#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3msp n GLN 2 N 0.00 1.98 -3.29 0.00 6.02 -1.26 -5.08 117.38 115.75 3msp n GLN 2 Ca 0.00 -4.51 -0.20 0.00 -0.01 0.00 0.00 57.00 52.28 3msp n GLN 2 Cb 0.00 -2.30 0.01 0.00 1.02 0.00 0.00 30.24 28.96 3msp n GLN 2 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3msp s SER 3 N -1.40 5.21 -0.03 1.08 0.01 -1.26 -5.14 113.70 112.18 3msp s SER 3 Ca 0.26 -0.72 0.00 0.00 1.31 0.00 0.00 55.95 56.80 3msp s SER 3 Cb -0.03 -0.27 0.03 0.00 0.21 0.00 0.00 66.02 65.95 3msp s SER 3 CO -0.16 -0.91 0.00 0.68 0.41 0.00 0.00 173.24 173.27 3msp s VAL 4 N -2.51 0.15 1.21 3.43 -7.23 -1.26 -5.16 120.40 109.03 3msp s VAL 4 Ca 0.52 0.11 -0.17 0.00 -1.81 0.00 0.00 61.98 60.63 3msp s VAL 4 Cb -0.06 -0.26 0.24 0.00 0.56 0.00 0.00 36.38 36.87 3msp s VAL 4 CO 0.31 0.14 0.61 -2.65 -0.31 0.00 0.00 175.10 173.20 3msp n PRO 5 N 4.20 -2.66 -1.67 4.82 -0.02 -1.26 -4.81 135.00 133.59 3msp n PRO 5 Ca -0.26 -0.76 -0.50 0.00 -2.02 0.00 0.00 63.50 59.96 3msp n PRO 5 Cb 0.50 -1.92 -0.05 0.00 -0.02 0.00 0.00 33.50 32.01 3msp n PRO 5 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3msp n PRO 6 N -3.97 1.97 -1.91 0.52 -0.02 -1.26 -4.89 135.00 125.44 3msp n PRO 6 Ca 0.03 0.71 -0.42 0.00 -2.02 0.00 0.00 63.50 61.81 3msp n PRO 6 Cb 0.56 -2.57 -0.03 0.00 -0.02 0.00 0.00 33.50 31.44 3msp n PRO 6 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3msp s GLY 7 N 4.33 1.74 -0.34 -1.23 0.00 -1.26 -4.85 107.32 105.70 3msp s GLY 7 Ca 0.95 1.41 -0.38 0.00 0.00 0.00 0.00 44.72 46.70 3msp s GLY 7 CO 0.53 2.58 2.04 1.22 0.00 0.00 0.00 173.10 179.47 3msp n ASP 8 N 3.44 2.03 -4.68 1.64 9.92 -1.26 -4.52 116.55 123.13 3msp n ASP 8 Ca 0.12 0.67 -0.41 0.00 -0.53 0.00 0.00 54.79 54.64 3msp n ASP 8 Cb 0.38 -1.17 -0.04 0.00 -0.64 0.00 0.00 41.12 39.65 3msp n ASP 8 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 3msp s ILE 9 N 5.91 4.92 0.29 0.53 -4.36 -1.26 -3.28 121.20 123.95 3msp s ILE 9 Ca 1.07 1.57 -0.29 0.00 -0.26 0.00 0.00 60.65 62.74 3msp s ILE 9 Cb -1.02 -4.11 -0.10 0.00 1.25 0.00 0.00 42.46 38.49 3msp s ILE 9 CO 0.57 0.07 1.31 0.20 0.24 0.00 0.00 174.94 177.33 3msp s ASN 10 N 1.11 6.81 0.06 4.36 0.01 -0.24 -4.82 114.94 122.23 3msp s ASN 10 Ca 0.37 2.60 0.02 0.00 -0.71 0.00 0.00 52.86 55.14 3msp s ASN 10 Cb -0.17 -2.64 -0.03 0.00 0.41 0.00 0.00 41.25 38.83 3msp s ASN 10 CO 0.13 -0.53 -0.07 0.42 -1.51 0.00 0.00 177.10 175.54 3msp s THR 11 N -0.71 0.53 -0.27 1.60 -4.23 -1.25 -1.21 115.64 110.10 3msp s THR 11 Ca 0.52 -1.35 -0.02 0.00 -1.18 0.00 0.00 61.69 59.66 3msp s THR 11 Cb -0.39 -0.93 0.11 0.00 1.34 0.00 0.00 72.50 72.63 3msp s THR 11 CO 0.48 -0.56 0.23 -1.10 -0.54 0.00 0.00 174.62 173.12 3msp s GLN 12 N -2.33 0.25 0.85 3.99 1.11 -0.15 -1.96 119.66 121.41 3msp s GLN 12 Ca -0.03 -0.18 -0.12 0.00 0.01 0.00 0.00 55.36 55.04 3msp s GLN 12 Cb -0.05 -0.96 0.11 0.00 -1.01 0.00 0.00 33.01 31.11 3msp s GLN 12 CO -0.02 -0.94 1.19 -1.25 0.01 0.00 0.00 175.29 174.28 3msp s PRO 13 N 2.27 1.37 -0.00 2.91 0.04 -1.26 -2.21 135.00 138.12 3msp s PRO 13 Ca 0.08 1.69 0.11 0.00 0.04 0.00 0.00 61.00 62.92 3msp s PRO 13 Cb -0.15 -1.75 -0.12 0.00 0.04 0.00 0.00 34.50 32.51 3msp s PRO 13 CO -0.29 -2.40 0.45 -1.13 0.04 0.00 0.00 177.00 173.67 3msp n SER 14 N -3.67 0.67 0.03 6.66 3.41 -0.83 -4.81 113.62 115.08 3msp n SER 14 Ca 0.13 -0.70 -0.01 0.00 -0.26 0.00 0.00 58.87 58.03 3msp n SER 14 Cb 0.51 1.04 -0.00 0.00 -0.26 0.00 0.00 64.21 65.50 3msp n SER 14 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3msp n GLN 15 N -1.31 0.04 -4.17 4.33 1.13 -1.26 -4.86 117.38 111.28 3msp n GLN 15 Ca 0.02 0.02 -0.15 0.00 -1.94 0.00 0.00 57.00 54.95 3msp n GLN 15 Cb 0.18 -0.51 -0.07 0.00 0.11 0.00 0.00 30.24 29.95 3msp n GLN 15 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3msp s LYS 16 N -1.93 1.62 -0.14 -1.09 1.02 -1.26 -4.34 119.74 113.62 3msp s LYS 16 Ca -0.02 -1.73 -0.06 0.00 0.02 0.00 0.00 55.97 54.18 3msp s LYS 16 Cb 0.00 0.36 0.06 0.00 -0.52 0.00 0.00 37.83 37.74 3msp s LYS 16 CO 0.04 -0.62 0.30 -1.50 -0.92 0.00 0.00 175.35 172.65 3msp s ILE 17 N -3.61 -0.33 -0.23 2.17 2.07 -0.97 -4.63 121.20 115.66 3msp s ILE 17 Ca 0.35 0.22 -0.03 0.00 -1.41 0.00 0.00 60.65 59.78 3msp s ILE 17 Cb 0.02 -0.48 0.01 0.00 0.13 0.00 0.00 42.46 42.14 3msp s ILE 17 CO 0.19 0.09 -0.05 -0.69 -1.91 0.00 0.00 174.94 172.56 3msp s VAL 18 N 2.10 3.14 -0.82 4.00 1.01 -1.26 -2.39 120.40 126.19 3msp s VAL 18 Ca -0.03 -0.72 -0.25 0.00 0.00 0.00 0.00 61.98 60.98 3msp s VAL 18 Cb -0.11 -2.49 0.02 0.00 0.00 0.00 0.00 36.38 33.79 3msp s VAL 18 CO -0.10 0.33 1.50 -0.36 0.00 0.00 0.00 175.10 176.48 3msp s PHE 19 N 1.41 2.19 0.14 5.22 0.40 -0.05 -4.83 117.98 122.47 3msp s PHE 19 Ca 0.04 -0.06 -0.31 0.00 -0.60 0.00 0.00 56.93 56.00 3msp s PHE 19 Cb -0.15 -4.49 -0.08 0.00 0.51 0.00 0.00 43.02 38.81 3msp s PHE 19 CO -0.04 -2.04 1.32 -0.80 0.70 0.00 0.00 175.22 174.35 3msp s ASN 20 N 5.31 6.91 1.17 1.36 0.01 -1.26 -1.98 114.94 126.47 3msp s ASN 20 Ca 0.48 2.30 -0.14 0.00 -0.71 0.00 0.00 52.86 54.78 3msp s ASN 20 Cb -0.06 -2.60 0.26 0.00 0.41 0.00 0.00 41.25 39.26 3msp s ASN 20 CO 0.07 -0.56 0.82 0.00 -1.51 0.00 0.00 177.10 175.92 3msp n ALA 21 N 3.37 -3.19 -2.36 0.60 0.00 -0.85 -4.80 120.51 113.27 3msp n ALA 21 Ca 0.09 -1.21 -0.26 0.00 0.00 0.00 0.00 53.44 52.05 3msp n ALA 21 Cb 0.43 -1.90 -0.00 0.00 0.00 0.00 0.00 19.45 17.98 3msp n ALA 21 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3msp s PRO 22 N -4.21 3.50 -0.70 0.00 0.04 -1.26 -5.07 135.00 127.30 3msp s PRO 22 Ca 0.66 0.05 -0.02 0.00 0.04 0.00 0.00 61.00 61.73 3msp s PRO 22 Cb -0.23 -2.45 0.33 0.00 0.04 0.00 0.00 34.50 32.19 3msp s PRO 22 CO 0.66 -0.14 2.14 0.66 0.04 0.00 0.00 177.00 180.36 3msp n TYR 23 N -2.15 2.75 -0.64 0.56 4.01 -1.26 -4.14 117.16 116.29 3msp n TYR 23 Ca -0.01 -2.45 0.00 0.00 -0.16 0.00 0.00 57.90 55.28 3msp n TYR 23 Cb 0.55 -1.28 0.00 0.00 -0.31 0.00 0.00 39.34 38.31 3msp n TYR 23 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3msp n ASP 24 N -0.38 0.69 0.00 7.72 2.03 -1.26 -1.78 116.55 123.57 3msp n ASP 24 Ca 0.54 -1.33 0.00 0.00 0.52 0.00 0.00 54.79 54.52 3msp n ASP 24 Cb 0.43 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.83 3msp n ASP 24 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 3msp n ASP 25 N -0.16 0.32 -1.53 1.67 -0.08 -1.26 -4.99 116.55 110.53 3msp n ASP 25 Ca 0.00 -0.64 0.00 0.00 -1.51 0.00 0.00 54.79 52.64 3msp n ASP 25 Cb 0.38 0.46 0.00 0.00 2.34 0.00 0.00 41.12 44.30 3msp n ASP 25 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 3msp n LYS 26 N -0.46 -4.32 -3.28 -0.67 5.02 -1.26 -5.02 118.16 108.16 3msp n LYS 26 Ca 0.00 3.16 -0.07 0.00 -2.02 0.00 0.00 58.31 59.38 3msp n LYS 26 Cb 0.02 -3.52 -0.05 0.00 -0.02 0.00 0.00 35.03 31.46 3msp n LYS 26 CO 0.00 0.00 0.00 -3.38 -0.52 0.00 0.00 177.40 173.50 3msp s HIS 27 N -2.49 -1.12 -0.61 2.13 -3.43 -1.26 -5.07 115.29 103.44 3msp s HIS 27 Ca 0.00 0.51 -0.27 0.00 -0.80 0.00 0.00 55.06 54.50 3msp s HIS 27 Cb 0.00 -0.06 0.01 0.00 -1.43 0.00 0.00 32.58 31.10 3msp s HIS 27 CO 0.00 -0.97 1.52 0.99 -2.00 0.00 0.00 174.74 174.28 3msp s THR 28 N 2.59 3.64 -0.25 -5.38 2.01 -1.26 -4.55 115.64 112.44 3msp s THR 28 Ca 0.10 0.48 -0.29 0.00 0.31 0.00 0.00 61.69 62.29 3msp s THR 28 Cb -0.12 -4.39 -0.01 0.00 0.01 0.00 0.00 72.50 67.99 3msp s THR 28 CO -0.28 -1.23 1.37 -0.31 -0.69 0.00 0.00 174.62 173.48 3msp s TYR 29 N 6.82 2.56 -0.25 4.92 1.51 -1.21 -4.75 117.35 126.95 3msp s TYR 29 Ca 0.53 0.80 -0.16 0.00 -1.01 0.00 0.00 57.07 57.23 3msp s TYR 29 Cb -0.11 -3.85 -0.03 0.00 -0.11 0.00 0.00 41.96 37.86 3msp s TYR 29 CO 0.22 -2.05 0.43 -1.01 -1.11 0.00 0.00 175.55 172.03 3msp s HIS 30 N 4.39 3.28 -0.20 2.71 3.76 -1.26 -0.84 115.29 127.12 3msp s HIS 30 Ca 0.60 0.53 -0.07 0.00 -0.15 0.00 0.00 55.06 55.97 3msp s HIS 30 Cb -0.20 -2.62 -0.04 0.00 1.11 0.00 0.00 32.58 30.84 3msp s HIS 30 CO 0.23 -0.20 0.07 0.42 -0.85 0.00 0.00 174.74 174.40 3msp s ILE 31 N 2.00 4.64 -0.20 0.60 1.01 -0.32 -4.79 121.20 124.13 3msp s ILE 31 Ca 0.18 -0.08 -0.18 0.00 0.00 0.00 0.00 60.65 60.57 3msp s ILE 31 Cb -0.16 -3.11 -0.03 0.00 0.01 0.00 0.00 42.46 39.17 3msp s ILE 31 CO 0.09 0.42 0.49 -0.75 0.00 0.00 0.00 174.94 175.19 3msp s LYS 32 N 0.77 4.19 0.25 2.79 2.47 -0.94 -1.16 119.74 128.12 3msp s LYS 32 Ca 0.03 0.36 0.12 0.00 -1.56 0.00 0.00 55.97 54.92 3msp s LYS 32 Cb -0.13 -3.55 -0.05 0.00 -1.46 0.00 0.00 37.83 32.64 3msp s LYS 32 CO 0.02 -0.11 -0.19 0.42 0.16 0.00 0.00 175.35 175.65 3msp s ILE 33 N 1.51 2.54 -0.02 5.43 1.01 -0.98 -0.98 121.20 129.71 3msp s ILE 33 Ca 0.23 -2.24 -0.29 0.00 0.00 0.00 0.00 60.65 58.35 3msp s ILE 33 Cb -0.15 -2.30 0.08 0.00 0.01 0.00 0.00 42.46 40.10 3msp s ILE 33 CO 0.09 -0.31 0.73 -0.89 0.00 0.00 0.00 174.94 174.57 3msp s THR 34 N -2.23 0.00 -0.44 2.92 2.01 -0.35 -2.07 115.64 115.48 3msp s THR 34 Ca 0.27 0.00 -0.18 0.00 0.31 0.00 0.00 61.69 62.09 3msp s THR 34 Cb -0.06 -1.00 0.03 0.00 0.01 0.00 0.00 72.50 71.48 3msp s THR 34 CO 0.14 0.00 0.50 0.21 -0.69 0.00 0.00 174.62 174.77 3msp s ASN 35 N -1.63 6.21 -0.19 3.53 3.04 -0.96 -1.08 114.94 123.85 3msp s ASN 35 Ca -0.06 -0.73 0.08 0.00 0.04 0.00 0.00 52.86 52.20 3msp s ASN 35 Cb -0.00 -2.25 0.53 0.00 -1.54 0.00 0.00 41.25 37.99 3msp s ASN 35 CO 0.02 -0.67 1.40 0.00 -3.04 0.00 0.00 177.10 174.81 3msp n ALA 36 N 5.76 3.68 -2.04 1.71 0.00 -1.20 -0.66 120.51 127.75 3msp n ALA 36 Ca -0.07 -1.42 0.00 0.00 0.00 0.00 0.00 53.44 51.95 3msp n ALA 36 Cb 0.47 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.79 3msp n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3msp n GLY 37 N 0.20 2.05 0.00 0.00 0.00 -1.26 -4.65 105.19 101.54 3msp n GLY 37 Ca 0.23 -1.85 -0.00 0.00 0.00 0.00 0.00 46.02 44.40 3msp n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3msp n GLY 38 N 5.00 -0.06 3.52 -0.02 0.00 -1.26 -4.53 105.19 107.84 3msp n GLY 38 Ca 0.00 -0.03 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 3msp n GLY 38 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3msp s ARG 39 N -2.06 1.77 0.99 1.61 1.70 -1.26 -4.50 118.95 117.20 3msp s ARG 39 Ca -0.01 -1.95 -0.11 0.00 -0.47 0.00 0.00 55.73 53.19 3msp s ARG 39 Cb 0.01 -1.40 0.16 0.00 -0.57 0.00 0.00 34.95 33.15 3msp s ARG 39 CO 0.06 -0.01 0.95 2.89 -1.08 0.00 0.00 175.30 178.11 3msp n ARG 40 N -0.78 -0.92 -3.74 3.89 1.85 -1.26 -4.30 116.66 111.41 3msp n ARG 40 Ca -0.05 -0.22 -0.13 0.00 -1.00 0.00 0.00 57.85 56.46 3msp n ARG 40 Cb 0.65 -2.22 -0.11 0.00 -1.05 0.00 0.00 32.46 29.73 3msp n ARG 40 CO 0.00 0.00 0.00 0.96 -0.01 0.00 0.00 177.63 178.58 3msp s ILE 41 N -2.53 -0.01 -0.40 8.89 -4.36 -0.86 -3.75 121.20 118.19 3msp s ILE 41 Ca 0.65 0.02 -0.15 0.00 -0.26 0.00 0.00 60.65 60.92 3msp s ILE 41 Cb -0.23 -0.52 0.01 0.00 1.25 0.00 0.00 42.46 42.97 3msp s ILE 41 CO 0.61 0.01 0.31 -0.83 0.24 0.00 0.00 174.94 175.28 3msp s GLY 42 N 0.45 1.98 0.21 6.27 0.00 -0.90 -2.33 107.32 113.01 3msp s GLY 42 Ca -0.02 -1.61 0.06 0.00 0.00 0.00 0.00 44.72 43.15 3msp s GLY 42 CO -0.02 0.93 0.19 0.66 0.00 0.00 0.00 173.10 174.85 3msp s TRP 43 N 1.76 3.16 -0.01 1.90 1.48 -0.40 -2.34 118.94 124.49 3msp s TRP 43 Ca 0.06 -0.06 -0.09 0.00 -1.06 0.00 0.00 56.10 54.96 3msp s TRP 43 Cb -0.18 -1.46 0.01 0.00 -1.16 0.00 0.00 33.47 30.67 3msp s TRP 43 CO 0.11 0.52 0.17 0.00 -4.06 0.00 0.00 176.95 173.69 3msp s ALA 44 N -1.96 -0.42 0.13 2.67 0.00 -0.59 -1.79 121.76 119.80 3msp s ALA 44 Ca 0.32 0.02 0.10 0.00 0.00 0.00 0.00 51.96 52.40 3msp s ALA 44 Cb -0.09 0.06 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 3msp s ALA 44 CO 0.25 -0.21 -0.25 0.42 0.00 0.00 0.00 175.76 175.97 3msp s ILE 45 N -1.22 2.09 -0.16 0.00 -1.09 -0.39 -2.17 121.20 118.26 3msp s ILE 45 Ca -0.13 -1.73 -0.13 0.00 -2.23 0.00 0.00 60.65 56.44 3msp s ILE 45 Cb -0.07 -1.88 0.05 0.00 -1.58 0.00 0.00 42.46 38.99 3msp s ILE 45 CO 0.02 0.01 0.42 -1.59 -1.23 0.00 0.00 174.94 172.57 3msp s LYS 46 N -2.10 0.46 0.18 2.79 -2.85 -0.90 -4.90 119.74 112.41 3msp s LYS 46 Ca 0.12 0.67 0.10 0.00 -1.00 0.00 0.00 55.97 55.87 3msp s LYS 46 Cb -0.10 0.13 -0.04 0.00 -2.06 0.00 0.00 37.83 35.77 3msp s LYS 46 CO 0.06 -0.10 -0.21 0.95 0.10 0.00 0.00 175.35 176.15 3msp s THR 47 N 0.71 2.10 0.41 3.79 -4.23 -1.26 -1.64 115.64 115.51 3msp s THR 47 Ca -0.04 -1.97 0.09 0.00 -1.18 0.00 0.00 61.69 58.59 3msp s THR 47 Cb -0.05 -1.98 0.20 0.00 1.34 0.00 0.00 72.50 72.01 3msp s THR 47 CO -0.05 -0.20 1.98 0.71 -0.54 0.00 0.00 174.62 176.52 3msp h THR 48 N 3.25 1.13 -3.75 3.99 1.35 -1.94 -3.38 112.91 113.56 3msp h THR 48 Ca -0.44 -0.50 -0.65 0.00 -0.55 0.00 0.00 66.41 64.27 3msp h THR 48 Cb 1.21 0.94 -0.38 0.00 -1.73 0.00 0.00 68.15 68.19 3msp h THR 48 CO 0.49 0.17 -0.78 0.21 -0.25 0.00 0.00 175.52 175.36 3msp s ASN 49 N -6.83 4.30 -0.32 5.36 2.47 -1.26 -4.97 114.94 113.69 3msp s ASN 49 Ca -0.06 -1.45 0.10 0.00 0.42 0.00 0.00 52.86 51.87 3msp s ASN 49 Cb 0.16 -1.42 0.69 0.00 -1.45 0.00 0.00 41.25 39.23 3msp s ASN 49 CO 0.73 -0.24 1.74 0.23 -3.72 0.00 0.00 177.10 175.84 3msp n MET 50 N 4.49 3.24 -0.09 0.43 2.81 -1.26 -3.50 117.12 123.24 3msp n MET 50 Ca -0.10 -3.07 -0.12 0.00 -1.81 0.00 0.00 57.70 52.59 3msp n MET 50 Cb 0.43 -2.13 -0.10 0.00 -0.71 0.00 0.00 33.22 30.72 3msp n MET 50 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3msp n ARG 51 N -0.44 0.68 -0.07 0.03 1.74 -1.26 -4.72 116.66 112.63 3msp n ARG 51 Ca 0.40 0.09 -0.07 0.00 -0.77 0.00 0.00 57.85 57.50 3msp n ARG 51 Cb 1.33 -1.39 -0.10 0.00 -1.02 0.00 0.00 32.46 31.28 3msp n ARG 51 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3msp n ARG 52 N -2.97 1.60 -3.56 5.56 5.12 -1.26 -4.93 116.66 116.22 3msp n ARG 52 Ca -0.33 0.01 -0.39 0.00 -1.93 0.00 0.00 57.85 55.22 3msp n ARG 52 Cb 0.89 -1.33 -0.11 0.00 -1.16 0.00 0.00 32.46 30.75 3msp n ARG 52 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3msp s LEU 53 N -5.15 4.20 -0.28 0.55 1.43 -1.23 -3.79 118.68 114.41 3msp s LEU 53 Ca -0.10 -0.15 0.02 0.00 -1.03 0.00 0.00 54.13 52.88 3msp s LEU 53 Cb 0.04 -2.14 0.07 0.00 0.03 0.00 0.00 46.19 44.20 3msp s LEU 53 CO 0.50 -0.12 -0.04 -0.44 0.23 0.00 0.00 176.35 176.47 3msp s SER 54 N 1.74 4.36 0.42 2.29 0.01 -0.97 -4.38 113.70 117.17 3msp s SER 54 Ca 0.07 -1.56 -0.12 0.00 1.31 0.00 0.00 55.95 55.65 3msp s SER 54 Cb -0.16 -1.44 -0.07 0.00 0.21 0.00 0.00 66.02 64.56 3msp s SER 54 CO 0.11 -0.26 0.81 -0.69 0.41 0.00 0.00 173.24 173.61 3msp s VAL 55 N 1.15 4.72 -0.29 3.43 1.01 -1.26 -1.76 120.40 127.40 3msp s VAL 55 Ca -0.02 0.78 -0.16 0.00 0.00 0.00 0.00 61.98 62.58 3msp s VAL 55 Cb -0.19 -3.72 0.17 0.00 0.00 0.00 0.00 36.38 32.64 3msp s VAL 55 CO -0.07 -0.52 1.09 -0.62 0.00 0.00 0.00 175.10 174.99 3msp s ASP 56 N -3.04 -0.32 0.12 3.32 -1.08 -0.87 -4.10 116.67 110.71 3msp s ASP 56 Ca 0.53 0.52 -0.31 0.00 -0.52 0.00 0.00 52.55 52.77 3msp s ASP 56 Cb -0.10 1.14 -0.07 0.00 -1.46 0.00 0.00 42.92 42.42 3msp s ASP 56 CO 0.30 -0.08 1.28 -2.84 0.52 0.00 0.00 175.17 174.34 3msp s PRO 57 N 1.23 4.40 0.13 4.34 0.02 -1.26 -1.28 135.00 142.58 3msp s PRO 57 Ca -0.09 1.93 -0.19 0.00 0.02 0.00 0.00 61.00 62.68 3msp s PRO 57 Cb -0.03 -3.27 -0.02 0.00 0.02 0.00 0.00 34.50 31.19 3msp s PRO 57 CO -0.13 -0.28 1.75 -1.35 -0.33 0.00 0.00 177.00 176.66 3msp h PRO 58 N 6.27 0.19 0.00 5.54 0.11 -1.95 -3.46 132.00 138.70 3msp h PRO 58 Ca -0.43 -0.01 -0.47 0.00 0.11 0.00 0.00 66.00 65.20 3msp h PRO 58 Cb 1.21 -0.04 -0.11 0.00 0.11 0.00 0.00 31.00 32.16 3msp h PRO 58 CO 0.81 0.13 -0.43 0.00 -0.21 0.00 0.00 178.00 178.30 3msp n GLY 60 N -0.58 -0.84 3.07 0.00 0.00 -0.74 -4.99 105.19 101.11 3msp n GLY 60 Ca 0.02 -1.33 -0.12 0.00 0.00 0.00 0.00 46.02 44.59 3msp n GLY 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3msp s VAL 61 N -2.86 0.02 -0.02 1.61 1.01 -1.26 -1.27 120.40 117.64 3msp s VAL 61 Ca 0.00 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 61.81 3msp s VAL 61 Cb 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 36.38 36.08 3msp s VAL 61 CO 0.00 -0.11 -0.07 -1.48 0.00 0.00 0.00 175.10 173.44 3msp s LEU 62 N -0.33 1.82 0.00 3.92 2.34 -0.98 -4.94 118.68 120.51 3msp s LEU 62 Ca -0.04 -0.14 -0.22 0.00 0.06 0.00 0.00 54.13 53.79 3msp s LEU 62 Cb -0.03 -0.42 0.34 0.00 -0.56 0.00 0.00 46.19 45.52 3msp s LEU 62 CO 0.01 0.05 0.96 0.47 -1.06 0.00 0.00 176.35 176.78 3msp n ASP 63 N 3.23 -3.15 -4.64 1.48 9.92 -1.26 -2.02 116.55 120.11 3msp n ASP 63 Ca -0.17 -1.01 -0.42 0.00 -0.53 0.00 0.00 54.79 52.66 3msp n ASP 63 Cb 0.55 -0.98 -0.03 0.00 -0.64 0.00 0.00 41.12 40.02 3msp n ASP 63 CO 0.00 0.00 0.00 -2.84 0.13 0.00 0.00 177.20 174.49 3msp s PRO 64 N -5.24 3.77 -0.68 -0.24 0.02 -1.26 -1.80 135.00 129.58 3msp s PRO 64 Ca 0.68 2.30 0.00 0.00 0.02 0.00 0.00 61.00 64.00 3msp s PRO 64 Cb -0.09 -4.21 0.00 0.00 0.02 0.00 0.00 34.50 30.22 3msp s PRO 64 CO 0.54 -1.37 0.00 1.17 -0.33 0.00 0.00 177.00 177.01 3msp n LYS 65 N 7.94 -0.63 -3.26 5.54 4.81 0.16 -5.02 118.16 127.71 3msp n LYS 65 Ca 0.23 0.39 -0.30 0.00 -0.87 0.00 0.00 58.31 57.76 3msp n LYS 65 Cb 0.43 -4.32 -0.04 0.00 0.02 0.00 0.00 35.03 31.12 3msp n LYS 65 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 3msp s GLU 66 N -4.36 3.72 -0.00 1.64 2.02 -0.74 -4.81 118.70 116.16 3msp s GLU 66 Ca 0.00 0.19 0.05 0.00 0.02 0.00 0.00 54.97 55.23 3msp s GLU 66 Cb 0.00 -2.59 -0.03 0.00 0.10 0.00 0.00 34.13 31.61 3msp s GLU 66 CO 0.00 0.19 -0.16 0.15 0.02 0.00 0.00 175.26 175.46 3msp s LYS 67 N -3.39 2.28 -0.05 1.61 1.02 -1.26 -2.28 119.74 117.68 3msp s LYS 67 Ca 0.47 -0.84 -0.02 0.00 0.02 0.00 0.00 55.97 55.59 3msp s LYS 67 Cb -0.11 -2.27 0.04 0.00 -0.52 0.00 0.00 37.83 34.96 3msp s LYS 67 CO 0.27 0.58 0.11 0.54 -0.92 0.00 0.00 175.35 175.93 3msp s VAL 68 N -0.83 -0.06 0.18 3.17 0.11 -0.88 -5.02 120.40 117.08 3msp s VAL 68 Ca 0.13 0.20 -0.24 0.00 -2.93 0.00 0.00 61.98 59.14 3msp s VAL 68 Cb -0.11 -0.19 -0.08 0.00 -1.53 0.00 0.00 36.38 34.48 3msp s VAL 68 CO 0.03 0.08 0.75 -0.22 -3.33 0.00 0.00 175.10 172.41 3msp s LEU 69 N 1.16 4.52 0.17 2.54 2.96 -1.26 -2.31 118.68 126.47 3msp s LEU 69 Ca -0.09 1.57 0.07 0.00 -0.22 0.00 0.00 54.13 55.46 3msp s LEU 69 Cb -0.12 -3.35 -0.04 0.00 0.50 0.00 0.00 46.19 43.17 3msp s LEU 69 CO -0.05 0.17 -0.14 -0.32 -1.32 0.00 0.00 176.35 174.68 3msp s MET 70 N -1.37 1.22 0.02 1.98 -2.45 -0.31 -4.26 119.30 114.14 3msp s MET 70 Ca 0.37 -1.47 -0.00 0.00 -1.25 0.00 0.00 55.69 53.35 3msp s MET 70 Cb -0.21 -1.04 -0.02 0.00 1.25 0.00 0.00 34.83 34.80 3msp s MET 70 CO 0.24 0.18 -0.03 0.00 1.05 0.00 0.00 175.02 176.46 3msp s ALA 71 N -2.69 0.17 -0.49 4.11 0.00 -0.41 -1.18 121.76 121.28 3msp s ALA 71 Ca 0.18 -0.66 0.03 0.00 0.00 0.00 0.00 51.96 51.51 3msp s ALA 71 Cb -0.02 0.16 0.15 0.00 0.00 0.00 0.00 23.12 23.41 3msp s ALA 71 CO 0.05 -0.18 0.33 0.08 0.00 0.00 0.00 175.76 176.04 3msp s VAL 72 N -1.71 1.41 0.25 0.00 1.01 -0.02 -2.04 120.40 119.29 3msp s VAL 72 Ca -0.13 -2.96 -0.31 0.00 0.00 0.00 0.00 61.98 58.57 3msp s VAL 72 Cb -0.08 -1.96 -0.12 0.00 0.00 0.00 0.00 36.38 34.21 3msp s VAL 72 CO -0.02 -1.02 1.55 -1.20 0.00 0.00 0.00 175.10 174.41 3msp n SER 73 N 2.99 3.45 -3.42 3.32 7.64 -0.72 -3.36 113.62 123.52 3msp n SER 73 Ca 0.17 1.13 -0.26 0.00 1.01 0.00 0.00 58.87 60.92 3msp n SER 73 Cb 0.38 -1.52 -0.11 0.00 -1.01 0.00 0.00 64.21 61.96 3msp n SER 73 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3msp n ASP 75 N 3.82 -0.95 -4.65 0.00 9.92 -1.25 -4.20 116.55 119.24 3msp n ASP 75 Ca 0.16 0.64 -0.42 0.00 -0.53 0.00 0.00 54.79 54.63 3msp n ASP 75 Cb 0.41 -1.23 -0.03 0.00 -0.64 0.00 0.00 41.12 39.63 3msp n ASP 75 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3msp s THR 76 N -1.84 3.54 0.00 -3.53 -4.23 -1.26 -4.92 115.64 103.40 3msp s THR 76 Ca 0.67 0.63 0.00 0.00 -1.18 0.00 0.00 61.69 61.81 3msp s THR 76 Cb -0.37 -3.47 0.00 0.00 1.34 0.00 0.00 72.50 69.99 3msp s THR 76 CO 0.56 -0.13 0.00 2.22 -0.54 0.00 0.00 174.62 176.73 3msp n PHE 77 N 7.91 0.00 -4.18 3.99 -1.74 -0.73 -4.96 117.46 117.76 3msp n PHE 77 Ca 0.19 0.00 -0.16 0.00 -0.56 0.00 0.00 57.45 56.91 3msp n PHE 77 Cb 0.44 0.00 -0.15 0.00 1.52 0.00 0.00 39.48 41.29 3msp n PHE 77 CO 0.00 0.00 0.00 1.21 -0.56 0.00 0.00 176.76 177.41 3msp s ASN 78 N 0.20 0.67 -0.14 5.98 2.47 -1.26 -4.52 114.94 118.34 3msp s ASN 78 Ca 0.00 -0.10 0.10 0.00 0.42 0.00 0.00 52.86 53.28 3msp s ASN 78 Cb 0.00 -0.10 0.55 0.00 -1.45 0.00 0.00 41.25 40.24 3msp s ASN 78 CO 0.00 0.06 1.36 0.00 -3.72 0.00 0.00 177.10 174.79 3msp n ALA 79 N 3.05 3.31 -0.04 1.71 0.00 -1.26 -3.62 120.51 123.67 3msp n ALA 79 Ca -0.14 -1.25 -0.02 0.00 0.00 0.00 0.00 53.44 52.03 3msp n ALA 79 Cb 0.57 -1.07 -0.14 0.00 0.00 0.00 0.00 19.45 18.81 3msp n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3msp n ALA 80 N 0.50 1.94 -2.70 0.00 0.00 -1.26 -4.64 120.51 114.36 3msp n ALA 80 Ca 0.19 -0.88 -0.06 0.00 0.00 0.00 0.00 53.44 52.68 3msp n ALA 80 Cb 0.84 -0.58 0.08 0.00 0.00 0.00 0.00 19.45 19.79 3msp n ALA 80 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3msp n THR 81 N -2.69 0.52 -4.19 0.00 -2.24 -1.26 -5.12 114.28 99.31 3msp n THR 81 Ca -0.18 -2.21 -0.11 0.00 -2.27 0.00 0.00 64.05 59.28 3msp n THR 81 Cb 0.92 0.90 -0.10 0.00 -2.10 0.00 0.00 70.33 69.95 3msp n THR 81 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3msp s GLU 82 N -1.54 1.03 0.02 -0.78 0.41 -1.24 -5.01 118.70 111.59 3msp s GLU 82 Ca 0.23 -1.50 -0.36 0.00 -0.41 0.00 0.00 54.97 52.93 3msp s GLU 82 Cb 0.42 0.08 -0.15 0.00 -1.78 0.00 0.00 34.13 32.70 3msp s GLU 82 CO -0.04 -0.24 1.55 -3.47 -0.49 0.00 0.00 175.26 172.57 3msp n ASP 83 N -0.17 2.43 -3.16 -0.19 2.03 -1.26 -4.94 116.55 111.30 3msp n ASP 83 Ca -0.05 1.08 -0.13 0.00 0.52 0.00 0.00 54.79 56.22 3msp n ASP 83 Cb 0.64 -1.27 -0.05 0.00 -0.72 0.00 0.00 41.12 39.72 3msp n ASP 83 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3msp s LEU 84 N 1.61 -0.35 -0.13 -2.67 1.43 -1.26 -4.96 118.68 112.35 3msp s LEU 84 Ca 0.86 -1.89 0.15 0.00 -1.03 0.00 0.00 54.13 52.21 3msp s LEU 84 Cb -0.86 0.94 0.33 0.00 0.03 0.00 0.00 46.19 46.62 3msp s LEU 84 CO 0.48 -0.16 1.16 0.59 0.23 0.00 0.00 176.35 178.66 3msp n ASN 85 N 3.50 1.68 -1.90 2.29 4.13 -1.26 -5.03 115.26 118.67 3msp n ASN 85 Ca 0.18 -3.17 -0.01 0.00 1.68 0.00 0.00 54.58 53.26 3msp n ASN 85 Cb 0.51 -0.43 -0.01 0.00 -1.54 0.00 0.00 39.78 38.31 3msp n ASN 85 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3msp n ASN 86 N -0.93 -3.07 -4.77 6.41 3.02 -1.26 -5.00 115.26 109.66 3msp n ASN 86 Ca 0.14 0.48 -0.36 0.00 -0.03 0.00 0.00 54.58 54.81 3msp n ASN 86 Cb 0.73 -2.47 -0.01 0.00 -0.61 0.00 0.00 39.78 37.42 3msp n ASN 86 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3msp s ASP 87 N -0.43 6.09 -0.04 6.41 2.15 -1.26 -4.94 116.67 124.65 3msp s ASP 87 Ca -0.04 2.23 -0.03 0.00 0.43 0.00 0.00 52.55 55.15 3msp s ASP 87 Cb 0.00 -2.59 0.02 0.00 -0.30 0.00 0.00 42.92 40.05 3msp s ASP 87 CO 0.27 -0.97 0.09 -0.13 -0.17 0.00 0.00 175.17 174.26 3msp s ARG 88 N -2.88 0.09 -0.56 4.34 0.52 -1.26 -1.68 118.95 117.51 3msp s ARG 88 Ca 0.66 0.17 -0.05 0.00 -0.52 0.00 0.00 55.73 55.99 3msp s ARG 88 Cb -0.26 -0.02 0.15 0.00 0.52 0.00 0.00 34.95 35.34 3msp s ARG 88 CO 0.31 -0.05 0.40 0.42 0.02 0.00 0.00 175.30 176.40 3msp s ILE 89 N 0.33 3.89 0.26 1.52 1.01 -1.04 -3.50 121.20 123.67 3msp s ILE 89 Ca -0.02 -2.47 -0.30 0.00 0.00 0.00 0.00 60.65 57.86 3msp s ILE 89 Cb -0.04 -3.55 -0.09 0.00 0.01 0.00 0.00 42.46 38.79 3msp s ILE 89 CO -0.01 -0.83 0.99 -0.89 0.00 0.00 0.00 174.94 174.20 3msp s THR 90 N 0.53 3.89 -0.19 2.92 2.01 -0.65 -1.85 115.64 122.30 3msp s THR 90 Ca 0.13 1.89 -0.02 0.00 0.31 0.00 0.00 61.69 64.00 3msp s THR 90 Cb -0.21 -4.19 0.06 0.00 0.01 0.00 0.00 72.50 68.16 3msp s THR 90 CO -0.04 0.44 0.01 -0.63 -0.69 0.00 0.00 174.62 173.71 3msp s ILE 91 N -1.20 0.70 -0.17 1.82 1.09 -0.64 -2.12 121.20 120.68 3msp s ILE 91 Ca 0.43 -0.61 -0.00 0.00 -1.10 0.00 0.00 60.65 59.37 3msp s ILE 91 Cb -0.27 -1.12 -0.00 0.00 -1.06 0.00 0.00 42.46 40.00 3msp s ILE 91 CO 0.34 -0.13 -0.14 -1.83 -0.10 0.00 0.00 174.94 173.08 3msp s GLU 92 N 1.78 3.23 0.01 2.79 1.03 -0.92 -1.94 118.70 124.67 3msp s GLU 92 Ca -0.01 -0.73 0.03 0.00 0.03 0.00 0.00 54.97 54.28 3msp s GLU 92 Cb -0.17 -2.68 -0.01 0.00 -0.80 0.00 0.00 34.13 30.48 3msp s GLU 92 CO -0.07 -0.02 -0.09 1.67 -1.33 0.00 0.00 175.26 175.41 3msp s TRP 93 N 0.92 0.79 -0.00 4.83 -2.14 -0.91 -1.54 118.94 120.89 3msp s TRP 93 Ca -0.03 -0.21 -0.02 0.00 2.66 0.00 0.00 56.10 58.50 3msp s TRP 93 Cb -0.15 -0.50 -0.00 0.00 -3.10 0.00 0.00 33.47 29.72 3msp s TRP 93 CO -0.02 -0.01 0.03 -0.08 -2.66 0.00 0.00 176.95 174.21 3msp s THR 94 N -0.43 0.05 0.23 0.66 -1.32 -0.99 -2.24 115.64 111.59 3msp s THR 94 Ca 0.01 -0.42 -0.31 0.00 -1.21 0.00 0.00 61.69 59.75 3msp s THR 94 Cb -0.05 -0.19 -0.12 0.00 -1.51 0.00 0.00 72.50 70.64 3msp s THR 94 CO 0.00 -0.23 1.67 0.20 -2.21 0.00 0.00 174.62 174.05 3msp s ASN 95 N -0.71 6.40 0.34 8.08 0.01 -1.26 -2.12 114.94 125.68 3msp s ASN 95 Ca -0.08 2.86 -0.27 0.00 -0.71 0.00 0.00 52.86 54.66 3msp s ASN 95 Cb -0.05 -2.61 -0.09 0.00 0.41 0.00 0.00 41.25 38.91 3msp s ASN 95 CO -0.00 -0.94 1.10 0.42 -1.51 0.00 0.00 177.10 176.17 3msp s THR 96 N 0.86 3.46 1.00 1.60 -4.23 -1.25 -4.93 115.64 112.16 3msp s THR 96 Ca 0.71 1.32 -0.15 0.00 -1.18 0.00 0.00 61.69 62.39 3msp s THR 96 Cb -0.49 -3.78 0.03 0.00 1.34 0.00 0.00 72.50 69.60 3msp s THR 96 CO 0.36 0.20 0.15 -2.65 -0.54 0.00 0.00 174.62 172.15 3msp n PRO 97 N 0.61 -0.60 -1.66 3.99 -0.02 -1.26 -4.71 135.00 131.36 3msp n PRO 97 Ca 0.02 -0.14 -0.56 0.00 -2.02 0.00 0.00 63.50 60.79 3msp n PRO 97 Cb 0.46 -1.72 -0.07 0.00 -0.02 0.00 0.00 33.50 32.15 3msp n PRO 97 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3msp n ASP 98 N -0.90 2.36 -3.78 2.55 8.00 -1.26 -0.67 116.55 122.85 3msp n ASP 98 Ca 0.04 0.97 -0.25 0.00 0.71 0.00 0.00 54.79 56.26 3msp n ASP 98 Cb 0.57 -1.16 0.03 0.00 -0.02 0.00 0.00 41.12 40.54 3msp n ASP 98 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3msp n GLY 99 N 4.67 -0.38 3.59 0.44 0.00 -1.26 -4.94 105.19 107.30 3msp n GLY 99 Ca 0.29 0.16 -0.29 0.00 0.00 0.00 0.00 46.02 46.18 3msp n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3msp s ALA 100 N -3.51 0.41 0.84 4.61 0.00 0.16 -5.00 121.76 119.27 3msp s ALA 100 Ca 0.29 -0.11 -0.11 0.00 0.00 0.00 0.00 51.96 52.03 3msp s ALA 100 Cb -0.14 -3.22 0.09 0.00 0.00 0.00 0.00 23.12 19.85 3msp s ALA 100 CO 0.82 -3.24 1.09 0.00 0.00 0.00 0.00 175.76 174.43 3msp s ALA 101 N -2.69 1.90 -1.30 0.00 0.00 -1.26 -4.93 121.76 113.48 3msp s ALA 101 Ca 0.67 -0.02 -0.10 0.00 0.00 0.00 0.00 51.96 52.51 3msp s ALA 101 Cb -0.22 -3.19 0.15 0.00 0.00 0.00 0.00 23.12 19.86 3msp s ALA 101 CO 0.61 -2.04 1.93 1.17 0.00 0.00 0.00 175.76 177.42 3msp n LYS 102 N -3.68 3.56 0.00 0.00 4.81 -1.26 -4.84 118.16 116.75 3msp n LYS 102 Ca 0.07 -3.42 0.00 0.00 -0.87 0.00 0.00 58.31 54.09 3msp n LYS 102 Cb 0.55 -2.96 0.00 0.00 0.02 0.00 0.00 35.03 32.64 3msp n LYS 102 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 3msp n GLN 103 N 4.04 0.00 -2.13 1.64 7.27 -1.26 -5.11 117.38 121.83 3msp n GLN 103 Ca 0.41 0.00 -0.43 0.00 0.07 0.00 0.00 57.00 57.06 3msp n GLN 103 Cb 0.36 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 32.99 3msp n GLN 103 CO 0.00 0.00 0.00 0.12 0.07 0.00 0.00 177.06 177.25 3msp s PHE 104 N -1.68 2.17 0.16 3.69 2.19 -1.26 -5.00 117.98 118.25 3msp s PHE 104 Ca 0.00 0.52 0.03 0.00 0.33 0.00 0.00 56.93 57.81 3msp s PHE 104 Cb 0.00 -3.91 -0.04 0.00 -1.31 0.00 0.00 43.02 37.77 3msp s PHE 104 CO 0.00 -2.98 0.26 0.50 1.83 0.00 0.00 175.22 174.83 3msp s ARG 105 N 4.38 3.35 0.17 10.12 6.06 -1.26 -5.02 118.95 136.74 3msp s ARG 105 Ca 0.70 -0.65 0.15 0.00 -2.50 0.00 0.00 55.73 53.42 3msp s ARG 105 Cb -0.26 -2.91 -0.05 0.00 0.06 0.00 0.00 34.95 31.79 3msp s ARG 105 CO 0.27 0.51 1.17 -0.09 -2.50 0.00 0.00 175.30 174.67 3msp h ARG 106 N 2.15 0.00 0.00 5.12 9.65 -2.00 -3.28 114.38 126.02 3msp h ARG 106 Ca -0.48 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.38 3msp h ARG 106 Cb 1.20 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.77 3msp h ARG 106 CO 0.67 0.48 -0.08 1.49 2.80 0.00 0.00 179.97 185.34 3msp h GLU 107 N 0.00 0.00 0.00 0.20 4.81 -1.98 -2.40 114.58 115.21 3msp h GLU 107 Ca -0.07 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3msp h GLU 107 Cb 1.52 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.90 3msp h GLU 107 CO 0.07 0.08 0.03 -1.49 -0.73 0.00 0.00 179.01 176.96 3msp h TRP 108 N 0.00 0.00 -0.58 0.92 6.55 -1.99 -1.57 115.95 119.27 3msp h TRP 108 Ca -0.00 0.00 -0.42 0.00 0.95 0.00 0.00 58.89 59.42 3msp h TRP 108 Cb 0.35 0.00 -0.38 0.00 -0.86 0.00 0.00 29.16 28.27 3msp h TRP 108 CO 0.00 0.00 -0.86 1.19 -1.05 0.00 0.00 178.44 177.72 3msp n PHE 109 N -2.70 2.06 -1.76 0.49 3.01 -0.90 -4.76 117.46 112.91 3msp n PHE 109 Ca -0.02 -2.07 -0.12 0.00 1.01 0.00 0.00 57.45 56.25 3msp n PHE 109 Cb 0.08 -0.30 0.11 0.00 -0.01 0.00 0.00 39.48 39.36 3msp n PHE 109 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 3msp n GLN 110 N -0.69 2.64 -4.17 -1.08 1.13 -0.59 -5.03 117.38 109.58 3msp n GLN 110 Ca 0.32 -3.69 -0.14 0.00 -1.94 0.00 0.00 57.00 51.55 3msp n GLN 110 Cb 0.91 -2.00 -0.07 0.00 0.11 0.00 0.00 30.24 29.19 3msp n GLN 110 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3msp s GLY 111 N -3.22 1.57 -0.08 1.08 0.00 -1.26 -5.09 107.32 100.32 3msp s GLY 111 Ca 0.47 -1.64 -0.09 0.00 0.00 0.00 0.00 44.72 43.45 3msp s GLY 111 CO -0.01 -1.21 0.23 0.99 0.00 0.00 0.00 173.10 173.10 3msp s ASP 112 N -3.22 6.53 0.00 1.64 1.11 -1.26 -4.97 116.67 116.50 3msp s ASP 112 Ca 0.35 0.63 0.00 0.00 0.18 0.00 0.00 52.55 53.71 3msp s ASP 112 Cb 0.03 -2.13 0.00 0.00 1.07 0.00 0.00 42.92 41.89 3msp s ASP 112 CO 0.18 0.38 0.00 0.61 1.18 0.00 0.00 175.17 177.52 3msp n GLY 113 N 1.89 -1.73 1.43 0.21 0.00 -1.26 -5.06 105.19 100.67 3msp n GLY 113 Ca -0.18 -1.52 0.17 0.00 0.00 0.00 0.00 46.02 44.50 3msp n GLY 113 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3msp n MET 114 N -2.08 -3.16 -0.02 1.61 0.00 -1.26 -5.05 117.12 107.16 3msp n MET 114 Ca 0.00 2.50 0.00 0.00 0.00 0.00 0.00 57.70 60.20 3msp n MET 114 Cb 0.00 -3.75 0.00 0.00 0.00 0.00 0.00 33.22 29.47 3msp n MET 114 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 3msp n VAL 115 N -4.29 -0.91 -4.25 1.12 0.31 -1.26 -5.05 118.33 104.01 3msp n VAL 115 Ca -0.07 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 63.93 3msp n VAL 115 Cb 0.67 -0.91 -0.08 0.00 -0.91 0.00 0.00 33.84 32.61 3msp n VAL 115 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3msp s ARG 116 N -4.08 2.88 -0.27 5.55 6.06 -0.95 -4.95 118.95 123.20 3msp s ARG 116 Ca 0.00 -0.55 -0.02 0.00 -2.50 0.00 0.00 55.73 52.66 3msp s ARG 116 Cb 0.00 -2.73 0.09 0.00 0.06 0.00 0.00 34.95 32.36 3msp s ARG 116 CO 0.00 0.64 0.08 0.50 -2.50 0.00 0.00 175.30 174.02 3msp s ARG 117 N -1.51 0.62 -0.14 5.12 3.52 -1.26 -2.15 118.95 123.15 3msp s ARG 117 Ca 0.19 -0.77 -0.03 0.00 -0.13 0.00 0.00 55.73 55.00 3msp s ARG 117 Cb -0.12 -1.90 -0.03 0.00 -1.56 0.00 0.00 34.95 31.35 3msp s ARG 117 CO 0.10 -0.87 -0.05 -1.59 -0.81 0.00 0.00 175.30 172.07 3msp s LYS 118 N 1.77 3.50 -0.06 5.12 -2.85 -0.82 -4.95 119.74 121.46 3msp s LYS 118 Ca 0.06 -0.54 -0.05 0.00 -1.00 0.00 0.00 55.97 54.44 3msp s LYS 118 Cb -0.17 -2.83 -0.04 0.00 -2.06 0.00 0.00 37.83 32.73 3msp s LYS 118 CO -0.21 0.30 0.16 -0.80 0.10 0.00 0.00 175.35 174.90 3msp s ASN 119 N 0.18 6.35 -0.48 0.03 0.01 -1.26 -1.62 114.94 118.15 3msp s ASN 119 Ca -0.03 0.39 0.00 0.00 -0.71 0.00 0.00 52.86 52.52 3msp s ASN 119 Cb -0.14 -2.02 0.13 0.00 0.41 0.00 0.00 41.25 39.63 3msp s ASN 119 CO 0.03 0.33 0.25 -0.76 -1.51 0.00 0.00 177.10 175.44 3msp s LEU 120 N -1.52 4.94 0.30 0.60 1.43 -0.77 -4.92 118.68 118.73 3msp s LEU 120 Ca 0.22 -2.52 -0.29 0.00 -1.03 0.00 0.00 54.13 50.51 3msp s LEU 120 Cb -0.12 -1.75 -0.13 0.00 0.03 0.00 0.00 46.19 44.21 3msp s LEU 120 CO 0.12 -0.39 1.19 -2.65 0.23 0.00 0.00 176.35 174.85 3msp n PRO 121 N 3.86 1.78 -3.92 1.29 -0.02 -1.26 -2.50 135.00 134.24 3msp n PRO 121 Ca 0.04 0.63 -0.35 0.00 -2.02 0.00 0.00 63.50 61.79 3msp n PRO 121 Cb 0.38 -2.13 -0.14 0.00 -0.02 0.00 0.00 33.50 31.59 3msp n PRO 121 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3msp s ILE 122 N -0.93 3.01 -0.15 4.25 -1.09 -0.68 -2.29 121.20 123.32 3msp s ILE 122 Ca 0.59 -1.23 -0.01 0.00 -2.23 0.00 0.00 60.65 57.76 3msp s ILE 122 Cb -0.64 -2.65 -0.01 0.00 -1.58 0.00 0.00 42.46 37.57 3msp s ILE 122 CO 0.60 0.00 -0.10 -1.61 -1.23 0.00 0.00 174.94 172.60 3msp s GLU 123 N 1.29 3.43 -0.50 2.79 8.01 -1.00 -4.04 118.70 128.68 3msp s GLU 123 Ca -0.03 -0.65 -0.22 0.00 0.01 0.00 0.00 54.97 54.08 3msp s GLU 123 Cb -0.19 -2.75 0.04 0.00 -4.31 0.00 0.00 34.13 26.92 3msp s GLU 123 CO -0.02 0.13 0.79 0.71 0.01 0.00 0.00 175.26 176.88 3msp s TYR 124 N 0.58 2.94 -1.32 1.61 2.02 -1.26 -0.87 117.35 121.04 3msp s TYR 124 Ca -0.06 -0.09 -0.16 0.00 -0.37 0.00 0.00 57.07 56.39 3msp s TYR 124 Cb -0.15 -3.75 0.09 0.00 -0.40 0.00 0.00 41.96 37.75 3msp s TYR 124 CO 0.03 -1.12 1.82 0.09 -1.57 0.00 0.00 175.55 174.80 3msp n ASN 125 N 6.81 4.74 0.00 2.29 3.02 -0.84 -4.96 115.26 126.33 3msp n ASN 125 Ca -0.00 -2.92 0.00 0.00 -0.03 0.00 0.00 54.58 51.62 3msp n ASN 125 Cb 0.47 -1.68 0.00 0.00 -0.61 0.00 0.00 39.78 37.96 3msp n ASN 125 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82