#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3msp s GLN 2 N 0.00 4.03 0.80 0.00 0.74 -1.26 -5.02 119.66 118.95 3msp s GLN 2 Ca 0.00 -2.74 -0.10 0.00 0.05 0.00 0.00 55.36 52.57 3msp s GLN 2 Cb 0.00 -4.77 0.10 0.00 1.10 0.00 0.00 33.01 29.44 3msp s GLN 2 CO 0.00 -1.50 1.14 -1.12 -0.55 0.00 0.00 175.29 173.25 3msp s SER 3 N 2.23 4.29 -0.02 6.67 0.01 -1.26 -5.11 113.70 120.53 3msp s SER 3 Ca 0.34 0.46 -0.01 0.00 1.31 0.00 0.00 55.95 58.05 3msp s SER 3 Cb -0.07 -0.90 0.01 0.00 0.21 0.00 0.00 66.02 65.28 3msp s SER 3 CO -0.05 -1.98 0.03 0.68 0.41 0.00 0.00 173.24 172.34 3msp s VAL 4 N -3.49 -0.02 0.89 3.43 -7.23 -1.26 -5.16 120.40 107.55 3msp s VAL 4 Ca 0.64 0.08 -0.12 0.00 -1.81 0.00 0.00 61.98 60.77 3msp s VAL 4 Cb -0.09 -0.07 0.13 0.00 0.56 0.00 0.00 36.38 36.91 3msp s VAL 4 CO 0.48 0.03 1.12 -2.16 -0.31 0.00 0.00 175.10 174.26 3msp s PRO 5 N 0.43 1.30 -0.00 4.82 0.04 -1.26 -4.80 135.00 135.53 3msp s PRO 5 Ca -0.03 0.44 -0.30 0.00 0.04 0.00 0.00 61.00 61.14 3msp s PRO 5 Cb -0.05 -1.84 -0.06 0.00 0.04 0.00 0.00 34.50 32.59 3msp s PRO 5 CO -0.01 -2.12 1.49 -1.25 0.04 0.00 0.00 177.00 175.15 3msp s PRO 6 N -5.19 4.24 -0.36 0.56 0.04 -1.26 -4.89 135.00 128.14 3msp s PRO 6 Ca 0.63 2.06 -0.37 0.00 0.04 0.00 0.00 61.00 63.36 3msp s PRO 6 Cb -0.15 -3.66 -0.13 0.00 0.04 0.00 0.00 34.50 30.60 3msp s PRO 6 CO 0.54 -0.66 2.13 0.41 0.04 0.00 0.00 177.00 179.47 3msp n GLY 7 N 3.80 0.42 3.69 0.56 0.00 -1.26 -4.80 105.19 107.59 3msp n GLY 7 Ca 0.14 0.97 -0.50 0.00 0.00 0.00 0.00 46.02 46.63 3msp n GLY 7 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3msp n ASP 8 N 8.96 3.30 -4.72 1.61 8.00 -1.26 -4.39 116.55 128.04 3msp n ASP 8 Ca 0.42 0.99 -0.40 0.00 0.71 0.00 0.00 54.79 56.51 3msp n ASP 8 Cb 0.17 -1.34 -0.05 0.00 -0.02 0.00 0.00 41.12 39.89 3msp n ASP 8 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3msp s ILE 9 N 3.97 5.02 0.43 0.53 -5.25 -1.26 -3.41 121.20 121.22 3msp s ILE 9 Ca 0.93 1.44 -0.18 0.00 -0.99 0.00 0.00 60.65 61.85 3msp s ILE 9 Cb -0.75 -4.04 -0.10 0.00 2.95 0.00 0.00 42.46 40.53 3msp s ILE 9 CO 0.54 0.27 0.91 0.21 -1.79 0.00 0.00 174.94 175.07 3msp s ASN 10 N 0.66 6.82 0.03 4.36 3.84 -0.10 -4.86 114.94 125.70 3msp s ASN 10 Ca 0.37 1.56 0.01 0.00 0.21 0.00 0.00 52.86 55.01 3msp s ASN 10 Cb -0.18 -2.49 -0.02 0.00 -0.55 0.00 0.00 41.25 38.01 3msp s ASN 10 CO 0.18 -0.38 -0.05 0.42 -2.79 0.00 0.00 177.10 174.48 3msp s THR 11 N -2.24 0.31 -0.19 -5.21 -4.23 -1.26 -1.66 115.64 101.15 3msp s THR 11 Ca 0.59 -0.96 -0.05 0.00 -1.18 0.00 0.00 61.69 60.10 3msp s THR 11 Cb -0.09 -0.42 0.07 0.00 1.34 0.00 0.00 72.50 73.40 3msp s THR 11 CO 0.19 -0.42 0.13 -1.10 -0.54 0.00 0.00 174.62 172.87 3msp s GLN 12 N -1.46 0.11 0.89 3.99 -0.21 -0.35 -2.34 119.66 120.28 3msp s GLN 12 Ca -0.13 -0.06 -0.10 0.00 0.02 0.00 0.00 55.36 55.09 3msp s GLN 12 Cb -0.10 -1.61 0.13 0.00 1.00 0.00 0.00 33.01 32.43 3msp s GLN 12 CO -0.00 -0.71 1.14 -2.14 -2.12 0.00 0.00 175.29 171.46 3msp s PRO 13 N 2.18 1.21 0.00 2.91 0.02 -1.26 -2.52 135.00 137.55 3msp s PRO 13 Ca 0.04 1.52 0.06 0.00 0.02 0.00 0.00 61.00 62.63 3msp s PRO 13 Cb -0.16 -1.75 0.01 0.00 0.02 0.00 0.00 34.50 32.62 3msp s PRO 13 CO -0.13 -2.48 0.52 0.45 -0.33 0.00 0.00 177.00 175.03 3msp n SER 14 N -4.08 1.04 0.00 2.53 2.88 -0.99 -4.78 113.62 110.22 3msp n SER 14 Ca 0.12 -1.02 0.00 0.00 -1.33 0.00 0.00 58.87 56.64 3msp n SER 14 Cb 0.52 0.36 0.00 0.00 -0.75 0.00 0.00 64.21 64.34 3msp n SER 14 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 3msp n GLN 15 N -0.19 0.00 -3.63 -1.46 7.27 -1.26 -4.96 117.38 113.15 3msp n GLN 15 Ca 0.03 0.00 -0.08 0.00 0.07 0.00 0.00 57.00 57.02 3msp n GLN 15 Cb 0.12 -0.57 -0.07 0.00 2.41 0.00 0.00 30.24 32.14 3msp n GLN 15 CO 0.00 0.00 0.00 -1.59 0.07 0.00 0.00 177.06 175.54 3msp s LYS 16 N -2.00 0.42 0.01 3.69 -2.85 -1.26 -4.22 119.74 113.52 3msp s LYS 16 Ca 0.00 0.44 0.02 0.00 -1.00 0.00 0.00 55.97 55.43 3msp s LYS 16 Cb 0.00 0.20 -0.04 0.00 -2.06 0.00 0.00 37.83 35.94 3msp s LYS 16 CO 0.00 -0.06 -0.03 -1.50 0.10 0.00 0.00 175.35 173.86 3msp s ILE 17 N 0.03 3.96 -0.31 3.79 2.07 -0.88 -4.85 121.20 124.99 3msp s ILE 17 Ca 0.04 -0.69 0.02 0.00 -1.41 0.00 0.00 60.65 58.60 3msp s ILE 17 Cb -0.04 -2.76 0.09 0.00 0.13 0.00 0.00 42.46 39.88 3msp s ILE 17 CO -0.07 0.37 0.05 0.54 -1.91 0.00 0.00 174.94 173.92 3msp s VAL 18 N -1.07 1.67 -0.22 4.00 0.11 -1.26 -0.50 120.40 123.13 3msp s VAL 18 Ca 0.19 -1.85 -0.30 0.00 -2.93 0.00 0.00 61.98 57.10 3msp s VAL 18 Cb -0.11 -2.19 -0.07 0.00 -1.53 0.00 0.00 36.38 32.47 3msp s VAL 18 CO 0.10 -0.56 2.19 0.49 -3.33 0.00 0.00 175.10 173.99 3msp n PHE 19 N 4.53 1.95 -2.37 1.54 3.01 0.69 -4.68 117.46 122.12 3msp n PHE 19 Ca -0.01 -0.07 -0.40 0.00 1.01 0.00 0.00 57.45 57.98 3msp n PHE 19 Cb 0.42 -2.70 -0.04 0.00 -0.01 0.00 0.00 39.48 37.16 3msp n PHE 19 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 3msp s ASN 20 N 7.72 7.13 1.12 4.37 0.01 -1.26 -2.51 114.94 131.52 3msp s ASN 20 Ca 1.01 2.38 -0.14 0.00 -0.71 0.00 0.00 52.86 55.41 3msp s ASN 20 Cb -0.45 -2.63 0.21 0.00 0.41 0.00 0.00 41.25 38.79 3msp s ASN 20 CO 0.39 -0.26 0.75 0.00 -1.51 0.00 0.00 177.10 176.47 3msp n ALA 21 N 1.14 -2.94 -2.27 0.60 0.00 -0.92 -4.80 120.51 111.32 3msp n ALA 21 Ca -0.01 -1.10 -0.25 0.00 0.00 0.00 0.00 53.44 52.09 3msp n ALA 21 Cb 0.44 -1.90 0.01 0.00 0.00 0.00 0.00 19.45 18.01 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 -4.15 3.17 -0.41 0.00 0.04 -1.26 -5.08 135.00 127.31 3msp s PRO 22 Ca 0.65 -0.18 0.06 0.00 0.04 0.00 0.00 61.00 61.56 3msp s PRO 22 Cb -0.22 -2.44 0.67 0.00 0.04 0.00 0.00 34.50 32.55 3msp s PRO 22 CO 0.65 -0.34 1.86 0.66 0.04 0.00 0.00 177.00 179.86 3msp n TYR 23 N -2.24 2.77 0.28 0.56 4.01 -1.26 -4.31 117.16 116.97 3msp n TYR 23 Ca 0.01 -1.70 0.12 0.00 -0.16 0.00 0.00 57.90 56.17 3msp n TYR 23 Cb 0.57 -0.86 0.24 0.00 -0.31 0.00 0.00 39.34 38.98 3msp n TYR 23 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3msp n ASP 24 N -0.96 3.42 -3.78 7.72 8.00 -1.26 -2.20 116.55 127.50 3msp n ASP 24 Ca 0.54 -1.98 -0.11 0.00 0.71 0.00 0.00 54.79 53.95 3msp n ASP 24 Cb 1.56 -0.28 -0.07 0.00 -0.02 0.00 0.00 41.12 42.31 3msp n ASP 24 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3msp s ASP 25 N -1.42 -0.06 -0.48 -2.24 -1.08 -1.26 -4.92 116.67 105.21 3msp s ASP 25 Ca 0.40 -0.31 -0.28 0.00 -0.52 0.00 0.00 52.55 51.83 3msp s ASP 25 Cb 0.23 0.35 0.01 0.00 -1.46 0.00 0.00 42.92 42.05 3msp s ASP 25 CO 0.32 -0.64 1.37 -0.54 0.52 0.00 0.00 175.17 176.19 3msp s LYS 26 N -2.87 3.49 -0.09 4.34 1.02 -1.26 -4.50 119.74 119.86 3msp s LYS 26 Ca -0.03 0.68 -0.00 0.00 0.02 0.00 0.00 55.97 56.64 3msp s LYS 26 Cb 0.00 -4.05 -0.03 0.00 -0.52 0.00 0.00 37.83 33.24 3msp s LYS 26 CO -0.05 -1.68 -0.08 -1.01 -0.92 0.00 0.00 175.35 171.61 3msp s HIS 27 N 5.52 2.92 -0.38 3.18 3.76 -1.24 -4.90 115.29 124.15 3msp s HIS 27 Ca 0.56 -0.15 -0.07 0.00 -0.15 0.00 0.00 55.06 55.24 3msp s HIS 27 Cb -0.11 -1.78 0.06 0.00 1.11 0.00 0.00 32.58 31.86 3msp s HIS 27 CO 0.30 0.16 0.18 0.99 -0.85 0.00 0.00 174.74 175.52 3msp s THR 28 N -0.38 3.91 -0.37 1.30 2.01 -1.26 -1.37 115.64 119.48 3msp s THR 28 Ca 0.05 -1.33 -0.20 0.00 0.31 0.00 0.00 61.69 60.53 3msp s THR 28 Cb -0.12 -3.33 0.01 0.00 0.01 0.00 0.00 72.50 69.06 3msp s THR 28 CO 0.02 -0.36 0.60 -0.31 -0.69 0.00 0.00 174.62 173.88 3msp s TYR 29 N 1.38 3.14 0.51 4.92 1.51 -1.03 -4.80 117.35 122.99 3msp s TYR 29 Ca 0.01 0.20 -0.17 0.00 -1.01 0.00 0.00 57.07 56.10 3msp s TYR 29 Cb -0.21 -3.12 -0.08 0.00 -0.11 0.00 0.00 41.96 38.44 3msp s TYR 29 CO 0.02 -0.65 0.98 -1.01 -1.11 0.00 0.00 175.55 173.78 3msp s HIS 30 N 2.63 3.44 0.05 2.71 3.76 -1.26 -1.62 115.29 125.00 3msp s HIS 30 Ca 0.22 1.48 0.05 0.00 -0.15 0.00 0.00 55.06 56.66 3msp s HIS 30 Cb -0.15 -2.80 -0.02 0.00 1.11 0.00 0.00 32.58 30.72 3msp s HIS 30 CO 0.15 -0.35 -0.14 0.42 -0.85 0.00 0.00 174.74 173.97 3msp s ILE 31 N -2.58 1.11 -0.22 0.60 1.01 -0.77 -4.94 121.20 115.41 3msp s ILE 31 Ca 0.59 -1.10 -0.10 0.00 0.00 0.00 0.00 60.65 60.04 3msp s ILE 31 Cb -0.10 -1.03 -0.05 0.00 0.01 0.00 0.00 42.46 41.30 3msp s ILE 31 CO 0.30 -0.08 0.13 -0.75 0.00 0.00 0.00 174.94 174.54 3msp s LYS 32 N -1.34 4.06 0.23 2.79 2.20 -1.05 -1.45 119.74 125.18 3msp s LYS 32 Ca 0.00 -0.28 0.09 0.00 -0.36 0.00 0.00 55.97 55.43 3msp s LYS 32 Cb -0.09 -3.44 -0.05 0.00 -1.51 0.00 0.00 37.83 32.75 3msp s LYS 32 CO 0.02 0.15 -0.17 0.42 -0.36 0.00 0.00 175.35 175.41 3msp s ILE 33 N 0.78 2.00 0.03 5.43 1.01 -1.04 -1.21 121.20 128.19 3msp s ILE 33 Ca 0.07 -2.27 -0.23 0.00 0.00 0.00 0.00 60.65 58.22 3msp s ILE 33 Cb -0.13 -2.12 0.05 0.00 0.01 0.00 0.00 42.46 40.27 3msp s ILE 33 CO 0.02 -0.51 0.52 -0.89 0.00 0.00 0.00 174.94 174.08 3msp s THR 34 N -2.76 0.03 -0.84 2.92 2.01 -0.67 -2.00 115.64 114.33 3msp s THR 34 Ca 0.25 -0.23 0.01 0.00 0.31 0.00 0.00 61.69 62.02 3msp s THR 34 Cb -0.02 -0.95 0.24 0.00 0.01 0.00 0.00 72.50 71.77 3msp s THR 34 CO 0.10 -0.13 0.85 -3.20 -0.69 0.00 0.00 174.62 171.55 3msp n ASN 35 N 0.55 4.29 -0.67 3.53 5.15 -0.95 -0.92 115.26 126.23 3msp n ASN 35 Ca -0.19 -3.27 0.51 0.00 -0.60 0.00 0.00 54.58 51.03 3msp n ASN 35 Cb 0.59 -0.95 0.79 0.00 -0.53 0.00 0.00 39.78 39.69 3msp n ASN 35 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3msp n ALA 36 N 1.73 1.80 -0.37 5.20 0.00 -1.22 -1.43 120.51 126.22 3msp n ALA 36 Ca 0.24 0.68 -0.29 0.00 0.00 0.00 0.00 53.44 54.08 3msp n ALA 36 Cb 0.37 -1.12 0.27 0.00 0.00 0.00 0.00 19.45 18.98 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 -1.85 -2.95 1.71 0.00 0.00 -1.26 -4.45 105.19 96.39 3msp n GLY 37 Ca 0.43 -1.39 -0.18 0.00 0.00 0.00 0.00 46.02 44.89 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 1.53 5.56 3.67 -0.02 0.00 -1.26 -2.07 105.19 112.60 3msp n GLY 38 Ca 0.07 -1.89 -0.09 0.00 0.00 0.00 0.00 46.02 44.11 3msp n GLY 38 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3msp s ARG 39 N -3.48 1.70 0.54 1.61 0.52 -1.26 -4.73 118.95 113.85 3msp s ARG 39 Ca 0.51 -1.25 -0.18 0.00 -0.52 0.00 0.00 55.73 54.29 3msp s ARG 39 Cb 0.43 0.52 -0.06 0.00 0.52 0.00 0.00 34.95 36.36 3msp s ARG 39 CO 0.01 -0.74 1.05 1.03 0.02 0.00 0.00 175.30 176.67 3msp s ARG 40 N -3.75 3.56 -0.10 3.54 0.52 -1.26 -3.86 118.95 117.60 3msp s ARG 40 Ca 0.20 1.28 -0.13 0.00 -0.52 0.00 0.00 55.73 56.56 3msp s ARG 40 Cb -0.02 -2.06 0.03 0.00 0.52 0.00 0.00 34.95 33.41 3msp s ARG 40 CO 0.10 -0.62 0.34 0.96 0.02 0.00 0.00 175.30 176.10 3msp s ILE 41 N -2.22 0.01 -0.44 1.52 -4.36 -0.91 -3.03 121.20 111.77 3msp s ILE 41 Ca 0.65 -0.12 -0.16 0.00 -0.26 0.00 0.00 60.65 60.77 3msp s ILE 41 Cb -0.16 -0.53 0.04 0.00 1.25 0.00 0.00 42.46 43.06 3msp s ILE 41 CO 0.28 -0.06 0.38 -0.83 0.24 0.00 0.00 174.94 174.95 3msp s GLY 42 N -0.20 1.98 0.22 6.27 0.00 -0.95 -1.78 107.32 112.87 3msp s GLY 42 Ca -0.03 -1.82 0.08 0.00 0.00 0.00 0.00 44.72 42.94 3msp s GLY 42 CO 0.01 1.06 0.07 0.66 0.00 0.00 0.00 173.10 174.90 3msp s TRP 43 N 1.83 2.91 0.05 1.90 1.48 -0.89 -2.34 118.94 123.88 3msp s TRP 43 Ca 0.07 -0.14 -0.11 0.00 -1.06 0.00 0.00 56.10 54.86 3msp s TRP 43 Cb -0.20 -1.35 0.01 0.00 -1.16 0.00 0.00 33.47 30.77 3msp s TRP 43 CO 0.10 0.55 0.24 0.00 -4.06 0.00 0.00 176.95 173.77 3msp s ALA 44 N -2.00 -0.48 0.05 2.67 0.00 -0.59 -2.19 121.76 119.22 3msp s ALA 44 Ca 0.30 -0.21 0.09 0.00 0.00 0.00 0.00 51.96 52.14 3msp s ALA 44 Cb -0.08 0.33 -0.03 0.00 0.00 0.00 0.00 23.12 23.34 3msp s ALA 44 CO 0.21 -0.41 -0.24 0.42 0.00 0.00 0.00 175.76 175.74 3msp s ILE 45 N -2.74 1.98 -0.13 0.00 -1.09 -0.68 -2.37 121.20 116.18 3msp s ILE 45 Ca -0.04 -1.35 -0.09 0.00 -2.23 0.00 0.00 60.65 56.94 3msp s ILE 45 Cb -0.00 -1.71 0.04 0.00 -1.58 0.00 0.00 42.46 39.21 3msp s ILE 45 CO -0.05 0.29 0.32 -1.59 -1.23 0.00 0.00 174.94 172.68 3msp s LYS 46 N -1.27 0.34 0.23 2.79 -2.85 -0.86 -4.94 119.74 113.17 3msp s LYS 46 Ca 0.10 0.53 0.11 0.00 -1.00 0.00 0.00 55.97 55.71 3msp s LYS 46 Cb -0.10 0.07 -0.05 0.00 -2.06 0.00 0.00 37.83 35.70 3msp s LYS 46 CO 0.02 -0.09 -0.19 0.95 0.10 0.00 0.00 175.35 176.14 3msp s THR 47 N 0.65 2.60 0.06 3.79 -4.23 -1.26 -1.00 115.64 116.25 3msp s THR 47 Ca -0.04 -2.11 -0.20 0.00 -1.18 0.00 0.00 61.69 58.17 3msp s THR 47 Cb -0.05 -2.31 -0.08 0.00 1.34 0.00 0.00 72.50 71.40 3msp s THR 47 CO -0.04 -0.24 1.32 0.71 -0.54 0.00 0.00 174.62 175.83 3msp h THR 48 N 2.71 0.00 -3.62 3.99 1.35 -1.66 -3.37 112.91 112.30 3msp h THR 48 Ca -0.44 0.00 -0.66 0.00 -0.55 0.00 0.00 66.41 64.76 3msp h THR 48 Cb 1.23 0.00 -0.17 0.00 -1.73 0.00 0.00 68.15 67.48 3msp h THR 48 CO 0.54 0.00 -0.20 0.20 -0.25 0.00 0.00 175.52 175.81 3msp s ASN 49 N -3.79 6.22 -0.20 5.36 -0.87 -1.26 -4.93 114.94 115.46 3msp s ASN 49 Ca -0.09 -0.26 0.08 0.00 -1.57 0.00 0.00 52.86 51.02 3msp s ASN 49 Cb 0.04 -2.22 0.55 0.00 -0.02 0.00 0.00 41.25 39.60 3msp s ASN 49 CO 0.35 -0.43 1.45 0.23 -2.57 0.00 0.00 177.10 176.13 3msp n MET 50 N 5.53 3.29 -0.09 -0.60 2.81 -1.26 -3.37 117.12 123.43 3msp n MET 50 Ca -0.07 -2.20 -0.15 0.00 -1.81 0.00 0.00 57.70 53.47 3msp n MET 50 Cb 0.49 -1.99 -0.08 0.00 -0.71 0.00 0.00 33.22 30.93 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 0.17 0.45 -0.12 0.03 5.12 -1.26 -4.80 116.66 116.25 3msp n ARG 51 Ca 0.25 0.13 -0.24 0.00 -1.93 0.00 0.00 57.85 56.07 3msp n ARG 51 Cb 1.02 -1.32 -0.10 0.00 -1.16 0.00 0.00 32.46 30.91 3msp n ARG 51 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3msp n ARG 52 N -3.28 0.57 -2.56 5.56 1.74 -1.26 -4.94 116.66 112.48 3msp n ARG 52 Ca -0.34 0.41 -0.40 0.00 -0.77 0.00 0.00 57.85 56.74 3msp n ARG 52 Cb 0.83 -1.61 -0.05 0.00 -1.02 0.00 0.00 32.46 30.61 3msp n ARG 52 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3msp s LEU 53 N -7.73 4.57 -0.07 0.55 1.43 -1.22 -3.76 118.68 112.45 3msp s LEU 53 Ca -0.33 2.16 0.00 0.00 -1.03 0.00 0.00 54.13 54.94 3msp s LEU 53 Cb 0.10 -3.64 0.02 0.00 0.03 0.00 0.00 46.19 42.70 3msp s LEU 53 CO 0.51 -0.06 -0.05 -0.44 0.23 0.00 0.00 176.35 176.54 3msp s SER 54 N -0.99 1.49 -0.09 2.29 0.01 -0.97 -4.61 113.70 110.83 3msp s SER 54 Ca 0.44 -0.18 -0.04 0.00 1.31 0.00 0.00 55.95 57.48 3msp s SER 54 Cb -0.30 -0.58 -0.04 0.00 0.21 0.00 0.00 66.02 65.31 3msp s SER 54 CO 0.38 -0.09 0.08 0.68 0.41 0.00 0.00 173.24 174.69 3msp s VAL 55 N 1.34 4.92 -0.29 3.43 -7.23 -1.26 -1.50 120.40 119.80 3msp s VAL 55 Ca -0.04 -0.06 -0.15 0.00 -1.81 0.00 0.00 61.98 59.92 3msp s VAL 55 Cb -0.14 -3.13 0.14 0.00 0.56 0.00 0.00 36.38 33.82 3msp s VAL 55 CO -0.03 0.58 0.93 -0.62 -0.31 0.00 0.00 175.10 175.65 3msp s ASP 56 N -1.07 -0.60 0.15 4.85 -1.08 -0.75 -3.90 116.67 114.27 3msp s ASP 56 Ca 0.15 0.92 -0.30 0.00 -0.52 0.00 0.00 52.55 52.80 3msp s ASP 56 Cb -0.12 1.40 -0.08 0.00 -1.46 0.00 0.00 42.92 42.66 3msp s ASP 56 CO 0.05 -0.14 1.30 -2.84 0.52 0.00 0.00 175.17 174.05 3msp s PRO 57 N 1.72 4.39 0.22 4.34 0.02 -1.26 -0.55 135.00 143.89 3msp s PRO 57 Ca -0.07 1.98 -0.07 0.00 0.02 0.00 0.00 61.00 62.86 3msp s PRO 57 Cb -0.05 -3.24 0.31 0.00 0.02 0.00 0.00 34.50 31.55 3msp s PRO 57 CO -0.16 -0.28 1.78 -1.35 -0.33 0.00 0.00 177.00 176.66 3msp h PRO 58 N 5.97 0.58 -3.85 5.54 0.11 -1.94 -3.43 132.00 134.97 3msp h PRO 58 Ca -0.43 -0.04 -0.24 0.00 0.11 0.00 0.00 66.00 65.40 3msp h PRO 58 Cb 1.21 -0.13 -0.27 0.00 0.11 0.00 0.00 31.00 31.92 3msp h PRO 58 CO 0.80 0.39 -0.72 0.00 -0.21 0.00 0.00 178.00 178.25 3msp s GLY 60 N -0.22 -0.28 -0.31 0.00 0.00 -0.93 -4.91 107.32 100.66 3msp s GLY 60 Ca -0.02 0.24 -0.10 0.00 0.00 0.00 0.00 44.72 44.85 3msp s GLY 60 CO -0.00 -0.02 0.16 0.14 0.00 0.00 0.00 173.10 173.39 3msp s VAL 61 N -2.75 4.69 0.41 1.40 1.01 -1.26 -2.09 120.40 121.80 3msp s VAL 61 Ca -0.04 -0.39 -0.08 0.00 0.00 0.00 0.00 61.98 61.47 3msp s VAL 61 Cb -0.00 -3.39 -0.05 0.00 0.00 0.00 0.00 36.38 32.93 3msp s VAL 61 CO -0.04 0.06 0.74 -0.76 0.00 0.00 0.00 175.10 175.10 3msp s LEU 62 N 1.63 3.80 0.54 3.92 1.43 -0.73 -4.88 118.68 124.38 3msp s LEU 62 Ca 0.05 1.01 0.05 0.00 -1.03 0.00 0.00 54.13 54.20 3msp s LEU 62 Cb -0.17 -3.90 0.03 0.00 0.03 0.00 0.00 46.19 42.18 3msp s LEU 62 CO 0.07 -0.43 0.36 -1.81 0.23 0.00 0.00 176.35 174.77 3msp s ASP 63 N -3.46 4.57 -0.24 2.29 1.11 -1.26 -2.15 116.67 117.53 3msp s ASP 63 Ca 0.49 -1.29 -0.29 0.00 0.18 0.00 0.00 52.55 51.63 3msp s ASP 63 Cb -0.10 0.43 -0.06 0.00 1.07 0.00 0.00 42.92 44.25 3msp s ASP 63 CO 0.35 -1.08 2.22 -2.65 1.18 0.00 0.00 175.17 175.19 3msp n PRO 64 N -1.71 1.80 -3.75 8.23 -0.02 -1.25 -1.90 135.00 136.41 3msp n PRO 64 Ca -0.04 0.49 -0.27 0.00 -2.02 0.00 0.00 63.50 61.67 3msp n PRO 64 Cb 0.65 -3.09 0.05 0.00 -0.02 0.00 0.00 33.50 31.09 3msp n PRO 64 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3msp n LYS 65 N 8.63 -6.72 -4.04 -0.52 5.02 -0.51 -4.95 118.16 115.07 3msp n LYS 65 Ca 0.32 0.72 -0.26 0.00 -2.02 0.00 0.00 58.31 57.07 3msp n LYS 65 Cb 0.41 -5.68 -0.04 0.00 -0.02 0.00 0.00 35.03 29.69 3msp n LYS 65 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3msp s GLU 66 N -6.42 3.09 0.01 1.97 2.02 -0.80 -4.88 118.70 113.70 3msp s GLU 66 Ca 0.59 -0.80 0.05 0.00 0.02 0.00 0.00 54.97 54.84 3msp s GLU 66 Cb -0.28 -2.75 -0.03 0.00 0.10 0.00 0.00 34.13 31.17 3msp s GLU 66 CO 0.78 0.49 -0.14 0.15 0.02 0.00 0.00 175.26 176.56 3msp s LYS 67 N -3.26 2.29 0.07 1.61 1.02 -1.26 -2.25 119.74 117.96 3msp s LYS 67 Ca 0.32 -0.85 0.03 0.00 0.02 0.00 0.00 55.97 55.49 3msp s LYS 67 Cb -0.10 -2.32 -0.03 0.00 -0.52 0.00 0.00 37.83 34.87 3msp s LYS 67 CO 0.25 0.57 -0.10 0.14 -0.92 0.00 0.00 175.35 175.29 3msp s VAL 68 N -0.91 0.82 -0.05 3.17 -7.23 -0.85 -5.01 120.40 110.34 3msp s VAL 68 Ca 0.15 -1.31 -0.09 0.00 -1.81 0.00 0.00 61.98 58.92 3msp s VAL 68 Cb -0.11 -0.96 -0.05 0.00 0.56 0.00 0.00 36.38 35.82 3msp s VAL 68 CO 0.05 -0.39 0.24 -0.22 -0.31 0.00 0.00 175.10 174.47 3msp s LEU 69 N -1.88 4.40 0.23 1.32 0.20 -1.26 -2.50 118.68 119.20 3msp s LEU 69 Ca -0.03 0.61 0.08 0.00 0.69 0.00 0.00 54.13 55.48 3msp s LEU 69 Cb -0.08 -2.38 -0.05 0.00 -0.43 0.00 0.00 46.19 43.26 3msp s LEU 69 CO 0.01 0.34 -0.13 -0.32 -0.29 0.00 0.00 176.35 175.96 3msp s MET 70 N -1.27 1.43 -0.05 1.98 1.75 -0.53 -4.49 119.30 118.12 3msp s MET 70 Ca 0.21 -1.66 -0.02 0.00 -1.25 0.00 0.00 55.69 52.96 3msp s MET 70 Cb -0.13 -1.21 0.03 0.00 2.84 0.00 0.00 34.83 36.36 3msp s MET 70 CO 0.10 0.16 0.12 0.00 -0.65 0.00 0.00 175.02 174.75 3msp s ALA 71 N -2.93 -0.20 -0.45 4.11 0.00 0.29 -1.85 121.76 120.74 3msp s ALA 71 Ca 0.25 0.53 0.02 0.00 0.00 0.00 0.00 51.96 52.76 3msp s ALA 71 Cb -0.00 -0.36 0.13 0.00 0.00 0.00 0.00 23.12 22.90 3msp s ALA 71 CO 0.09 -0.12 0.23 0.08 0.00 0.00 0.00 175.76 176.04 3msp s VAL 72 N 0.91 1.58 0.50 0.00 1.01 -0.64 -1.81 120.40 121.96 3msp s VAL 72 Ca -0.07 -2.63 -0.21 0.00 0.00 0.00 0.00 61.98 59.06 3msp s VAL 72 Cb -0.09 -2.11 -0.07 0.00 0.00 0.00 0.00 36.38 34.11 3msp s VAL 72 CO -0.04 -0.87 1.14 -0.44 0.00 0.00 0.00 175.10 174.89 3msp s SER 73 N 0.30 5.95 0.14 3.32 0.01 -0.56 -2.46 113.70 120.40 3msp s SER 73 Ca 0.17 2.22 0.09 0.00 1.31 0.00 0.00 55.95 59.74 3msp s SER 73 Cb -0.25 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.36 3msp s SER 73 CO -0.00 -1.06 -0.21 0.00 0.41 0.00 0.00 173.24 172.38 3msp s ASP 75 N -2.32 5.38 0.54 0.00 1.11 -1.25 -3.71 116.67 116.43 3msp s ASP 75 Ca 0.13 0.14 -0.22 0.00 0.18 0.00 0.00 52.55 52.77 3msp s ASP 75 Cb -0.08 -1.65 -0.05 0.00 1.07 0.00 0.00 42.92 42.20 3msp s ASP 75 CO 0.06 0.33 1.38 0.35 1.18 0.00 0.00 175.17 178.47 3msp n THR 76 N 2.50 3.75 -2.90 -1.27 -2.24 -1.26 -4.99 114.28 107.88 3msp n THR 76 Ca -0.18 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 3msp n THR 76 Cb 0.53 -1.70 0.00 0.00 -2.10 0.00 0.00 70.33 67.06 3msp n THR 76 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 3msp n PHE 77 N -0.95 -0.45 -3.97 4.78 -1.74 -0.93 -5.03 117.46 109.17 3msp n PHE 77 Ca 0.10 0.00 -0.34 0.00 -0.56 0.00 0.00 57.45 56.64 3msp n PHE 77 Cb 0.44 0.00 -0.15 0.00 1.52 0.00 0.00 39.48 41.30 3msp n PHE 77 CO 0.00 0.00 0.00 -0.80 -0.56 0.00 0.00 176.76 175.40 3msp s ASN 78 N 0.13 4.06 -0.20 5.98 0.01 -1.26 -4.74 114.94 118.90 3msp s ASN 78 Ca 0.00 -0.59 0.14 0.00 -0.71 0.00 0.00 52.86 51.69 3msp s ASN 78 Cb 0.00 -1.66 0.75 0.00 0.41 0.00 0.00 41.25 40.75 3msp s ASN 78 CO 0.00 -0.05 1.65 0.00 -1.51 0.00 0.00 177.10 177.19 3msp n ALA 79 N 4.72 3.69 -0.03 0.60 0.00 -1.26 -3.99 120.51 124.24 3msp n ALA 79 Ca -0.18 -1.74 -0.05 0.00 0.00 0.00 0.00 53.44 51.47 3msp n ALA 79 Cb 0.49 -1.11 -0.13 0.00 0.00 0.00 0.00 19.45 18.70 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 0.66 1.72 -2.72 0.00 0.00 -1.26 -4.56 120.51 114.34 3msp n ALA 80 Ca 0.26 -0.88 -0.06 0.00 0.00 0.00 0.00 53.44 52.76 3msp n ALA 80 Cb 1.09 -0.65 0.05 0.00 0.00 0.00 0.00 19.45 19.94 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 -2.84 0.94 -3.89 0.00 -2.24 -1.26 -5.10 114.28 99.89 3msp n THR 81 Ca -0.19 -2.78 -0.11 0.00 -2.27 0.00 0.00 64.05 58.70 3msp n THR 81 Cb 0.99 0.91 -0.11 0.00 -2.10 0.00 0.00 70.33 70.02 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 -2.89 0.36 0.66 -0.78 0.41 -1.26 -5.09 118.70 110.11 3msp s GLU 82 Ca 0.26 -0.34 -0.17 0.00 -0.41 0.00 0.00 54.97 54.31 3msp s GLU 82 Cb 0.41 0.14 -0.01 0.00 -1.78 0.00 0.00 34.13 32.90 3msp s GLU 82 CO -0.00 -0.07 1.18 -0.40 -0.49 0.00 0.00 175.26 175.48 3msp n ASP 83 N 1.84 1.54 -0.91 -0.19 5.68 -1.26 -4.91 116.55 118.35 3msp n ASP 83 Ca -0.21 0.78 0.05 0.00 -0.50 0.00 0.00 54.79 54.92 3msp n ASP 83 Cb 0.56 -1.50 0.13 0.00 -1.14 0.00 0.00 41.12 39.17 3msp n ASP 83 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3msp n LEU 84 N -1.78 1.94 -1.80 -2.12 4.77 -1.26 -4.73 117.00 112.03 3msp n LEU 84 Ca 0.15 -3.04 0.01 0.00 -0.03 0.00 0.00 56.01 53.11 3msp n LEU 84 Cb 0.48 -0.31 0.02 0.00 -2.33 0.00 0.00 43.42 41.29 3msp n LEU 84 CO 0.48 0.99 0.12 0.59 -1.33 0.00 0.00 177.39 178.23 3msp n ASN 85 N -0.49 0.69 -0.00 -1.43 3.02 -1.26 -4.78 115.26 111.01 3msp n ASN 85 Ca 0.13 -2.02 0.05 0.00 -0.03 0.00 0.00 54.58 52.71 3msp n ASN 85 Cb 0.86 -0.19 -0.07 0.00 -0.61 0.00 0.00 39.78 39.76 3msp n ASN 85 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3msp n ASN 86 N 0.05 2.55 -4.63 6.41 5.03 -1.26 -4.95 115.26 118.46 3msp n ASN 86 Ca -0.00 -0.07 -0.42 0.00 0.87 0.00 0.00 54.58 54.96 3msp n ASN 86 Cb 0.99 1.41 -0.04 0.00 -1.02 0.00 0.00 39.78 41.11 3msp n ASN 86 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 3msp s ASP 87 N -3.02 6.78 -0.10 6.41 1.11 -1.26 -4.74 116.67 121.85 3msp s ASP 87 Ca -0.03 0.86 -0.08 0.00 0.18 0.00 0.00 52.55 53.48 3msp s ASP 87 Cb 0.06 -2.45 0.03 0.00 1.07 0.00 0.00 42.92 41.64 3msp s ASP 87 CO 0.41 -0.65 0.26 -0.13 1.18 0.00 0.00 175.17 176.24 3msp s ARG 88 N 3.08 0.29 0.36 8.23 0.52 -1.26 -2.13 118.95 128.04 3msp s ARG 88 Ca 0.36 0.41 0.08 0.00 -0.52 0.00 0.00 55.73 56.05 3msp s ARG 88 Cb -0.14 0.09 -0.03 0.00 0.52 0.00 0.00 34.95 35.39 3msp s ARG 88 CO 0.12 -0.06 0.27 0.42 0.02 0.00 0.00 175.30 176.06 3msp s ILE 89 N 0.39 3.12 -0.20 1.52 1.01 -1.00 -1.86 121.20 124.18 3msp s ILE 89 Ca -0.02 -1.46 -0.08 0.00 0.00 0.00 0.00 60.65 59.08 3msp s ILE 89 Cb -0.04 -3.08 0.08 0.00 0.01 0.00 0.00 42.46 39.44 3msp s ILE 89 CO -0.02 -0.12 0.45 -0.89 0.00 0.00 0.00 174.94 174.36 3msp s THR 90 N -2.39 -0.45 -0.20 2.92 2.01 -0.17 -2.01 115.64 115.35 3msp s THR 90 Ca 0.42 0.12 -0.03 0.00 0.31 0.00 0.00 61.69 62.51 3msp s THR 90 Cb -0.04 -0.70 -0.01 0.00 0.01 0.00 0.00 72.50 71.77 3msp s THR 90 CO 0.26 0.05 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.54 3msp s ILE 91 N 2.22 3.26 -0.04 1.82 1.09 -0.57 -2.03 121.20 126.95 3msp s ILE 91 Ca -0.05 -0.54 0.04 0.00 -1.10 0.00 0.00 60.65 59.00 3msp s ILE 91 Cb -0.10 -2.45 -0.00 0.00 -1.06 0.00 0.00 42.46 38.84 3msp s ILE 91 CO -0.14 0.45 -0.16 -1.83 -0.10 0.00 0.00 174.94 173.17 3msp s GLU 92 N 1.18 1.59 0.00 2.79 1.03 -1.00 -0.73 118.70 123.56 3msp s GLU 92 Ca 0.02 -0.55 -0.02 0.00 0.03 0.00 0.00 54.97 54.46 3msp s GLU 92 Cb -0.14 -1.40 -0.01 0.00 -0.80 0.00 0.00 34.13 31.78 3msp s GLU 92 CO -0.02 0.23 0.02 1.67 -1.33 0.00 0.00 175.26 175.83 3msp s TRP 93 N 0.03 0.09 0.07 4.83 -2.14 -0.76 -1.54 118.94 119.51 3msp s TRP 93 Ca -0.03 -0.17 0.05 0.00 2.66 0.00 0.00 56.10 58.61 3msp s TRP 93 Cb -0.10 -0.07 -0.03 0.00 -3.10 0.00 0.00 33.47 30.16 3msp s TRP 93 CO 0.02 -0.12 -0.13 -0.08 -2.66 0.00 0.00 176.95 173.97 3msp s THR 94 N -0.73 1.04 0.23 0.66 -1.32 -0.99 -1.69 115.64 112.85 3msp s THR 94 Ca -0.08 -1.26 -0.31 0.00 -1.21 0.00 0.00 61.69 58.83 3msp s THR 94 Cb -0.05 -1.01 -0.14 0.00 -1.51 0.00 0.00 72.50 69.79 3msp s THR 94 CO -0.00 -0.23 1.23 0.59 -2.21 0.00 0.00 174.62 174.01 3msp n ASN 95 N 1.35 1.95 -4.71 8.08 4.13 -1.26 -2.24 115.26 122.56 3msp n ASN 95 Ca -0.21 1.15 -0.42 0.00 1.68 0.00 0.00 54.58 56.79 3msp n ASN 95 Cb 0.54 -1.32 -0.03 0.00 -1.54 0.00 0.00 39.78 37.42 3msp n ASN 95 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 3msp s THR 96 N -0.35 4.90 0.94 3.41 -4.23 -1.17 -4.83 115.64 114.31 3msp s THR 96 Ca 0.68 1.95 -0.12 0.00 -1.18 0.00 0.00 61.69 63.02 3msp s THR 96 Cb -0.73 -4.27 0.07 0.00 1.34 0.00 0.00 72.50 68.91 3msp s THR 96 CO 0.53 0.17 0.67 -2.65 -0.54 0.00 0.00 174.62 172.80 3msp n PRO 97 N 3.93 -0.34 -1.66 3.99 -0.02 -1.26 -4.80 135.00 134.83 3msp n PRO 97 Ca 0.05 -0.05 -0.51 0.00 -2.02 0.00 0.00 63.50 60.97 3msp n PRO 97 Cb 0.51 -2.04 -0.05 0.00 -0.02 0.00 0.00 33.50 31.90 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 -2.32 2.65 -3.80 2.55 8.00 -1.26 -1.20 116.55 121.17 3msp n ASP 98 Ca 0.09 1.06 -0.27 0.00 0.71 0.00 0.00 54.79 56.38 3msp n ASP 98 Cb 0.53 -1.28 0.04 0.00 -0.02 0.00 0.00 41.12 40.39 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 3.65 -0.46 3.75 0.44 0.00 -1.26 -4.90 105.19 106.41 3msp n GLY 99 Ca 0.21 0.19 -0.40 0.00 0.00 0.00 0.00 46.02 46.02 3msp n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3msp n ALA 100 N -4.64 1.90 -0.73 4.61 0.00 -0.34 -4.96 120.51 116.36 3msp n ALA 100 Ca -0.05 0.23 -0.30 0.00 0.00 0.00 0.00 53.44 53.32 3msp n ALA 100 Cb 0.57 -2.38 0.19 0.00 0.00 0.00 0.00 19.45 17.84 3msp n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3msp s ALA 101 N -1.21 0.73 -1.32 0.00 0.00 -1.26 -4.89 121.76 113.82 3msp s ALA 101 Ca 0.63 0.21 -0.10 0.00 0.00 0.00 0.00 51.96 52.70 3msp s ALA 101 Cb -0.45 -3.33 0.14 0.00 0.00 0.00 0.00 23.12 19.48 3msp s ALA 101 CO 0.56 -3.11 1.97 1.63 0.00 0.00 0.00 175.76 176.82 3msp n LYS 102 N -4.44 3.53 -3.62 0.00 4.01 -1.26 -4.80 118.16 111.58 3msp n LYS 102 Ca 0.08 -3.35 0.02 0.00 -0.51 0.00 0.00 58.31 54.55 3msp n LYS 102 Cb 0.53 -2.97 -0.06 0.00 -0.51 0.00 0.00 35.03 32.02 3msp n LYS 102 CO 0.00 0.00 0.00 -0.65 -1.11 0.00 0.00 177.40 175.64 3msp s GLN 103 N 0.82 0.07 0.03 1.97 -0.21 -1.26 -5.13 119.66 115.95 3msp s GLN 103 Ca 0.42 0.13 -0.37 0.00 0.02 0.00 0.00 55.36 55.56 3msp s GLN 103 Cb 0.11 0.02 -0.16 0.00 1.00 0.00 0.00 33.01 33.98 3msp s GLN 103 CO -0.02 -0.02 1.44 0.34 -2.12 0.00 0.00 175.29 174.92 3msp n PHE 104 N 3.24 1.70 -4.40 0.91 7.35 -1.26 -4.97 117.46 120.03 3msp n PHE 104 Ca -0.17 0.57 -0.29 0.00 -0.76 0.00 0.00 57.45 56.81 3msp n PHE 104 Cb 0.56 -2.38 -0.13 0.00 0.35 0.00 0.00 39.48 37.88 3msp n PHE 104 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 3msp s ARG 105 N 1.12 1.42 -0.03 -4.13 0.52 -1.26 -5.04 118.95 111.54 3msp s ARG 105 Ca 0.86 -1.38 -0.03 0.00 -0.52 0.00 0.00 55.73 54.66 3msp s ARG 105 Cb -0.94 -1.89 -0.28 0.00 0.52 0.00 0.00 34.95 32.36 3msp s ARG 105 CO 0.49 0.44 0.72 -0.09 0.02 0.00 0.00 175.30 176.89 3msp h ARG 106 N 3.77 0.25 0.00 3.54 2.43 -2.02 -3.31 114.38 119.04 3msp h ARG 106 Ca -0.50 -0.43 0.00 0.00 -0.81 0.00 0.00 59.98 58.24 3msp h ARG 106 Cb 1.18 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.89 3msp h ARG 106 CO 0.40 1.10 0.00 1.49 -1.51 0.00 0.00 179.97 181.46 3msp h GLU 107 N 0.07 0.00 -0.15 0.20 4.81 -1.96 -2.48 114.58 115.07 3msp h GLU 107 Ca -0.29 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 58.98 3msp h GLU 107 Cb 2.03 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.41 3msp h GLU 107 CO 0.14 0.00 0.35 -1.49 -0.73 0.00 0.00 179.01 177.29 3msp h TRP 108 N 0.00 0.00 0.06 0.92 6.55 -1.94 0.12 115.95 121.65 3msp h TRP 108 Ca 0.00 0.00 -0.31 0.00 0.95 0.00 0.00 58.89 59.53 3msp h TRP 108 Cb 0.13 0.00 -0.03 0.00 -0.86 0.00 0.00 29.16 28.40 3msp h TRP 108 CO 0.00 0.00 -1.73 0.74 -1.05 0.00 0.00 178.44 176.40 3msp h PHE 109 N 0.00 0.21 -1.98 0.49 0.04 -1.71 -3.38 116.94 110.62 3msp h PHE 109 Ca 0.07 -0.16 -0.76 0.00 2.80 0.00 0.00 57.97 59.92 3msp h PHE 109 Cb 0.78 -0.01 -0.26 0.00 2.20 0.00 0.00 35.95 38.65 3msp h PHE 109 CO 0.00 1.29 1.04 0.00 -0.60 0.00 0.00 178.31 180.04 3msp n GLN 110 N -3.25 3.19 0.00 1.51 10.64 0.39 -4.84 117.38 125.02 3msp n GLN 110 Ca -0.20 -3.64 0.00 0.00 -1.83 0.00 0.00 57.00 51.32 3msp n GLN 110 Cb 1.04 -2.30 0.00 0.00 -0.86 0.00 0.00 30.24 28.12 3msp n GLN 110 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3msp n GLY 111 N -0.36 3.49 3.64 2.61 0.00 -1.14 -4.98 105.19 108.44 3msp n GLY 111 Ca 0.53 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 3msp n GLY 111 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3msp s ASP 112 N 1.00 4.88 0.00 1.61 1.01 -1.26 -5.03 116.67 118.88 3msp s ASP 112 Ca 0.00 -0.05 0.00 0.00 0.71 0.00 0.00 52.55 53.21 3msp s ASP 112 Cb 0.00 -1.23 0.00 0.00 1.01 0.00 0.00 42.92 42.70 3msp s ASP 112 CO 0.00 0.30 0.00 0.61 0.21 0.00 0.00 175.17 176.29 3msp n GLY 113 N 1.64 -1.51 3.44 0.21 0.00 -1.26 -4.75 105.19 102.95 3msp n GLY 113 Ca -0.16 -2.12 -0.30 0.00 0.00 0.00 0.00 46.02 43.44 3msp n GLY 113 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3msp s MET 114 N -0.13 1.99 0.21 1.61 -1.94 -1.26 -5.04 119.30 114.74 3msp s MET 114 Ca 0.00 -1.03 -0.09 0.00 -1.71 0.00 0.00 55.69 52.87 3msp s MET 114 Cb 0.00 -2.14 -0.07 0.00 2.01 0.00 0.00 34.83 34.63 3msp s MET 114 CO 0.00 0.53 0.52 0.08 -0.01 0.00 0.00 175.02 176.14 3msp s VAL 115 N -0.93 4.97 -0.02 -6.03 1.01 -1.26 -4.31 120.40 113.84 3msp s VAL 115 Ca 0.14 0.39 0.08 0.00 0.00 0.00 0.00 61.98 62.59 3msp s VAL 115 Cb -0.10 -3.62 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 3msp s VAL 115 CO 0.05 -0.05 -0.25 -0.60 0.00 0.00 0.00 175.10 174.24 3msp s ARG 116 N -2.79 2.06 0.05 2.72 6.06 -0.68 -5.00 118.95 121.37 3msp s ARG 116 Ca 0.46 -0.90 0.06 0.00 -2.50 0.00 0.00 55.73 52.85 3msp s ARG 116 Cb -0.11 -1.99 -0.02 0.00 0.06 0.00 0.00 34.95 32.88 3msp s ARG 116 CO 0.22 0.54 -0.16 0.50 -2.50 0.00 0.00 175.30 173.90 3msp s ARG 117 N -0.58 1.04 0.08 5.12 3.52 -1.26 -1.83 118.95 125.03 3msp s ARG 117 Ca 0.09 -0.86 -0.07 0.00 -0.13 0.00 0.00 55.73 54.76 3msp s ARG 117 Cb -0.10 -1.10 -0.01 0.00 -1.56 0.00 0.00 34.95 32.19 3msp s ARG 117 CO -0.01 0.27 0.14 0.21 -0.81 0.00 0.00 175.30 175.10 3msp s LYS 118 N -1.30 0.78 0.06 5.12 2.20 0.09 -4.98 119.74 121.71 3msp s LYS 118 Ca 0.03 -0.99 0.06 0.00 -0.36 0.00 0.00 55.97 54.70 3msp s LYS 118 Cb -0.09 0.31 -0.03 0.00 -1.51 0.00 0.00 37.83 36.52 3msp s LYS 118 CO 0.02 -0.23 -0.16 -0.80 -0.36 0.00 0.00 175.35 173.82 3msp s ASN 119 N -2.82 1.87 -0.39 1.43 0.01 -1.26 -1.50 114.94 112.28 3msp s ASN 119 Ca 0.05 -0.55 0.02 0.00 -0.71 0.00 0.00 52.86 51.66 3msp s ASN 119 Cb 0.05 -0.10 0.15 0.00 0.41 0.00 0.00 41.25 41.76 3msp s ASN 119 CO -0.10 0.01 0.26 -0.76 -1.51 0.00 0.00 177.10 175.00 3msp s LEU 120 N -1.47 1.38 0.58 0.60 2.01 -0.85 -4.86 118.68 116.07 3msp s LEU 120 Ca 0.02 -2.54 -0.20 0.00 0.01 0.00 0.00 54.13 51.41 3msp s LEU 120 Cb -0.09 -0.51 -0.03 0.00 0.01 0.00 0.00 46.19 45.57 3msp s LEU 120 CO 0.02 -0.26 1.34 -2.16 1.01 0.00 0.00 176.35 176.31 3msp s PRO 121 N 0.63 2.92 0.10 1.29 0.04 -1.26 -2.38 135.00 136.34 3msp s PRO 121 Ca 0.23 2.19 0.01 0.00 0.04 0.00 0.00 61.00 63.47 3msp s PRO 121 Cb -0.15 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 3msp s PRO 121 CO -0.06 -1.35 0.23 0.42 0.04 0.00 0.00 177.00 176.28 3msp s ILE 122 N -1.33 5.26 0.03 0.56 -1.09 -0.91 -2.08 121.20 121.65 3msp s ILE 122 Ca 0.76 -0.56 -0.02 0.00 -2.23 0.00 0.00 60.65 58.59 3msp s ILE 122 Cb -0.40 -3.62 -0.02 0.00 -1.58 0.00 0.00 42.46 36.84 3msp s ILE 122 CO 0.45 0.04 0.02 -0.70 -1.23 0.00 0.00 174.94 173.52 3msp s GLU 123 N -2.81 0.50 -0.16 2.79 2.56 0.35 -4.88 118.70 117.05 3msp s GLU 123 Ca 0.34 -0.83 -0.01 0.00 0.00 0.00 0.00 54.97 54.47 3msp s GLU 123 Cb -0.12 0.18 -0.01 0.00 2.00 0.00 0.00 34.13 36.18 3msp s GLU 123 CO 0.28 -0.10 -0.11 0.71 -0.56 0.00 0.00 175.26 175.48 3msp s TYR 124 N -2.56 2.86 -0.87 5.30 1.51 -1.26 -0.22 117.35 122.11 3msp s TYR 124 Ca -0.06 -0.75 -0.03 0.00 -1.01 0.00 0.00 57.07 55.22 3msp s TYR 124 Cb -0.02 -1.92 0.22 0.00 -0.11 0.00 0.00 41.96 40.13 3msp s TYR 124 CO -0.05 -0.32 0.76 1.21 -1.11 0.00 0.00 175.55 176.05 3msp s ASN 125 N 0.69 6.04 0.00 2.29 2.47 -1.04 -4.96 114.94 120.42 3msp s ASN 125 Ca -0.05 -3.56 0.29 0.00 0.42 0.00 0.00 52.86 49.96 3msp s ASN 125 Cb -0.15 -1.94 1.75 0.00 -1.45 0.00 0.00 41.25 39.46 3msp s ASN 125 CO 0.02 -0.23 2.09 0.18 -3.72 0.00 0.00 177.10 175.44