#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 -2.75 -2.43 0.00 6.02 -1.26 -5.03 117.38 111.93 3msp n GLN 2 Ca 0.00 2.31 -0.13 0.00 -0.01 0.00 0.00 57.00 59.17 3msp n GLN 2 Cb 0.00 -4.04 0.03 0.00 1.02 0.00 0.00 30.24 27.26 3msp n GLN 2 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3msp n SER 3 N 1.08 1.52 -4.53 1.08 7.64 -1.26 -5.08 113.62 114.07 3msp n SER 3 Ca -0.05 -2.04 -0.34 0.00 1.01 0.00 0.00 58.87 57.45 3msp n SER 3 Cb 0.21 -0.22 0.11 0.00 -1.01 0.00 0.00 64.21 63.29 3msp n SER 3 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 3msp n VAL 4 N -1.72 1.14 -1.22 0.44 0.24 -1.26 -4.99 118.33 110.96 3msp n VAL 4 Ca 0.08 -0.24 -0.29 0.00 -2.04 0.00 0.00 64.34 61.85 3msp n VAL 4 Cb 0.39 -0.85 0.18 0.00 -1.47 0.00 0.00 33.84 32.09 3msp n VAL 4 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3msp s PRO 5 N -3.58 0.19 0.33 7.34 0.04 -1.26 -4.98 135.00 133.07 3msp s PRO 5 Ca 0.65 0.34 -0.29 0.00 0.04 0.00 0.00 61.00 61.74 3msp s PRO 5 Cb -0.28 -1.72 -0.11 0.00 0.04 0.00 0.00 34.50 32.43 3msp s PRO 5 CO 0.59 -2.85 1.40 -1.25 0.04 0.00 0.00 177.00 174.93 3msp s PRO 6 N -5.11 4.25 0.00 0.56 0.04 -1.26 -5.02 135.00 128.45 3msp s PRO 6 Ca 0.66 2.36 0.00 0.00 0.04 0.00 0.00 61.00 64.07 3msp s PRO 6 Cb -0.16 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.34 3msp s PRO 6 CO 0.57 -0.36 0.00 0.41 0.04 0.00 0.00 177.00 177.65 3msp n GLY 7 N 1.02 -1.72 3.61 0.56 0.00 -1.26 -4.93 105.19 102.48 3msp n GLY 7 Ca 0.02 -1.25 -0.29 0.00 0.00 0.00 0.00 46.02 44.51 3msp n GLY 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3msp s ASP 8 N -1.59 4.55 -0.17 1.61 1.11 -1.26 -4.98 116.67 115.95 3msp s ASP 8 Ca 0.00 -0.39 -0.03 0.00 0.18 0.00 0.00 52.55 52.31 3msp s ASP 8 Cb 0.00 -0.91 -0.02 0.00 1.07 0.00 0.00 42.92 43.06 3msp s ASP 8 CO 0.00 0.14 -0.06 0.27 1.18 0.00 0.00 175.17 176.71 3msp s ILE 9 N -1.43 3.60 0.56 0.77 -5.25 -1.26 -2.53 121.20 115.66 3msp s ILE 9 Ca 0.24 -0.45 -0.18 0.00 -0.99 0.00 0.00 60.65 59.27 3msp s ILE 9 Cb -0.10 -2.58 -0.05 0.00 2.95 0.00 0.00 42.46 42.68 3msp s ILE 9 CO 0.16 0.48 1.07 0.20 -1.79 0.00 0.00 174.94 175.06 3msp s ASN 10 N 0.63 5.87 -0.05 4.36 0.01 -0.71 -4.81 114.94 120.26 3msp s ASN 10 Ca -0.03 1.93 -0.07 0.00 -0.71 0.00 0.00 52.86 53.98 3msp s ASN 10 Cb -0.15 -2.55 0.01 0.00 0.41 0.00 0.00 41.25 38.97 3msp s ASN 10 CO 0.02 -1.11 0.17 0.42 -1.51 0.00 0.00 177.10 175.10 3msp s THR 11 N -2.18 0.02 -0.22 1.60 -4.23 -1.26 -1.28 115.64 108.10 3msp s THR 11 Ca 0.67 -0.21 0.01 0.00 -1.18 0.00 0.00 61.69 60.98 3msp s THR 11 Cb -0.18 -0.31 0.06 0.00 1.34 0.00 0.00 72.50 73.40 3msp s THR 11 CO 0.30 -0.11 -0.06 -1.10 -0.54 0.00 0.00 174.62 173.11 3msp s GLN 12 N -0.36 1.64 1.14 3.99 -0.21 -0.81 -1.46 119.66 123.60 3msp s GLN 12 Ca -0.04 -0.92 -0.13 0.00 0.02 0.00 0.00 55.36 54.29 3msp s GLN 12 Cb -0.03 -2.51 0.27 0.00 1.00 0.00 0.00 33.01 31.74 3msp s GLN 12 CO 0.01 -0.56 1.04 -2.14 -2.12 0.00 0.00 175.29 171.52 3msp s PRO 13 N 1.42 -0.72 0.28 2.91 0.02 -1.26 -2.13 135.00 135.52 3msp s PRO 13 Ca -0.05 0.88 -0.04 0.00 0.02 0.00 0.00 61.00 61.82 3msp s PRO 13 Cb -0.18 -1.57 0.54 0.00 0.02 0.00 0.00 34.50 33.30 3msp s PRO 13 CO -0.07 -3.60 1.48 0.45 -0.33 0.00 0.00 177.00 174.93 3msp n SER 14 N -4.84 -0.26 0.00 2.53 2.88 -0.53 -4.75 113.62 108.65 3msp n SER 14 Ca 0.04 1.62 0.00 0.00 -1.33 0.00 0.00 58.87 59.20 3msp n SER 14 Cb 0.54 -0.53 0.00 0.00 -0.75 0.00 0.00 64.21 63.48 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 -5.49 0.00 -2.59 -1.46 0.00 -1.26 -4.13 117.38 102.44 3msp n GLN 15 Ca 0.18 0.00 -0.43 0.00 -0.00 0.00 0.00 57.00 56.75 3msp n GLN 15 Cb 0.56 0.00 -0.02 0.00 0.00 0.00 0.00 30.24 30.78 3msp n GLN 15 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 3msp s LYS 16 N 0.00 3.83 -0.13 3.69 2.20 -1.26 -4.15 119.74 123.91 3msp s LYS 16 Ca 0.00 0.77 -0.01 0.00 -0.36 0.00 0.00 55.97 56.37 3msp s LYS 16 Cb 0.00 -3.86 -0.02 0.00 -1.51 0.00 0.00 37.83 32.44 3msp s LYS 16 CO 0.00 -1.24 -0.11 -1.50 -0.36 0.00 0.00 175.35 172.14 3msp s ILE 17 N 4.26 3.20 -0.81 5.43 2.07 -1.05 -4.99 121.20 129.31 3msp s ILE 17 Ca 0.48 -0.61 -0.08 0.00 -1.41 0.00 0.00 60.65 59.03 3msp s ILE 17 Cb -0.09 -2.35 0.21 0.00 0.13 0.00 0.00 42.46 40.35 3msp s ILE 17 CO 0.27 0.52 0.71 -0.69 -1.91 0.00 0.00 174.94 173.83 3msp s VAL 18 N 0.34 4.90 -0.66 4.00 1.01 -1.26 -1.10 120.40 127.63 3msp s VAL 18 Ca -0.10 -2.94 -0.29 0.00 0.00 0.00 0.00 61.98 58.65 3msp s VAL 18 Cb -0.16 -4.05 -0.13 0.00 0.00 0.00 0.00 36.38 32.04 3msp s VAL 18 CO 0.05 -1.01 2.50 0.49 0.00 0.00 0.00 175.10 177.13 3msp n PHE 19 N 3.43 1.14 -2.36 5.22 3.01 -0.04 -4.56 117.46 123.29 3msp n PHE 19 Ca 0.14 0.23 -0.41 0.00 1.01 0.00 0.00 57.45 58.42 3msp n PHE 19 Cb 0.42 -2.54 -0.03 0.00 -0.01 0.00 0.00 39.48 37.32 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 10.55 7.09 0.99 4.37 0.01 -1.26 -1.77 114.94 134.91 3msp s ASN 20 Ca 1.13 2.34 -0.12 0.00 -0.71 0.00 0.00 52.86 55.50 3msp s ASN 20 Cb -0.64 -2.62 0.18 0.00 0.41 0.00 0.00 41.25 38.58 3msp s ASN 20 CO 0.37 -0.32 1.10 0.00 -1.51 0.00 0.00 177.10 176.73 3msp s ALA 21 N -0.67 1.03 0.81 0.60 0.00 -0.80 -4.74 121.76 117.98 3msp s ALA 21 Ca 0.49 -0.36 -0.12 0.00 0.00 0.00 0.00 51.96 51.97 3msp s ALA 21 Cb -0.34 -3.11 0.08 0.00 0.00 0.00 0.00 23.12 19.74 3msp s ALA 21 CO 0.41 -2.79 1.11 -1.25 0.00 0.00 0.00 175.76 173.25 3msp s PRO 22 N -4.99 1.99 -0.36 0.00 0.04 -1.26 -5.05 135.00 125.37 3msp s PRO 22 Ca 0.65 0.50 0.07 0.00 0.04 0.00 0.00 61.00 62.26 3msp s PRO 22 Cb -0.18 -1.92 0.56 0.00 0.04 0.00 0.00 34.50 33.00 3msp s PRO 22 CO 0.57 -1.65 1.64 0.66 0.04 0.00 0.00 177.00 178.26 3msp n TYR 23 N -3.43 1.88 -0.01 0.56 4.01 -1.26 -4.44 117.16 114.46 3msp n TYR 23 Ca 0.07 -1.75 0.10 0.00 -0.16 0.00 0.00 57.90 56.16 3msp n TYR 23 Cb 0.57 -0.68 0.21 0.00 -0.31 0.00 0.00 39.34 39.14 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 -1.13 3.32 -4.13 7.72 2.03 -1.26 -2.31 116.55 120.80 3msp n ASP 24 Ca 0.44 -1.95 -0.13 0.00 0.52 0.00 0.00 54.79 53.68 3msp n ASP 24 Cb 1.26 -0.29 -0.11 0.00 -0.72 0.00 0.00 41.12 41.26 3msp n ASP 24 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 3msp s ASP 25 N -1.15 1.10 0.13 1.67 1.11 -1.26 -4.72 116.67 113.54 3msp s ASP 25 Ca 0.35 -0.77 -0.31 0.00 0.18 0.00 0.00 52.55 52.01 3msp s ASP 25 Cb 0.19 0.05 -0.07 0.00 1.07 0.00 0.00 42.92 44.16 3msp s ASP 25 CO 0.26 -0.31 1.28 -0.54 1.18 0.00 0.00 175.17 177.05 3msp s LYS 26 N -2.63 4.40 -0.33 8.23 1.02 -1.26 -4.50 119.74 124.66 3msp s LYS 26 Ca 0.01 1.95 -0.01 0.00 0.02 0.00 0.00 55.97 57.94 3msp s LYS 26 Cb -0.03 -3.26 0.13 0.00 -0.52 0.00 0.00 37.83 34.15 3msp s LYS 26 CO -0.01 -0.28 0.19 -1.01 -0.92 0.00 0.00 175.35 173.32 3msp s HIS 27 N 0.64 0.55 -0.39 3.18 3.76 -1.25 -5.05 115.29 116.74 3msp s HIS 27 Ca 0.59 -1.36 -0.29 0.00 -0.15 0.00 0.00 55.06 53.85 3msp s HIS 27 Cb -0.34 -0.89 0.01 0.00 1.11 0.00 0.00 32.58 32.48 3msp s HIS 27 CO 0.33 -0.83 1.35 0.99 -0.85 0.00 0.00 174.74 175.73 3msp s THR 28 N 1.41 4.00 -0.47 1.30 2.01 -1.26 -4.36 115.64 118.27 3msp s THR 28 Ca 0.15 1.05 -0.17 0.00 0.31 0.00 0.00 61.69 63.04 3msp s THR 28 Cb -0.21 -4.24 0.06 0.00 0.01 0.00 0.00 72.50 68.12 3msp s THR 28 CO -0.11 -0.71 0.45 -0.31 -0.69 0.00 0.00 174.62 173.25 3msp s TYR 29 N 5.04 3.18 -0.19 4.92 1.51 -1.09 -4.85 117.35 125.87 3msp s TYR 29 Ca 0.58 -0.72 -0.29 0.00 -1.01 0.00 0.00 57.07 55.63 3msp s TYR 29 Cb -0.14 -3.17 0.00 0.00 -0.11 0.00 0.00 41.96 38.55 3msp s TYR 29 CO 0.30 -0.82 1.06 -1.01 -1.11 0.00 0.00 175.55 173.97 3msp s HIS 30 N 1.96 3.32 -0.19 2.71 3.76 -1.26 -1.47 115.29 124.12 3msp s HIS 30 Ca 0.08 1.44 -0.04 0.00 -0.15 0.00 0.00 55.06 56.39 3msp s HIS 30 Cb -0.21 -3.28 -0.02 0.00 1.11 0.00 0.00 32.58 30.17 3msp s HIS 30 CO 0.09 -0.58 -0.03 0.42 -0.85 0.00 0.00 174.74 173.80 3msp s ILE 31 N 2.95 3.74 0.25 0.60 1.01 -0.02 -4.70 121.20 125.03 3msp s ILE 31 Ca 0.46 -0.39 -0.02 0.00 0.00 0.00 0.00 60.65 60.71 3msp s ILE 31 Cb -0.17 -2.68 -0.04 0.00 0.01 0.00 0.00 42.46 39.58 3msp s ILE 31 CO 0.10 0.45 0.46 -0.54 0.00 0.00 0.00 174.94 175.40 3msp s LYS 32 N 0.92 3.55 0.08 2.79 3.01 -0.91 -0.92 119.74 128.26 3msp s LYS 32 Ca 0.00 -0.25 0.03 0.00 -1.01 0.00 0.00 55.97 54.75 3msp s LYS 32 Cb -0.14 -2.76 -0.03 0.00 -1.01 0.00 0.00 37.83 33.88 3msp s LYS 32 CO 0.01 0.31 -0.09 0.42 0.51 0.00 0.00 175.35 176.51 3msp s ILE 33 N -1.99 0.83 0.02 2.17 1.01 -0.92 -1.93 121.20 120.38 3msp s ILE 33 Ca 0.40 -1.50 -0.07 0.00 0.00 0.00 0.00 60.65 59.47 3msp s ILE 33 Cb -0.11 -1.18 -0.00 0.00 0.01 0.00 0.00 42.46 41.18 3msp s ILE 33 CO 0.30 -0.52 0.14 -0.89 0.00 0.00 0.00 174.94 173.97 3msp s THR 34 N -2.21 0.10 -0.48 2.92 2.01 -0.40 -1.15 115.64 116.43 3msp s THR 34 Ca 0.02 -0.80 -0.16 0.00 0.31 0.00 0.00 61.69 61.05 3msp s THR 34 Cb -0.04 -0.60 0.07 0.00 0.01 0.00 0.00 72.50 71.93 3msp s THR 34 CO -0.00 -0.44 0.45 0.21 -0.69 0.00 0.00 174.62 174.15 3msp s ASN 35 N -1.64 6.17 -0.17 3.53 3.04 -0.93 -1.73 114.94 123.21 3msp s ASN 35 Ca -0.11 -1.20 0.08 0.00 0.04 0.00 0.00 52.86 51.67 3msp s ASN 35 Cb -0.05 -2.21 0.53 0.00 -1.54 0.00 0.00 41.25 37.97 3msp s ASN 35 CO -0.00 -0.70 1.34 0.00 -3.04 0.00 0.00 177.10 174.69 3msp n ALA 36 N 5.45 3.51 -2.56 1.71 0.00 -1.05 -0.98 120.51 126.59 3msp n ALA 36 Ca -0.11 -1.30 0.00 0.00 0.00 0.00 0.00 53.44 52.03 3msp n ALA 36 Cb 0.44 -1.10 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 0.32 4.26 2.05 0.00 0.00 -1.26 -4.64 105.19 105.93 3msp n GLY 37 Ca 0.20 -2.05 -0.25 0.00 0.00 0.00 0.00 46.02 43.92 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 6.36 0.00 -0.02 0.00 -1.26 -4.44 105.19 110.84 3msp n GLY 38 Ca 0.00 -2.65 0.00 0.00 0.00 0.00 0.00 46.02 43.37 3msp n GLY 38 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3msp n ARG 39 N -0.71 0.00 -0.59 1.61 1.85 -1.26 -4.98 116.66 112.58 3msp n ARG 39 Ca 0.45 0.00 -0.31 0.00 -1.00 0.00 0.00 57.85 56.99 3msp n ARG 39 Cb 0.94 0.00 0.21 0.00 -1.05 0.00 0.00 32.46 32.56 3msp n ARG 39 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 3msp n ARG 40 N -0.21 -2.04 -3.45 2.89 1.85 -1.26 -4.34 116.66 110.10 3msp n ARG 40 Ca 0.00 -0.58 -0.00 0.00 -1.00 0.00 0.00 57.85 56.27 3msp n ARG 40 Cb 0.00 -1.87 -0.04 0.00 -1.05 0.00 0.00 32.46 29.50 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 -2.29 -0.95 -0.48 8.89 -4.36 -0.89 -3.88 121.20 117.25 3msp s ILE 41 Ca 0.61 0.01 -0.28 0.00 -0.26 0.00 0.00 60.65 60.73 3msp s ILE 41 Cb -0.17 -0.96 0.00 0.00 1.25 0.00 0.00 42.46 42.58 3msp s ILE 41 CO 0.66 -0.00 1.50 -0.83 0.24 0.00 0.00 174.94 176.51 3msp s GLY 42 N 2.84 0.89 0.24 6.27 0.00 -0.68 -2.08 107.32 114.80 3msp s GLY 42 Ca 0.06 -0.36 0.06 0.00 0.00 0.00 0.00 44.72 44.48 3msp s GLY 42 CO -0.19 2.91 0.25 0.66 0.00 0.00 0.00 173.10 176.72 3msp s TRP 43 N 6.21 3.24 -0.04 1.90 1.48 -0.87 -2.27 118.94 128.59 3msp s TRP 43 Ca 0.61 -0.07 -0.08 0.00 -1.06 0.00 0.00 56.10 55.50 3msp s TRP 43 Cb -0.13 -1.47 0.01 0.00 -1.16 0.00 0.00 33.47 30.71 3msp s TRP 43 CO 0.29 0.50 0.19 0.00 -4.06 0.00 0.00 176.95 173.86 3msp s ALA 44 N -2.04 -0.47 0.12 2.67 0.00 -0.79 -2.22 121.76 119.04 3msp s ALA 44 Ca 0.33 0.27 0.09 0.00 0.00 0.00 0.00 51.96 52.65 3msp s ALA 44 Cb -0.09 -0.11 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 3msp s ALA 44 CO 0.26 -0.16 -0.22 0.42 0.00 0.00 0.00 175.76 176.07 3msp s ILE 45 N -0.65 1.86 0.16 0.00 -1.09 -0.90 -1.21 121.20 119.38 3msp s ILE 45 Ca -0.07 -1.67 -0.13 0.00 -2.23 0.00 0.00 60.65 56.54 3msp s ILE 45 Cb -0.04 -1.71 0.01 0.00 -1.58 0.00 0.00 42.46 39.14 3msp s ILE 45 CO 0.01 -0.08 0.38 -0.54 -1.23 0.00 0.00 174.94 173.48 3msp s LYS 46 N -2.13 1.18 0.02 2.79 1.02 -0.52 -4.85 119.74 117.26 3msp s LYS 46 Ca 0.10 -0.95 0.00 0.00 0.02 0.00 0.00 55.97 55.14 3msp s LYS 46 Cb -0.09 0.44 -0.02 0.00 -0.52 0.00 0.00 37.83 37.64 3msp s LYS 46 CO 0.05 -0.46 -0.04 0.95 -0.92 0.00 0.00 175.35 174.94 3msp s THR 47 N -3.89 0.18 0.51 2.17 -4.23 -1.26 -0.96 115.64 108.16 3msp s THR 47 Ca 0.10 -0.92 0.30 0.00 -1.18 0.00 0.00 61.69 59.99 3msp s THR 47 Cb 0.02 -0.31 0.48 0.00 1.34 0.00 0.00 72.50 74.03 3msp s THR 47 CO -0.05 -0.47 1.86 0.71 -0.54 0.00 0.00 174.62 176.13 3msp h THR 48 N 4.63 0.54 -3.25 3.99 1.35 -1.87 -3.36 112.91 114.93 3msp h THR 48 Ca -0.32 -0.03 -0.44 0.00 -0.55 0.00 0.00 66.41 65.06 3msp h THR 48 Cb 1.21 0.45 -0.39 0.00 -1.73 0.00 0.00 68.15 67.70 3msp h THR 48 CO 0.41 0.01 -0.76 0.20 -0.25 0.00 0.00 175.52 175.13 3msp s ASN 49 N -5.51 1.80 -0.08 5.36 -0.87 -1.26 -5.00 114.94 109.38 3msp s ASN 49 Ca -0.06 -0.22 0.09 0.00 -1.57 0.00 0.00 52.86 51.10 3msp s ASN 49 Cb 0.22 -0.42 0.39 0.00 -0.02 0.00 0.00 41.25 41.42 3msp s ASN 49 CO 0.78 -0.23 1.18 0.23 -2.57 0.00 0.00 177.10 176.50 3msp n MET 50 N 5.16 2.60 -0.06 -0.60 2.81 -1.26 -2.86 117.12 122.91 3msp n MET 50 Ca -0.07 -1.51 -0.12 0.00 -1.81 0.00 0.00 57.70 54.19 3msp n MET 50 Cb 0.49 -1.68 -0.04 0.00 -0.71 0.00 0.00 33.22 31.28 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 0.41 0.34 0.13 0.03 5.12 -1.26 -4.75 116.66 116.68 3msp n ARG 51 Ca 0.14 0.14 -0.25 0.00 -1.93 0.00 0.00 57.85 55.95 3msp n ARG 51 Cb 0.59 -1.08 -0.16 0.00 -1.16 0.00 0.00 32.46 30.65 3msp n ARG 51 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3msp h ARG 52 N -0.61 0.52 -5.03 5.56 2.47 -1.94 -3.44 114.38 111.91 3msp h ARG 52 Ca -0.22 -0.88 -0.64 0.00 -1.26 0.00 0.00 59.98 56.97 3msp h ARG 52 Cb 1.00 0.33 -0.22 0.00 -1.65 0.00 0.00 29.97 29.44 3msp h ARG 52 CO -0.13 1.42 -0.62 -0.51 0.56 0.00 0.00 179.97 180.69 3msp s LEU 53 N -7.56 3.47 -0.27 3.04 1.43 -1.13 -3.82 118.68 113.84 3msp s LEU 53 Ca -0.10 -0.16 0.03 0.00 -1.03 0.00 0.00 54.13 52.87 3msp s LEU 53 Cb 0.04 -1.91 0.07 0.00 0.03 0.00 0.00 46.19 44.42 3msp s LEU 53 CO 0.93 0.02 -0.07 -0.44 0.23 0.00 0.00 176.35 177.02 3msp s SER 54 N 1.31 4.41 -0.18 2.29 0.01 -1.00 -4.14 113.70 116.40 3msp s SER 54 Ca 0.05 -1.52 -0.13 0.00 1.31 0.00 0.00 55.95 55.66 3msp s SER 54 Cb -0.15 -1.49 -0.05 0.00 0.21 0.00 0.00 66.02 64.54 3msp s SER 54 CO 0.03 -0.24 0.24 0.68 0.41 0.00 0.00 173.24 174.36 3msp s VAL 55 N 1.12 5.33 -0.00 3.43 -7.23 -1.26 -2.01 120.40 119.78 3msp s VAL 55 Ca -0.04 0.42 -0.00 0.00 -1.81 0.00 0.00 61.98 60.54 3msp s VAL 55 Cb -0.20 -3.58 -0.00 0.00 0.56 0.00 0.00 36.38 33.16 3msp s VAL 55 CO -0.06 0.39 0.01 -1.81 -0.31 0.00 0.00 175.10 173.31 3msp s ASP 56 N 0.55 0.01 0.54 4.85 1.01 -1.01 -3.93 116.67 118.69 3msp s ASP 56 Ca 0.13 -0.03 -0.17 0.00 0.71 0.00 0.00 52.55 53.20 3msp s ASP 56 Cb -0.13 0.03 -0.06 0.00 1.01 0.00 0.00 42.92 43.77 3msp s ASP 56 CO 0.02 -0.03 1.03 -2.84 0.21 0.00 0.00 175.17 173.56 3msp s PRO 57 N -0.13 3.62 0.09 8.23 0.02 -1.26 -1.76 135.00 143.81 3msp s PRO 57 Ca -0.01 1.18 0.20 0.00 0.02 0.00 0.00 61.00 62.38 3msp s PRO 57 Cb -0.01 -2.08 0.84 0.00 0.02 0.00 0.00 34.50 33.27 3msp s PRO 57 CO -0.00 -0.56 1.64 -0.35 -0.33 0.00 0.00 177.00 177.40 3msp n PRO 58 N -1.62 0.08 -3.57 5.54 -0.04 -1.25 -4.69 135.00 129.44 3msp n PRO 58 Ca 0.08 0.25 -0.06 0.00 -0.04 0.00 0.00 63.50 63.74 3msp n PRO 58 Cb 0.53 -1.63 -0.02 0.00 -0.04 0.00 0.00 33.50 32.34 3msp n PRO 58 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3msp n GLY 60 N -0.04 1.56 3.70 0.00 0.00 -0.94 -5.01 105.19 104.45 3msp n GLY 60 Ca -0.03 -0.27 -0.39 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.80 5.10 0.38 1.61 1.01 -1.26 -2.04 120.40 123.39 3msp s VAL 61 Ca 0.00 1.15 0.05 0.00 0.00 0.00 0.00 61.98 63.18 3msp s VAL 61 Cb 0.00 -3.91 -0.01 0.00 0.00 0.00 0.00 36.38 32.46 3msp s VAL 61 CO 0.00 0.24 0.54 -0.22 0.00 0.00 0.00 175.10 175.66 3msp s LEU 62 N 1.05 3.85 0.41 3.92 0.20 -0.88 -4.90 118.68 122.33 3msp s LEU 62 Ca 0.30 -0.05 0.07 0.00 0.69 0.00 0.00 54.13 55.14 3msp s LEU 62 Cb -0.16 -2.87 -0.07 0.00 -0.43 0.00 0.00 46.19 42.66 3msp s LEU 62 CO 0.12 -0.54 0.07 -1.81 -0.29 0.00 0.00 176.35 173.91 3msp s ASP 63 N -4.20 4.10 -0.19 3.68 1.01 -1.26 -2.09 116.67 117.73 3msp s ASP 63 Ca 0.47 -1.23 -0.31 0.00 0.71 0.00 0.00 52.55 52.19 3msp s ASP 63 Cb -0.10 -0.44 -0.08 0.00 1.01 0.00 0.00 42.92 43.32 3msp s ASP 63 CO 0.33 -0.47 2.13 -2.65 0.21 0.00 0.00 175.17 174.73 3msp n PRO 64 N -1.07 1.94 -2.89 8.23 -0.02 -1.26 -1.54 135.00 138.39 3msp n PRO 64 Ca -0.03 0.59 -0.20 0.00 -2.02 0.00 0.00 63.50 61.84 3msp n PRO 64 Cb 0.66 -2.96 0.03 0.00 -0.02 0.00 0.00 33.50 31.21 3msp n PRO 64 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3msp n LYS 65 N 8.16 -4.15 -4.00 -0.52 4.81 -0.16 -4.99 118.16 117.32 3msp n LYS 65 Ca 0.30 0.81 -0.26 0.00 -0.87 0.00 0.00 58.31 58.28 3msp n LYS 65 Cb 0.37 -5.43 -0.04 0.00 0.02 0.00 0.00 35.03 29.95 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 -5.52 3.23 0.26 1.64 0.41 -0.59 -4.81 118.70 113.32 3msp s GLU 66 Ca 0.25 -0.69 0.08 0.00 -0.41 0.00 0.00 54.97 54.20 3msp s GLU 66 Cb -0.11 -2.85 -0.04 0.00 -1.78 0.00 0.00 34.13 29.35 3msp s GLU 66 CO 0.31 0.51 0.10 0.15 -0.49 0.00 0.00 175.26 175.84 3msp s LYS 67 N -3.14 2.60 0.02 1.61 1.02 -1.26 -2.18 119.74 118.42 3msp s LYS 67 Ca 0.33 -1.25 -0.06 0.00 0.02 0.00 0.00 55.97 55.01 3msp s LYS 67 Cb -0.11 -2.36 -0.00 0.00 -0.52 0.00 0.00 37.83 34.84 3msp s LYS 67 CO 0.26 0.37 0.11 0.08 -0.92 0.00 0.00 175.35 175.25 3msp s VAL 68 N -2.24 0.10 -0.18 3.17 1.01 -0.30 -4.96 120.40 117.00 3msp s VAL 68 Ca 0.32 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.41 3msp s VAL 68 Cb -0.07 -0.59 -0.02 0.00 0.00 0.00 0.00 36.38 35.70 3msp s VAL 68 CO 0.22 -0.47 -0.05 -0.22 0.00 0.00 0.00 175.10 174.58 3msp s LEU 69 N -1.67 2.99 0.24 3.92 2.96 -1.26 -2.16 118.68 123.69 3msp s LEU 69 Ca -0.11 -0.29 0.11 0.00 -0.22 0.00 0.00 54.13 53.62 3msp s LEU 69 Cb -0.05 -1.73 -0.05 0.00 0.50 0.00 0.00 46.19 44.85 3msp s LEU 69 CO -0.01 0.08 -0.20 -0.32 -1.32 0.00 0.00 176.35 174.58 3msp s MET 70 N 0.91 1.55 -0.02 1.98 1.75 -0.10 -4.52 119.30 120.85 3msp s MET 70 Ca -0.01 -1.66 0.01 0.00 -1.25 0.00 0.00 55.69 52.78 3msp s MET 70 Cb -0.15 -1.63 0.01 0.00 2.84 0.00 0.00 34.83 35.90 3msp s MET 70 CO 0.01 0.31 -0.03 0.00 -0.65 0.00 0.00 175.02 174.66 3msp s ALA 71 N -2.40 0.38 -0.58 4.11 0.00 -0.72 -0.84 121.76 121.71 3msp s ALA 71 Ca 0.26 -0.06 -0.01 0.00 0.00 0.00 0.00 51.96 52.14 3msp s ALA 71 Cb -0.05 -0.20 0.15 0.00 0.00 0.00 0.00 23.12 23.02 3msp s ALA 71 CO 0.12 0.03 0.37 0.08 0.00 0.00 0.00 175.76 176.36 3msp s VAL 72 N 0.35 3.43 0.09 0.00 1.01 -0.54 -2.41 120.40 122.32 3msp s VAL 72 Ca -0.04 -2.91 -0.31 0.00 0.00 0.00 0.00 61.98 58.73 3msp s VAL 72 Cb -0.07 -3.28 -0.07 0.00 0.00 0.00 0.00 36.38 32.96 3msp s VAL 72 CO -0.01 -0.84 1.35 -0.44 0.00 0.00 0.00 175.10 175.17 3msp s SER 73 N 0.65 6.88 -0.01 3.32 0.01 -0.85 -2.68 113.70 121.02 3msp s SER 73 Ca 0.16 2.23 0.04 0.00 1.31 0.00 0.00 55.95 59.69 3msp s SER 73 Cb -0.21 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.42 3msp s SER 73 CO -0.03 -0.62 -0.12 0.00 0.41 0.00 0.00 173.24 172.88 3msp s ASP 75 N -0.31 4.85 -0.24 0.00 1.11 -1.25 -3.80 116.67 117.03 3msp s ASP 75 Ca 0.05 -0.29 -0.32 0.00 0.18 0.00 0.00 52.55 52.16 3msp s ASP 75 Cb -0.05 -1.08 -0.09 0.00 1.07 0.00 0.00 42.92 42.78 3msp s ASP 75 CO -0.00 0.14 2.15 0.35 1.18 0.00 0.00 175.17 178.98 3msp n THR 76 N 0.28 0.33 -4.12 -1.27 -2.24 -1.26 -4.93 114.28 101.07 3msp n THR 76 Ca -0.11 -0.32 -0.08 0.00 -2.27 0.00 0.00 64.05 61.28 3msp n THR 76 Cb 0.53 -2.08 -0.01 0.00 -2.10 0.00 0.00 70.33 66.66 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 10.05 0.11 -4.88 4.78 -1.74 -0.98 -4.98 117.46 119.82 3msp n PHE 77 Ca 0.33 -0.63 -0.32 0.00 -0.56 0.00 0.00 57.45 56.27 3msp n PHE 77 Cb 0.34 -0.09 -0.17 0.00 1.52 0.00 0.00 39.48 41.08 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 -1.72 3.11 -0.19 5.98 0.01 -1.26 -4.56 114.94 116.30 3msp s ASN 78 Ca 0.01 -0.59 0.15 0.00 -0.71 0.00 0.00 52.86 51.73 3msp s ASN 78 Cb -0.00 -1.43 0.67 0.00 0.41 0.00 0.00 41.25 40.90 3msp s ASN 78 CO 0.01 0.11 1.58 0.00 -1.51 0.00 0.00 177.10 177.29 3msp n ALA 79 N 3.86 3.36 0.05 0.60 0.00 -1.26 -4.16 120.51 122.96 3msp n ALA 79 Ca -0.20 -2.02 0.01 0.00 0.00 0.00 0.00 53.44 51.23 3msp n ALA 79 Cb 0.52 -0.91 -0.07 0.00 0.00 0.00 0.00 19.45 18.99 3msp n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3msp h ALA 80 N 3.01 0.64 0.00 0.00 0.00 -2.00 -3.38 119.26 117.53 3msp h ALA 80 Ca 0.00 -0.74 -0.13 0.00 0.00 0.00 0.00 54.91 54.04 3msp h ALA 80 Cb 1.66 0.23 -0.28 0.00 0.00 0.00 0.00 17.79 19.39 3msp h ALA 80 CO 0.33 0.81 -0.88 0.25 0.00 0.00 0.00 179.25 179.76 3msp n THR 81 N -2.90 0.48 -3.75 0.00 -2.24 -1.26 -5.05 114.28 99.56 3msp n THR 81 Ca -0.08 -1.41 -0.14 0.00 -2.27 0.00 0.00 64.05 60.15 3msp n THR 81 Cb 0.80 0.70 -0.15 0.00 -2.10 0.00 0.00 70.33 69.58 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 -0.70 0.05 0.55 -0.78 2.02 -1.26 -5.14 118.70 113.44 3msp s GLU 82 Ca 0.33 0.34 -0.21 0.00 0.02 0.00 0.00 54.97 55.44 3msp s GLU 82 Cb 0.36 -0.21 -0.05 0.00 0.10 0.00 0.00 34.13 34.33 3msp s GLU 82 CO -0.14 -0.18 1.21 -0.25 0.02 0.00 0.00 175.26 175.93 3msp n ASP 83 N 4.30 2.00 -2.13 -0.19 9.92 -1.26 -4.74 116.55 124.44 3msp n ASP 83 Ca -0.25 0.94 -0.26 0.00 -0.53 0.00 0.00 54.79 54.68 3msp n ASP 83 Cb 0.51 -1.50 0.02 0.00 -0.64 0.00 0.00 41.12 39.51 3msp n ASP 83 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3msp n LEU 84 N -0.79 5.27 -0.92 0.64 4.77 -1.26 -4.57 117.00 120.15 3msp n LEU 84 Ca 0.11 -4.76 -0.00 0.00 -0.03 0.00 0.00 56.01 51.34 3msp n LEU 84 Cb 0.45 -0.44 -0.01 0.00 -2.33 0.00 0.00 43.42 41.09 3msp n LEU 84 CO 0.52 2.05 0.21 -3.20 -1.33 0.00 0.00 177.39 175.64 3msp n ASN 85 N -0.70 0.14 -0.00 -1.43 5.15 -1.26 -4.37 115.26 112.78 3msp n ASN 85 Ca 0.46 -1.82 0.01 0.00 -0.60 0.00 0.00 54.58 52.63 3msp n ASN 85 Cb 0.88 -0.10 -0.01 0.00 -0.53 0.00 0.00 39.78 40.02 3msp n ASN 85 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3msp n ASN 86 N 0.16 2.37 -4.63 1.20 5.03 -1.26 -4.99 115.26 113.14 3msp n ASN 86 Ca -0.03 -0.27 -0.43 0.00 0.87 0.00 0.00 54.58 54.72 3msp n ASN 86 Cb 0.81 1.04 -0.02 0.00 -1.02 0.00 0.00 39.78 40.59 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 -1.71 6.60 -0.10 6.41 1.11 -1.26 -4.82 116.67 122.90 3msp s ASP 87 Ca -0.00 1.22 -0.08 0.00 0.18 0.00 0.00 52.55 53.88 3msp s ASP 87 Cb 0.01 -2.54 0.04 0.00 1.07 0.00 0.00 42.92 41.50 3msp s ASP 87 CO 0.08 -1.14 0.26 -0.13 1.18 0.00 0.00 175.17 175.42 3msp s ARG 88 N 4.31 0.27 -0.45 8.23 0.52 -1.26 -1.90 118.95 128.66 3msp s ARG 88 Ca 0.59 0.45 -0.16 0.00 -0.52 0.00 0.00 55.73 56.08 3msp s ARG 88 Cb -0.17 0.03 0.04 0.00 0.52 0.00 0.00 34.95 35.37 3msp s ARG 88 CO 0.25 -0.09 0.41 0.42 0.02 0.00 0.00 175.30 176.31 3msp s ILE 89 N 0.65 5.16 -0.09 1.52 1.01 -0.98 -3.47 121.20 125.00 3msp s ILE 89 Ca -0.04 -0.71 -0.30 0.00 0.00 0.00 0.00 60.65 59.60 3msp s ILE 89 Cb -0.06 -4.08 -0.04 0.00 0.01 0.00 0.00 42.46 38.30 3msp s ILE 89 CO -0.04 -0.50 1.45 -0.89 0.00 0.00 0.00 174.94 174.95 3msp s THR 90 N 1.90 3.89 0.09 2.92 2.01 -0.13 -1.92 115.64 124.40 3msp s THR 90 Ca 0.08 1.12 0.05 0.00 0.31 0.00 0.00 61.69 63.25 3msp s THR 90 Cb -0.21 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.54 3msp s THR 90 CO 0.10 -0.08 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.29 3msp s ILE 91 N 3.47 3.85 0.09 1.82 -1.09 -0.51 -1.43 121.20 127.40 3msp s ILE 91 Ca 0.64 -1.05 -0.10 0.00 -2.23 0.00 0.00 60.65 57.91 3msp s ILE 91 Cb -0.28 -2.82 0.01 0.00 -1.58 0.00 0.00 42.46 37.78 3msp s ILE 91 CO 0.23 0.13 0.23 -1.61 -1.23 0.00 0.00 174.94 172.69 3msp s GLU 92 N -2.25 0.88 -0.30 2.79 2.02 -0.35 -1.28 118.70 120.22 3msp s GLU 92 Ca 0.24 -0.91 -0.18 0.00 0.02 0.00 0.00 54.97 54.15 3msp s GLU 92 Cb -0.12 0.37 0.20 0.00 0.10 0.00 0.00 34.13 34.68 3msp s GLU 92 CO 0.17 -0.29 1.25 1.67 0.02 0.00 0.00 175.26 178.08 3msp s TRP 93 N -3.83 -0.13 -0.02 1.61 -2.14 -0.76 -1.89 118.94 111.77 3msp s TRP 93 Ca 0.04 0.24 0.01 0.00 2.66 0.00 0.00 56.10 59.05 3msp s TRP 93 Cb 0.04 0.08 0.01 0.00 -3.10 0.00 0.00 33.47 30.50 3msp s TRP 93 CO -0.11 -0.07 -0.04 -0.08 -2.66 0.00 0.00 176.95 173.99 3msp s THR 94 N 1.75 0.43 -0.21 0.66 -1.32 -0.96 -2.41 115.64 113.58 3msp s THR 94 Ca -0.03 -0.15 -0.32 0.00 -1.21 0.00 0.00 61.69 59.99 3msp s THR 94 Cb -0.02 -0.43 -0.09 0.00 -1.51 0.00 0.00 72.50 70.46 3msp s THR 94 CO -0.14 0.16 2.13 -0.46 -2.21 0.00 0.00 174.62 174.10 3msp n ASN 95 N 3.52 3.04 -4.71 8.08 0.23 -1.26 -1.68 115.26 122.47 3msp n ASN 95 Ca -0.20 0.47 -0.38 0.00 -0.53 0.00 0.00 54.58 53.94 3msp n ASN 95 Cb 0.54 -1.43 0.05 0.00 -2.08 0.00 0.00 39.78 36.86 3msp n ASN 95 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 3msp n THR 96 N 6.92 4.20 -0.76 5.53 -2.24 -1.25 -4.94 114.28 121.74 3msp n THR 96 Ca 0.31 -0.50 -0.33 0.00 -2.27 0.00 0.00 64.05 61.26 3msp n THR 96 Cb 0.35 -1.49 0.14 0.00 -2.10 0.00 0.00 70.33 67.23 3msp n THR 96 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3msp n PRO 97 N -1.32 -0.86 -1.57 -0.78 -0.02 -1.26 -4.72 135.00 124.48 3msp n PRO 97 Ca 0.13 -0.22 -0.56 0.00 -2.02 0.00 0.00 63.50 60.83 3msp n PRO 97 Cb 0.46 -1.71 -0.08 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 -1.08 2.04 -3.96 2.55 8.00 -1.26 -1.03 116.55 121.81 3msp n ASP 98 Ca 0.03 0.82 -0.27 0.00 0.71 0.00 0.00 54.79 56.09 3msp n ASP 98 Cb 0.58 -1.13 -0.01 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 5.39 -0.28 3.48 0.44 0.00 -1.26 -4.91 105.19 108.05 3msp n GLY 99 Ca 0.35 0.15 -0.30 0.00 0.00 0.00 0.00 46.02 46.22 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 -4.41 -2.59 -1.00 4.61 0.00 -0.20 -4.97 120.51 111.96 3msp n ALA 100 Ca -0.23 -1.00 -0.30 0.00 0.00 0.00 0.00 53.44 51.91 3msp n ALA 100 Cb 0.65 -1.96 0.16 0.00 0.00 0.00 0.00 19.45 18.30 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 -2.43 1.23 -1.27 0.00 0.00 -1.26 -4.92 121.76 113.10 3msp s ALA 101 Ca 0.65 0.07 -0.10 0.00 0.00 0.00 0.00 51.96 52.59 3msp s ALA 101 Cb -0.22 -3.25 0.17 0.00 0.00 0.00 0.00 23.12 19.81 3msp s ALA 101 CO 0.64 -2.65 1.84 1.17 0.00 0.00 0.00 175.76 176.76 3msp n LYS 102 N -4.10 3.61 -3.65 0.00 0.00 -1.26 -4.83 118.16 107.92 3msp n LYS 102 Ca 0.07 -3.56 0.01 0.00 0.00 0.00 0.00 58.31 54.84 3msp n LYS 102 Cb 0.54 -2.93 -0.06 0.00 0.00 0.00 0.00 35.03 32.58 3msp n LYS 102 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 3msp s GLN 103 N 0.47 0.04 0.68 1.64 -2.07 -1.26 -5.16 119.66 114.01 3msp s GLN 103 Ca 0.40 0.07 -0.17 0.00 -1.82 0.00 0.00 55.36 53.84 3msp s GLN 103 Cb 0.09 0.01 -0.03 0.00 -1.09 0.00 0.00 33.01 31.99 3msp s GLN 103 CO 0.00 -0.01 0.74 0.34 -1.32 0.00 0.00 175.29 175.05 3msp n PHE 104 N 2.67 -0.05 -4.07 9.60 7.35 -1.26 -5.02 117.46 126.68 3msp n PHE 104 Ca -0.15 0.39 -0.13 0.00 -0.76 0.00 0.00 57.45 56.79 3msp n PHE 104 Cb 0.56 -2.01 -0.13 0.00 0.35 0.00 0.00 39.48 38.26 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 -2.86 0.41 0.01 -4.13 1.81 -1.26 -5.04 118.95 107.88 3msp s ARG 105 Ca 0.70 -0.45 0.15 0.00 -1.72 0.00 0.00 55.73 54.41 3msp s ARG 105 Cb -0.37 -0.26 -0.18 0.00 -0.45 0.00 0.00 34.95 33.69 3msp s ARG 105 CO 0.53 0.06 0.74 -2.13 -0.68 0.00 0.00 175.30 173.82 3msp n ARG 106 N 2.20 0.63 0.26 3.54 0.63 -1.26 -3.91 116.66 118.75 3msp n ARG 106 Ca -0.18 0.25 0.17 0.00 -0.92 0.00 0.00 57.85 57.17 3msp n ARG 106 Cb 0.57 -1.80 0.76 0.00 0.45 0.00 0.00 32.46 32.43 3msp n ARG 106 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 3msp h GLU 107 N 0.00 0.00 -0.01 -0.14 4.81 -2.02 -2.81 114.58 114.40 3msp h GLU 107 Ca -0.22 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 3msp h GLU 107 Cb 1.79 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.16 3msp h GLU 107 CO 0.06 0.00 0.17 -1.49 -0.73 0.00 0.00 179.01 177.02 3msp h TRP 108 N 0.00 0.00 -1.07 0.92 6.55 -2.00 -1.24 115.95 119.11 3msp h TRP 108 Ca 0.00 0.00 -0.59 0.00 0.95 0.00 0.00 58.89 59.25 3msp h TRP 108 Cb 0.35 0.00 -0.40 0.00 -0.86 0.00 0.00 29.16 28.25 3msp h TRP 108 CO 0.00 0.00 -0.49 1.19 -1.05 0.00 0.00 178.44 178.09 3msp n PHE 109 N -3.03 3.01 -0.04 0.49 3.01 -1.06 -4.60 117.46 115.24 3msp n PHE 109 Ca -0.02 -2.58 -0.04 0.00 1.01 0.00 0.00 57.45 55.83 3msp n PHE 109 Cb 0.24 -0.44 -0.06 0.00 -0.01 0.00 0.00 39.48 39.21 3msp n PHE 109 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3msp n GLN 110 N -0.66 2.66 -4.16 -1.08 -0.00 -0.47 -5.02 117.38 108.66 3msp n GLN 110 Ca 0.45 -0.00 -0.32 0.00 -0.00 0.00 0.00 57.00 57.13 3msp n GLN 110 Cb 0.80 -1.19 -0.08 0.00 -0.00 0.00 0.00 30.24 29.78 3msp n GLN 110 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 3msp s GLY 111 N -3.95 1.96 0.54 2.61 0.00 -1.26 -5.11 107.32 102.11 3msp s GLY 111 Ca -0.04 -0.92 -0.15 0.00 0.00 0.00 0.00 44.72 43.61 3msp s GLY 111 CO 0.29 -0.80 1.00 0.99 0.00 0.00 0.00 173.10 174.58 3msp s ASP 112 N -1.75 6.53 0.00 1.64 1.01 -1.26 -4.70 116.67 118.14 3msp s ASP 112 Ca 0.22 1.54 0.00 0.00 0.71 0.00 0.00 52.55 55.02 3msp s ASP 112 Cb -0.12 -2.50 0.00 0.00 1.01 0.00 0.00 42.92 41.31 3msp s ASP 112 CO 0.13 -0.65 0.00 0.61 0.21 0.00 0.00 175.17 175.47 3msp n GLY 113 N -1.84 1.38 3.41 0.21 0.00 -1.26 -5.02 105.19 102.07 3msp n GLY 113 Ca 0.06 -0.49 -0.44 0.00 0.00 0.00 0.00 46.02 45.15 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 0.00 2.99 0.00 1.61 -1.94 -1.26 -4.92 119.30 115.78 3msp s MET 114 Ca 0.00 -1.21 0.00 0.00 -1.71 0.00 0.00 55.69 52.77 3msp s MET 114 Cb 0.00 -4.09 0.00 0.00 2.01 0.00 0.00 34.83 32.75 3msp s MET 114 CO 0.00 -0.97 0.00 1.55 -0.01 0.00 0.00 175.02 175.59 3msp n VAL 115 N 5.24 0.00 -4.43 -6.03 3.14 -1.26 -4.72 118.33 110.27 3msp n VAL 115 Ca -0.11 0.00 -0.25 0.00 -2.96 0.00 0.00 64.34 61.02 3msp n VAL 115 Cb 0.45 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 33.12 3msp n VAL 115 CO 0.00 0.00 0.00 -0.60 -6.46 0.00 0.00 176.83 169.77 3msp s ARG 116 N 0.00 1.70 -0.29 1.45 6.06 -1.01 -4.96 118.95 121.90 3msp s ARG 116 Ca 0.00 -1.63 -0.14 0.00 -2.50 0.00 0.00 55.73 51.46 3msp s ARG 116 Cb 0.00 -1.85 0.12 0.00 0.06 0.00 0.00 34.95 33.28 3msp s ARG 116 CO 0.00 0.36 0.76 -0.98 -2.50 0.00 0.00 175.30 172.94 3msp s ARG 117 N -3.22 0.55 -0.04 5.12 1.70 -1.26 -1.83 118.95 119.96 3msp s ARG 117 Ca 0.27 1.15 0.02 0.00 -0.47 0.00 0.00 55.73 56.70 3msp s ARG 117 Cb -0.06 0.46 0.02 0.00 -0.57 0.00 0.00 34.95 34.79 3msp s ARG 117 CO 0.14 -0.15 -0.06 -1.59 -1.08 0.00 0.00 175.30 172.55 3msp s LYS 118 N 2.20 0.94 -0.24 3.89 -2.85 -0.40 -4.95 119.74 118.33 3msp s LYS 118 Ca -0.07 -0.19 -0.14 0.00 -1.00 0.00 0.00 55.97 54.56 3msp s LYS 118 Cb -0.08 -0.89 -0.04 0.00 -2.06 0.00 0.00 37.83 34.77 3msp s LYS 118 CO -0.18 -0.01 0.34 -0.80 0.10 0.00 0.00 175.35 174.79 3msp s ASN 119 N 0.65 6.29 0.06 0.03 0.02 -1.26 -1.42 114.94 119.30 3msp s ASN 119 Ca -0.10 0.33 -0.28 0.00 -1.02 0.00 0.00 52.86 51.79 3msp s ASN 119 Cb -0.13 -2.20 -0.05 0.00 0.02 0.00 0.00 41.25 38.90 3msp s ASN 119 CO 0.01 -0.10 0.89 -0.76 0.02 0.00 0.00 177.10 177.16 3msp s LEU 120 N 1.63 4.45 0.12 0.60 1.43 -0.81 -4.88 118.68 121.22 3msp s LEU 120 Ca 0.15 1.63 -0.30 0.00 -1.03 0.00 0.00 54.13 54.58 3msp s LEU 120 Cb -0.15 -3.45 -0.06 0.00 0.03 0.00 0.00 46.19 42.55 3msp s LEU 120 CO 0.08 -0.08 0.98 -2.16 0.23 0.00 0.00 176.35 175.40 3msp s PRO 121 N 0.23 4.69 -0.88 1.29 0.04 -1.26 -2.33 135.00 136.78 3msp s PRO 121 Ca 0.45 1.49 -0.04 0.00 0.04 0.00 0.00 61.00 62.94 3msp s PRO 121 Cb -0.22 -3.36 0.22 0.00 0.04 0.00 0.00 34.50 31.18 3msp s PRO 121 CO 0.27 0.20 0.78 0.42 0.04 0.00 0.00 177.00 178.71 3msp s ILE 122 N -0.07 4.66 0.84 0.56 -1.09 -0.80 -2.53 121.20 122.77 3msp s ILE 122 Ca 0.47 -3.52 -0.11 0.00 -2.23 0.00 0.00 60.65 55.27 3msp s ILE 122 Cb -0.24 -3.89 0.10 0.00 -1.58 0.00 0.00 42.46 36.85 3msp s ILE 122 CO 0.31 -1.07 1.10 -1.61 -1.23 0.00 0.00 174.94 172.44 3msp s GLU 123 N -0.99 1.69 -0.30 2.79 2.02 -0.26 -4.67 118.70 118.98 3msp s GLU 123 Ca 0.25 1.07 -0.01 0.00 0.02 0.00 0.00 54.97 56.31 3msp s GLU 123 Cb -0.10 -1.84 0.10 0.00 0.10 0.00 0.00 34.13 32.39 3msp s GLU 123 CO -0.10 -2.01 0.09 0.71 0.02 0.00 0.00 175.26 173.97 3msp s TYR 124 N -2.88 1.84 -1.26 1.61 1.51 -1.26 -0.86 117.35 116.05 3msp s TYR 124 Ca 0.63 -1.78 -0.19 0.00 -1.01 0.00 0.00 57.07 54.72 3msp s TYR 124 Cb -0.18 -1.76 0.07 0.00 -0.11 0.00 0.00 41.96 39.97 3msp s TYR 124 CO 0.57 -0.87 1.69 1.21 -1.11 0.00 0.00 175.55 177.04 3msp s ASN 125 N 1.57 6.79 0.00 2.29 2.47 -0.73 -4.97 114.94 122.36 3msp s ASN 125 Ca 0.09 -2.30 0.01 0.00 0.42 0.00 0.00 52.86 51.08 3msp s ASN 125 Cb -0.17 -2.58 0.08 0.00 -1.45 0.00 0.00 41.25 37.13 3msp s ASN 125 CO -0.23 -1.22 0.57 0.18 -3.72 0.00 0.00 177.10 172.69