#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 0.71 -1.49 0.00 10.64 -1.26 -5.09 117.38 120.90 3msp n GLN 2 Ca 0.00 -3.18 -0.37 0.00 -1.83 0.00 0.00 57.00 51.61 3msp n GLN 2 Cb 0.00 0.24 0.06 0.00 -0.86 0.00 0.00 30.24 29.68 3msp n GLN 2 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 3msp n SER 3 N -1.93 -0.06 -3.53 2.61 3.41 -1.26 -5.01 113.62 107.84 3msp n SER 3 Ca 0.01 0.73 -0.23 0.00 -0.26 0.00 0.00 58.87 59.12 3msp n SER 3 Cb 0.59 -1.31 -0.14 0.00 -0.26 0.00 0.00 64.21 63.08 3msp n SER 3 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3msp s VAL 4 N -1.68 -0.21 0.99 -3.33 -7.23 -1.26 -5.15 120.40 102.53 3msp s VAL 4 Ca 0.72 -0.27 -0.12 0.00 -1.81 0.00 0.00 61.98 60.51 3msp s VAL 4 Cb -0.40 -0.71 0.19 0.00 0.56 0.00 0.00 36.38 36.01 3msp s VAL 4 CO 0.51 -0.34 1.08 -2.16 -0.31 0.00 0.00 175.10 173.88 3msp s PRO 5 N 2.23 0.46 -0.70 4.82 0.04 -1.26 -4.89 135.00 135.70 3msp s PRO 5 Ca 0.06 0.88 -0.26 0.00 0.04 0.00 0.00 61.00 61.72 3msp s PRO 5 Cb -0.16 -1.71 -0.03 0.00 0.04 0.00 0.00 34.50 32.64 3msp s PRO 5 CO -0.17 -2.80 1.87 -1.25 0.04 0.00 0.00 177.00 174.69 3msp s PRO 6 N -4.76 2.63 0.13 0.56 0.04 -1.26 -4.79 135.00 127.54 3msp s PRO 6 Ca 0.66 0.31 -0.35 0.00 0.04 0.00 0.00 61.00 61.66 3msp s PRO 6 Cb -0.21 -4.59 -0.16 0.00 0.04 0.00 0.00 34.50 29.59 3msp s PRO 6 CO 0.59 -2.90 1.33 0.41 0.04 0.00 0.00 177.00 176.47 3msp n GLY 7 N 6.04 0.46 3.56 0.56 0.00 -1.26 -4.78 105.19 109.76 3msp n GLY 7 Ca 0.26 0.64 -0.44 0.00 0.00 0.00 0.00 46.02 46.48 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 2.48 2.89 -4.68 1.61 9.92 -1.26 -4.37 116.55 123.14 3msp n ASP 8 Ca 0.17 0.18 -0.42 0.00 -0.53 0.00 0.00 54.79 54.18 3msp n ASP 8 Cb 0.22 -1.49 -0.03 0.00 -0.64 0.00 0.00 41.12 39.19 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 8.49 3.57 0.50 0.53 -4.36 -1.26 -4.08 121.20 124.59 3msp s ILE 9 Ca 1.03 0.89 -0.23 0.00 -0.26 0.00 0.00 60.65 62.08 3msp s ILE 9 Cb -0.45 -3.57 -0.06 0.00 1.25 0.00 0.00 42.46 39.63 3msp s ILE 9 CO 0.38 -0.03 1.33 0.20 0.24 0.00 0.00 174.94 177.06 3msp s ASN 10 N 2.39 5.64 -0.01 4.36 0.01 -0.42 -4.80 114.94 122.11 3msp s ASN 10 Ca 0.68 2.70 -0.01 0.00 -0.71 0.00 0.00 52.86 55.53 3msp s ASN 10 Cb -0.33 -2.63 0.01 0.00 0.41 0.00 0.00 41.25 38.71 3msp s ASN 10 CO 0.28 -1.32 0.03 0.42 -1.51 0.00 0.00 177.10 175.00 3msp s THR 11 N -1.32 -0.02 -0.23 1.60 -4.23 -1.26 -2.14 115.64 108.04 3msp s THR 11 Ca 0.67 0.08 -0.04 0.00 -1.18 0.00 0.00 61.69 61.22 3msp s THR 11 Cb -0.39 -0.06 0.08 0.00 1.34 0.00 0.00 72.50 73.47 3msp s THR 11 CO 0.47 0.03 0.13 -1.10 -0.54 0.00 0.00 174.62 173.61 3msp s GLN 12 N 0.42 0.14 0.95 3.99 -0.21 -0.61 -2.09 119.66 122.25 3msp s GLN 12 Ca -0.03 -0.23 -0.10 0.00 0.02 0.00 0.00 55.36 55.01 3msp s GLN 12 Cb -0.05 -1.45 0.17 0.00 1.00 0.00 0.00 33.01 32.68 3msp s GLN 12 CO -0.01 -0.82 1.13 -1.25 -2.12 0.00 0.00 175.29 172.21 3msp s PRO 13 N 2.15 0.72 0.01 2.91 0.04 -1.26 -2.37 135.00 137.20 3msp s PRO 13 Ca 0.06 1.43 0.17 0.00 0.04 0.00 0.00 61.00 62.70 3msp s PRO 13 Cb -0.16 -1.70 -0.17 0.00 0.04 0.00 0.00 34.50 32.51 3msp s PRO 13 CO -0.21 -2.80 0.68 0.45 0.04 0.00 0.00 177.00 175.16 3msp n SER 14 N -4.34 0.67 -2.62 6.66 2.88 -0.89 -4.76 113.62 111.22 3msp n SER 14 Ca 0.10 0.30 -0.04 0.00 -1.33 0.00 0.00 58.87 57.90 3msp n SER 14 Cb 0.52 0.42 -0.00 0.00 -0.75 0.00 0.00 64.21 64.40 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 -2.82 0.26 0.00 -1.46 7.27 -1.26 -4.92 117.38 114.45 3msp n GLN 15 Ca -0.13 -0.76 0.00 0.00 0.07 0.00 0.00 57.00 56.18 3msp n GLN 15 Cb 0.87 -0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.52 3msp n GLN 15 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 3msp n LYS 16 N -0.51 0.00 -3.91 3.69 5.02 -1.26 -4.40 118.16 116.79 3msp n LYS 16 Ca -0.25 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 55.77 3msp n LYS 16 Cb 0.66 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 35.50 3msp n LYS 16 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 3msp s ILE 17 N 0.00 1.01 -0.63 -0.18 2.07 -1.06 -4.67 121.20 117.74 3msp s ILE 17 Ca 0.00 -0.28 -0.06 0.00 -1.41 0.00 0.00 60.65 58.90 3msp s ILE 17 Cb 0.00 -1.03 0.16 0.00 0.13 0.00 0.00 42.46 41.72 3msp s ILE 17 CO 0.00 0.37 0.47 -0.69 -1.91 0.00 0.00 174.94 173.18 3msp s VAL 18 N 1.71 4.12 -0.74 4.00 1.01 -1.26 -0.71 120.40 128.53 3msp s VAL 18 Ca 0.05 -2.63 -0.25 0.00 0.00 0.00 0.00 61.98 59.15 3msp s VAL 18 Cb -0.13 -3.67 -0.16 0.00 0.00 0.00 0.00 36.38 32.43 3msp s VAL 18 CO -0.08 -0.88 2.45 0.49 0.00 0.00 0.00 175.10 177.08 3msp n PHE 19 N 3.87 0.98 -2.13 5.22 3.72 -0.25 -4.60 117.46 124.27 3msp n PHE 19 Ca 0.06 0.13 -0.40 0.00 -0.05 0.00 0.00 57.45 57.19 3msp n PHE 19 Cb 0.40 -2.30 -0.02 0.00 -0.94 0.00 0.00 39.48 36.63 3msp n PHE 19 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 3msp s ASN 20 N 9.61 6.60 1.09 4.37 0.01 -1.26 -2.10 114.94 133.26 3msp s ASN 20 Ca 1.10 2.62 -0.21 0.00 -0.71 0.00 0.00 52.86 55.67 3msp s ASN 20 Cb -0.50 -2.64 0.03 0.00 0.41 0.00 0.00 41.25 38.55 3msp s ASN 20 CO 0.31 -0.65 -0.36 0.00 -1.51 0.00 0.00 177.10 174.89 3msp n ALA 21 N 0.49 -4.54 -2.12 0.60 0.00 0.34 -4.86 120.51 110.42 3msp n ALA 21 Ca 0.02 -1.30 -0.23 0.00 0.00 0.00 0.00 53.44 51.93 3msp n ALA 21 Cb 0.43 -1.35 0.03 0.00 0.00 0.00 0.00 19.45 18.56 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 -3.09 2.77 -0.36 0.00 0.04 -1.26 -5.07 135.00 128.03 3msp s PRO 22 Ca 0.51 -0.47 0.07 0.00 0.04 0.00 0.00 61.00 61.14 3msp s PRO 22 Cb -0.07 -2.44 0.55 0.00 0.04 0.00 0.00 34.50 32.58 3msp s PRO 22 CO 0.66 -0.61 1.62 0.66 0.04 0.00 0.00 177.00 179.37 3msp n TYR 23 N -2.35 1.86 0.70 0.56 4.01 -1.26 -4.49 117.16 116.19 3msp n TYR 23 Ca 0.05 -1.80 0.12 0.00 -0.16 0.00 0.00 57.90 56.10 3msp n TYR 23 Cb 0.59 -0.68 0.24 0.00 -0.31 0.00 0.00 39.34 39.18 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 -1.10 2.92 -3.54 7.72 -0.08 -1.26 -2.65 116.55 118.56 3msp n ASP 24 Ca 0.43 -1.92 -0.14 0.00 -1.51 0.00 0.00 54.79 51.66 3msp n ASP 24 Cb 1.19 -0.16 -0.05 0.00 2.34 0.00 0.00 41.12 44.44 3msp n ASP 24 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3msp s ASP 25 N -1.64 -0.51 -0.35 1.67 2.15 -1.26 -4.91 116.67 111.82 3msp s ASP 25 Ca 0.35 0.48 -0.33 0.00 0.43 0.00 0.00 52.55 53.48 3msp s ASP 25 Cb 0.21 0.43 -0.10 0.00 -0.30 0.00 0.00 42.92 43.16 3msp s ASP 25 CO 0.30 -0.52 2.23 0.29 -0.17 0.00 0.00 175.17 177.30 3msp n LYS 26 N 0.65 1.19 -3.57 4.34 5.02 -1.26 -4.58 118.16 119.95 3msp n LYS 26 Ca -0.14 0.30 -0.41 0.00 -2.02 0.00 0.00 58.31 56.04 3msp n LYS 26 Cb 0.58 -2.62 -0.11 0.00 -0.02 0.00 0.00 35.03 32.87 3msp n LYS 26 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3msp s HIS 27 N 7.83 3.24 -0.42 2.13 2.46 -1.22 -4.85 115.29 124.46 3msp s HIS 27 Ca 1.08 -0.86 -0.19 0.00 0.47 0.00 0.00 55.06 55.56 3msp s HIS 27 Cb -0.74 -2.47 0.02 0.00 -0.13 0.00 0.00 32.58 29.26 3msp s HIS 27 CO 0.45 -0.62 0.57 0.99 -2.47 0.00 0.00 174.74 173.66 3msp s THR 28 N 1.58 4.93 -0.22 0.89 2.01 -1.26 -2.45 115.64 121.12 3msp s THR 28 Ca 0.03 0.03 -0.21 0.00 0.31 0.00 0.00 61.69 61.85 3msp s THR 28 Cb -0.19 -4.12 -0.02 0.00 0.01 0.00 0.00 72.50 68.18 3msp s THR 28 CO 0.07 -0.49 0.65 -0.31 -0.69 0.00 0.00 174.62 173.85 3msp s TYR 29 N 2.57 3.33 0.06 4.92 1.51 -1.03 -4.79 117.35 123.91 3msp s TYR 29 Ca 0.19 0.90 -0.30 0.00 -1.01 0.00 0.00 57.07 56.85 3msp s TYR 29 Cb -0.15 -2.84 -0.05 0.00 -0.11 0.00 0.00 41.96 38.82 3msp s TYR 29 CO 0.17 -0.25 1.05 -1.01 -1.11 0.00 0.00 175.55 174.39 3msp s HIS 30 N 2.22 3.62 0.14 2.71 3.76 -1.26 -2.31 115.29 124.16 3msp s HIS 30 Ca 0.28 1.60 0.08 0.00 -0.15 0.00 0.00 55.06 56.87 3msp s HIS 30 Cb -0.16 -3.21 -0.04 0.00 1.11 0.00 0.00 32.58 30.28 3msp s HIS 30 CO 0.09 -0.39 -0.11 0.42 -0.85 0.00 0.00 174.74 173.91 3msp s ILE 31 N 0.71 3.24 -0.20 0.60 1.01 -0.82 -4.92 121.20 120.82 3msp s ILE 31 Ca 0.53 -1.46 -0.03 0.00 0.00 0.00 0.00 60.65 59.69 3msp s ILE 31 Cb -0.25 -2.55 -0.01 0.00 0.01 0.00 0.00 42.46 39.67 3msp s ILE 31 CO 0.29 0.01 -0.07 -0.54 0.00 0.00 0.00 174.94 174.64 3msp s LYS 32 N -2.47 3.35 0.10 2.79 3.01 -1.00 -2.02 119.74 123.49 3msp s LYS 32 Ca 0.22 -0.65 0.08 0.00 -1.01 0.00 0.00 55.97 54.62 3msp s LYS 32 Cb -0.10 -2.91 -0.03 0.00 -1.01 0.00 0.00 37.83 33.78 3msp s LYS 32 CO 0.14 -0.13 -0.20 0.42 0.51 0.00 0.00 175.35 176.09 3msp s ILE 33 N 1.26 1.68 -0.06 2.17 1.01 -1.03 -1.58 121.20 124.65 3msp s ILE 33 Ca 0.03 -1.54 -0.12 0.00 0.00 0.00 0.00 60.65 59.01 3msp s ILE 33 Cb -0.14 -1.54 0.02 0.00 0.01 0.00 0.00 42.46 40.82 3msp s ILE 33 CO -0.03 -0.08 0.30 -0.89 0.00 0.00 0.00 174.94 174.24 3msp s THR 34 N -1.20 0.03 -0.51 2.92 2.01 -0.91 -2.02 115.64 115.96 3msp s THR 34 Ca 0.06 -0.27 -0.22 0.00 0.31 0.00 0.00 61.69 61.56 3msp s THR 34 Cb -0.10 -0.52 0.04 0.00 0.01 0.00 0.00 72.50 71.93 3msp s THR 34 CO 0.04 -0.15 0.81 0.21 -0.69 0.00 0.00 174.62 174.84 3msp s ASN 35 N -0.64 6.32 -0.15 3.53 3.84 -0.98 -1.30 114.94 125.57 3msp s ASN 35 Ca -0.07 -0.46 0.08 0.00 0.21 0.00 0.00 52.86 52.61 3msp s ASN 35 Cb -0.04 -2.38 0.47 0.00 -0.55 0.00 0.00 41.25 38.75 3msp s ASN 35 CO 0.02 -1.06 1.25 0.00 -2.79 0.00 0.00 177.10 174.52 3msp n ALA 36 N 6.92 3.38 -3.27 1.71 0.00 -1.26 -0.88 120.51 127.10 3msp n ALA 36 Ca -0.01 -1.15 -0.02 0.00 0.00 0.00 0.00 53.44 52.26 3msp n ALA 36 Cb 0.47 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.84 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 0.31 2.50 0.09 0.00 0.00 -1.26 -4.56 105.19 102.26 3msp n GLY 37 Ca 0.17 -2.16 -0.07 0.00 0.00 0.00 0.00 46.02 43.97 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 4.44 -1.02 3.69 -0.02 0.00 -1.26 -4.17 105.19 106.85 3msp n GLY 38 Ca 0.01 -0.25 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.65 2.12 1.13 1.61 0.52 -1.26 -4.58 118.95 115.85 3msp s ARG 39 Ca -0.08 -2.34 -0.13 0.00 -0.52 0.00 0.00 55.73 52.66 3msp s ARG 39 Cb 0.07 -1.28 0.26 0.00 0.52 0.00 0.00 34.95 34.53 3msp s ARG 39 CO 0.83 -0.39 1.05 -0.98 0.02 0.00 0.00 175.30 175.83 3msp s ARG 40 N -3.83 -0.64 -0.18 3.54 1.70 -1.26 -4.28 118.95 114.00 3msp s ARG 40 Ca 0.11 0.61 -0.14 0.00 -0.47 0.00 0.00 55.73 55.84 3msp s ARG 40 Cb 0.02 -1.60 0.05 0.00 -0.57 0.00 0.00 34.95 32.85 3msp s ARG 40 CO 0.06 -3.48 0.46 0.96 -1.08 0.00 0.00 175.30 172.23 3msp s ILE 41 N -2.66 -0.01 -0.40 4.99 -4.36 -0.89 -3.16 121.20 114.71 3msp s ILE 41 Ca 0.67 0.03 -0.19 0.00 -0.26 0.00 0.00 60.65 60.90 3msp s ILE 41 Cb -0.22 -0.66 0.01 0.00 1.25 0.00 0.00 42.46 42.84 3msp s ILE 41 CO 0.62 0.01 0.58 -0.83 0.24 0.00 0.00 174.94 175.56 3msp s GLY 42 N 0.70 1.77 0.23 6.27 0.00 -0.90 -1.86 107.32 113.54 3msp s GLY 42 Ca -0.04 -1.14 0.11 0.00 0.00 0.00 0.00 44.72 43.65 3msp s GLY 42 CO -0.05 1.40 -0.15 0.66 0.00 0.00 0.00 173.10 174.97 3msp s TRP 43 N 2.59 2.46 0.03 1.90 1.48 -0.87 -2.28 118.94 124.25 3msp s TRP 43 Ca 0.20 -0.29 -0.09 0.00 -1.06 0.00 0.00 56.10 54.87 3msp s TRP 43 Cb -0.15 -1.15 0.00 0.00 -1.16 0.00 0.00 33.47 31.02 3msp s TRP 43 CO 0.16 0.59 0.17 0.00 -4.06 0.00 0.00 176.95 173.81 3msp s ALA 44 N -2.04 -0.34 0.13 2.67 0.00 -0.71 -2.11 121.76 119.36 3msp s ALA 44 Ca 0.26 -0.25 0.09 0.00 0.00 0.00 0.00 51.96 52.07 3msp s ALA 44 Cb -0.07 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 3msp s ALA 44 CO 0.15 -0.31 -0.15 0.42 0.00 0.00 0.00 175.76 175.86 3msp s ILE 45 N -2.21 2.99 -0.12 0.00 -1.09 -0.27 -2.60 121.20 117.90 3msp s ILE 45 Ca -0.08 -1.53 -0.06 0.00 -2.23 0.00 0.00 60.65 56.75 3msp s ILE 45 Cb -0.03 -2.41 0.05 0.00 -1.58 0.00 0.00 42.46 38.49 3msp s ILE 45 CO -0.02 0.04 0.28 -0.54 -1.23 0.00 0.00 174.94 173.47 3msp s LYS 46 N -2.35 0.25 0.20 2.79 1.02 -0.69 -4.95 119.74 116.01 3msp s LYS 46 Ca 0.20 0.57 0.11 0.00 0.02 0.00 0.00 55.97 56.87 3msp s LYS 46 Cb -0.10 -0.09 -0.04 0.00 -0.52 0.00 0.00 37.83 37.07 3msp s LYS 46 CO 0.12 -0.16 -0.23 0.95 -0.92 0.00 0.00 175.35 175.11 3msp s THR 47 N 1.23 2.32 0.53 2.17 -4.23 -1.26 -0.53 115.64 115.86 3msp s THR 47 Ca -0.09 -2.05 0.29 0.00 -1.18 0.00 0.00 61.69 58.66 3msp s THR 47 Cb -0.10 -2.11 0.46 0.00 1.34 0.00 0.00 72.50 72.09 3msp s THR 47 CO -0.09 -0.15 1.91 0.71 -0.54 0.00 0.00 174.62 176.46 3msp h THR 48 N 3.14 0.60 -3.25 3.99 1.35 -1.90 -3.37 112.91 113.48 3msp h THR 48 Ca -0.46 -0.01 -0.40 0.00 -0.55 0.00 0.00 66.41 64.99 3msp h THR 48 Cb 1.21 0.58 -0.39 0.00 -1.73 0.00 0.00 68.15 67.82 3msp h THR 48 CO 0.49 0.00 -0.75 0.20 -0.25 0.00 0.00 175.52 175.22 3msp s ASN 49 N -5.78 1.50 -0.09 5.36 0.01 -1.26 -5.01 114.94 109.67 3msp s ASN 49 Ca -0.05 -0.11 0.09 0.00 -0.71 0.00 0.00 52.86 52.08 3msp s ASN 49 Cb 0.21 -0.22 0.42 0.00 0.41 0.00 0.00 41.25 42.06 3msp s ASN 49 CO 0.76 -0.26 1.21 0.23 -1.51 0.00 0.00 177.10 177.53 3msp n MET 50 N 5.26 2.77 -0.08 -0.60 2.81 -1.26 -3.43 117.12 122.59 3msp n MET 50 Ca -0.05 -1.62 -0.17 0.00 -1.81 0.00 0.00 57.70 54.05 3msp n MET 50 Cb 0.50 -1.74 -0.06 0.00 -0.71 0.00 0.00 33.22 31.21 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 0.43 0.33 -0.04 0.03 5.12 -1.26 -4.77 116.66 116.50 3msp n ARG 51 Ca 0.15 0.14 -0.13 0.00 -1.93 0.00 0.00 57.85 56.08 3msp n ARG 51 Cb 0.64 -1.07 -0.11 0.00 -1.16 0.00 0.00 32.46 30.76 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 -0.54 -0.01 -6.52 5.56 2.47 -1.97 -3.46 114.38 109.91 3msp h ARG 52 Ca -0.40 0.00 -0.52 0.00 -1.26 0.00 0.00 59.98 57.80 3msp h ARG 52 Cb 1.36 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.65 3msp h ARG 52 CO -0.23 0.77 -0.02 -0.51 0.56 0.00 0.00 179.97 180.54 3msp s LEU 53 N -8.60 4.19 -0.22 3.04 1.43 -1.22 -3.11 118.68 114.19 3msp s LEU 53 Ca -0.17 1.12 -0.03 0.00 -1.03 0.00 0.00 54.13 54.02 3msp s LEU 53 Cb -0.01 -3.72 0.07 0.00 0.03 0.00 0.00 46.19 42.56 3msp s LEU 53 CO 0.66 -0.07 0.07 -0.94 0.23 0.00 0.00 176.35 176.30 3msp s SER 54 N -2.13 2.98 -0.27 2.29 1.04 -0.93 -4.61 113.70 112.08 3msp s SER 54 Ca 0.47 -0.93 -0.08 0.00 0.48 0.00 0.00 55.95 55.89 3msp s SER 54 Cb -0.12 -0.50 -0.02 0.00 0.10 0.00 0.00 66.02 65.48 3msp s SER 54 CO 0.19 -0.35 0.09 0.68 0.98 0.00 0.00 173.24 174.83 3msp s VAL 55 N 1.94 4.35 -0.04 5.02 -7.23 -1.25 -2.06 120.40 121.14 3msp s VAL 55 Ca 0.03 -0.27 -0.02 0.00 -1.81 0.00 0.00 61.98 59.90 3msp s VAL 55 Cb -0.17 -3.10 0.02 0.00 0.56 0.00 0.00 36.38 33.69 3msp s VAL 55 CO -0.15 0.25 0.09 -1.81 -0.31 0.00 0.00 175.10 173.17 3msp s ASP 56 N 1.61 -0.07 0.12 4.85 1.01 -0.92 -3.00 116.67 120.27 3msp s ASP 56 Ca 0.06 0.17 -0.30 0.00 0.71 0.00 0.00 52.55 53.19 3msp s ASP 56 Cb -0.16 0.13 -0.07 0.00 1.01 0.00 0.00 42.92 43.84 3msp s ASP 56 CO 0.04 -0.07 1.18 -2.16 0.21 0.00 0.00 175.17 174.37 3msp s PRO 57 N 0.43 4.48 0.11 8.23 0.04 -1.26 -1.81 135.00 145.22 3msp s PRO 57 Ca -0.03 1.80 -0.17 0.00 0.04 0.00 0.00 61.00 62.63 3msp s PRO 57 Cb -0.05 -3.30 -0.04 0.00 0.04 0.00 0.00 34.50 31.15 3msp s PRO 57 CO -0.02 -0.14 1.61 -1.00 0.04 0.00 0.00 177.00 177.50 3msp h PRO 58 N 5.97 0.51 -4.92 0.56 0.13 -1.93 -3.45 132.00 128.87 3msp h PRO 58 Ca -0.43 -0.12 -0.35 0.00 -0.87 0.00 0.00 66.00 64.23 3msp h PRO 58 Cb 1.21 -0.07 -0.22 0.00 0.13 0.00 0.00 31.00 32.05 3msp h PRO 58 CO 0.77 0.57 -0.76 0.00 -0.23 0.00 0.00 178.00 178.35 3msp s GLY 60 N -1.48 -0.19 -0.30 0.00 0.00 -0.90 -5.02 107.32 99.44 3msp s GLY 60 Ca -0.05 0.20 -0.00 0.00 0.00 0.00 0.00 44.72 44.87 3msp s GLY 60 CO 0.01 2.61 -0.01 0.14 0.00 0.00 0.00 173.10 175.85 3msp s VAL 61 N -2.29 2.77 0.59 1.40 1.01 -1.26 -2.05 120.40 120.56 3msp s VAL 61 Ca 0.21 -1.56 -0.12 0.00 0.00 0.00 0.00 61.98 60.51 3msp s VAL 61 Cb 0.01 -2.65 -0.05 0.00 0.00 0.00 0.00 36.38 33.69 3msp s VAL 61 CO -0.00 -0.16 1.01 -0.76 0.00 0.00 0.00 175.10 175.18 3msp s LEU 62 N 1.18 3.33 0.42 3.92 1.02 -0.78 -4.84 118.68 122.94 3msp s LEU 62 Ca -0.04 1.43 0.08 0.00 0.02 0.00 0.00 54.13 55.62 3msp s LEU 62 Cb -0.20 -4.46 -0.02 0.00 0.02 0.00 0.00 46.19 41.53 3msp s LEU 62 CO -0.03 -0.80 0.37 -1.81 0.02 0.00 0.00 176.35 174.10 3msp s ASP 63 N -3.94 5.01 -0.23 2.29 1.11 -1.26 -2.09 116.67 117.55 3msp s ASP 63 Ca 0.56 -0.77 -0.29 0.00 0.18 0.00 0.00 52.55 52.22 3msp s ASP 63 Cb -0.11 -0.55 -0.06 0.00 1.07 0.00 0.00 42.92 43.27 3msp s ASP 63 CO 0.49 -0.65 2.21 -2.65 1.18 0.00 0.00 175.17 175.74 3msp n PRO 64 N -1.53 1.87 -3.08 8.23 -0.02 -1.26 -1.58 135.00 137.63 3msp n PRO 64 Ca 0.03 0.52 -0.19 0.00 -2.02 0.00 0.00 63.50 61.85 3msp n PRO 64 Cb 0.62 -3.12 0.04 0.00 -0.02 0.00 0.00 33.50 31.03 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 8.61 -4.99 -3.91 -0.52 4.81 -0.06 -5.00 118.16 117.10 3msp n LYS 65 Ca 0.31 0.72 -0.36 0.00 -0.87 0.00 0.00 58.31 58.12 3msp n LYS 65 Cb 0.41 -5.28 -0.06 0.00 0.02 0.00 0.00 35.03 30.13 3msp n LYS 65 CO 0.00 0.00 0.00 -2.00 1.17 0.00 0.00 177.40 176.57 3msp s GLU 66 N -5.71 3.42 -0.05 1.64 2.12 -0.62 -4.83 118.70 114.67 3msp s GLU 66 Ca 0.34 -0.21 -0.03 0.00 0.36 0.00 0.00 54.97 55.42 3msp s GLU 66 Cb -0.15 -3.14 -0.04 0.00 0.26 0.00 0.00 34.13 31.06 3msp s GLU 66 CO 0.42 0.74 0.11 0.15 -0.54 0.00 0.00 175.26 176.13 3msp s LYS 67 N -1.36 3.24 0.01 4.30 1.02 -1.26 -2.31 119.74 123.37 3msp s LYS 67 Ca 0.19 -0.34 -0.03 0.00 0.02 0.00 0.00 55.97 55.82 3msp s LYS 67 Cb -0.12 -3.00 -0.01 0.00 -0.52 0.00 0.00 37.83 34.18 3msp s LYS 67 CO 0.09 0.70 0.04 0.54 -0.92 0.00 0.00 175.35 175.80 3msp s VAL 68 N -1.13 0.09 -0.03 3.17 0.11 -0.86 -5.03 120.40 116.72 3msp s VAL 68 Ca 0.20 -0.70 -0.01 0.00 -2.93 0.00 0.00 61.98 58.53 3msp s VAL 68 Cb -0.12 -0.29 -0.04 0.00 -1.53 0.00 0.00 36.38 34.40 3msp s VAL 68 CO 0.10 -0.39 0.07 -0.76 -3.33 0.00 0.00 175.10 170.80 3msp s LEU 69 N -1.22 3.88 0.22 2.54 2.01 -1.26 -2.48 118.68 122.37 3msp s LEU 69 Ca -0.13 0.18 0.11 0.00 0.01 0.00 0.00 54.13 54.30 3msp s LEU 69 Cb -0.08 -2.16 -0.05 0.00 0.01 0.00 0.00 46.19 43.92 3msp s LEU 69 CO -0.00 0.31 -0.22 -0.32 1.01 0.00 0.00 176.35 177.12 3msp s MET 70 N -1.50 1.56 -0.17 1.70 1.75 -0.86 -4.57 119.30 117.22 3msp s MET 70 Ca 0.20 -1.61 -0.01 0.00 -1.25 0.00 0.00 55.69 53.02 3msp s MET 70 Cb -0.12 -1.79 0.05 0.00 2.84 0.00 0.00 34.83 35.81 3msp s MET 70 CO 0.11 0.37 -0.02 0.00 -0.65 0.00 0.00 175.02 174.82 3msp s ALA 71 N -2.00 1.33 -0.65 4.11 0.00 -0.75 -1.94 121.76 121.86 3msp s ALA 71 Ca 0.24 -0.77 -0.01 0.00 0.00 0.00 0.00 51.96 51.42 3msp s ALA 71 Cb -0.07 -1.13 0.16 0.00 0.00 0.00 0.00 23.12 22.09 3msp s ALA 71 CO 0.11 -0.88 0.46 0.54 0.00 0.00 0.00 175.76 175.99 3msp s VAL 72 N 1.70 3.54 0.37 0.00 0.11 -0.98 -2.17 120.40 122.97 3msp s VAL 72 Ca 0.00 -3.26 -0.24 0.00 -2.93 0.00 0.00 61.98 55.55 3msp s VAL 72 Cb -0.16 -3.31 -0.10 0.00 -1.53 0.00 0.00 36.38 31.28 3msp s VAL 72 CO -0.07 -0.90 0.97 -0.55 -3.33 0.00 0.00 175.10 171.21 3msp s SER 73 N 0.21 7.08 -0.24 3.54 0.15 -0.87 -2.46 113.70 121.12 3msp s SER 73 Ca 0.19 1.84 -0.01 0.00 0.70 0.00 0.00 55.95 58.67 3msp s SER 73 Cb -0.18 -2.57 0.07 0.00 -1.71 0.00 0.00 66.02 61.63 3msp s SER 73 CO -0.05 -0.25 0.01 0.00 1.20 0.00 0.00 173.24 174.15 3msp n ASP 75 N 4.81 0.46 -4.48 0.00 8.00 -1.18 -3.45 116.55 120.70 3msp n ASP 75 Ca -0.08 0.92 -0.31 0.00 0.71 0.00 0.00 54.79 56.03 3msp n ASP 75 Cb 0.45 -1.29 0.18 0.00 -0.02 0.00 0.00 41.12 40.44 3msp n ASP 75 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3msp n THR 76 N -0.98 0.00 -3.97 -3.53 -2.24 -1.26 -4.92 114.28 97.38 3msp n THR 76 Ca 0.11 -0.22 0.01 0.00 -2.27 0.00 0.00 64.05 61.68 3msp n THR 76 Cb 0.42 -0.84 0.00 0.00 -2.10 0.00 0.00 70.33 67.82 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 -4.34 -0.10 -3.95 4.78 -1.74 -1.08 -5.04 117.46 105.99 3msp n PHE 77 Ca 0.06 -0.20 -0.34 0.00 -0.56 0.00 0.00 57.45 56.41 3msp n PHE 77 Cb 0.55 0.09 -0.14 0.00 1.52 0.00 0.00 39.48 41.50 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 -2.00 4.78 -0.12 5.98 0.01 -1.26 -4.83 114.94 117.51 3msp s ASN 78 Ca 0.11 -1.34 0.12 0.00 -0.71 0.00 0.00 52.86 51.03 3msp s ASN 78 Cb -0.00 -1.67 0.54 0.00 0.41 0.00 0.00 41.25 40.53 3msp s ASN 78 CO -0.01 -0.25 1.38 0.00 -1.51 0.00 0.00 177.10 176.71 3msp n ALA 79 N 4.56 3.16 0.10 0.60 0.00 -1.26 -4.02 120.51 123.65 3msp n ALA 79 Ca -0.13 -1.22 0.02 0.00 0.00 0.00 0.00 53.44 52.12 3msp n ALA 79 Cb 0.43 -1.05 -0.02 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 h ALA 80 N 3.58 0.66 -0.45 0.00 0.00 -2.03 -3.39 119.26 117.63 3msp h ALA 80 Ca 0.00 -0.57 -0.26 0.00 0.00 0.00 0.00 54.91 54.08 3msp h ALA 80 Cb 1.29 0.06 -0.31 0.00 0.00 0.00 0.00 17.79 18.83 3msp h ALA 80 CO 0.24 0.69 -0.86 0.25 0.00 0.00 0.00 179.25 179.58 3msp n THR 81 N -3.06 0.74 -3.75 0.00 -2.24 -1.26 -5.09 114.28 99.62 3msp n THR 81 Ca -0.03 -2.37 -0.15 0.00 -2.27 0.00 0.00 64.05 59.24 3msp n THR 81 Cb 0.76 1.01 -0.15 0.00 -2.10 0.00 0.00 70.33 69.84 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 -2.21 0.01 0.26 -0.78 2.02 -1.26 -5.12 118.70 111.63 3msp s GLU 82 Ca 0.23 0.28 -0.30 0.00 0.02 0.00 0.00 54.97 55.19 3msp s GLU 82 Cb 0.40 -0.23 -0.10 0.00 0.10 0.00 0.00 34.13 34.29 3msp s GLU 82 CO -0.04 -0.18 1.50 0.16 0.02 0.00 0.00 175.26 176.72 3msp s ASP 83 N 1.19 6.56 -0.54 -0.19 -4.77 -1.26 -4.86 116.67 112.79 3msp s ASP 83 Ca -0.08 2.75 0.07 0.00 -3.30 0.00 0.00 52.55 51.99 3msp s ASP 83 Cb -0.12 -2.62 0.25 0.00 -1.09 0.00 0.00 42.92 39.33 3msp s ASP 83 CO -0.04 -0.78 0.67 0.18 0.70 0.00 0.00 175.17 175.90 3msp n LEU 84 N 2.40 2.41 -1.04 2.11 4.77 -1.26 -4.78 117.00 121.60 3msp n LEU 84 Ca 0.08 -5.16 -0.04 0.00 -0.03 0.00 0.00 56.01 50.85 3msp n LEU 84 Cb 0.39 -0.16 -0.05 0.00 -2.33 0.00 0.00 43.42 41.27 3msp n LEU 84 CO 0.62 2.07 0.28 -3.20 -1.33 0.00 0.00 177.39 175.83 3msp n ASN 85 N 1.03 -0.51 0.00 -1.43 5.15 -1.26 -4.79 115.26 113.45 3msp n ASN 85 Ca 0.27 -1.92 0.00 0.00 -0.60 0.00 0.00 54.58 52.33 3msp n ASN 85 Cb 0.46 0.15 0.00 0.00 -0.53 0.00 0.00 39.78 39.85 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 0.10 0.79 -4.60 1.20 5.03 -1.26 -5.03 115.26 111.49 3msp n ASN 86 Ca -0.18 -1.31 -0.39 0.00 0.87 0.00 0.00 54.58 53.56 3msp n ASN 86 Cb 0.77 0.00 -0.09 0.00 -1.02 0.00 0.00 39.78 39.44 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 -0.31 6.24 -0.07 6.41 1.01 -1.26 -4.90 116.67 123.80 3msp s ASP 87 Ca 0.00 0.21 -0.05 0.00 0.71 0.00 0.00 52.55 53.43 3msp s ASP 87 Cb 0.00 -2.21 0.03 0.00 1.01 0.00 0.00 42.92 41.75 3msp s ASP 87 CO 0.00 -0.21 0.17 0.00 0.21 0.00 0.00 175.17 175.34 3msp s ARG 88 N 2.07 0.16 0.37 8.23 1.70 -1.26 -2.13 118.95 128.09 3msp s ARG 88 Ca 0.15 0.30 0.05 0.00 -0.47 0.00 0.00 55.73 55.76 3msp s ARG 88 Cb -0.16 -0.01 -0.01 0.00 -0.57 0.00 0.00 34.95 34.21 3msp s ARG 88 CO 0.10 -0.08 0.52 0.42 -1.08 0.00 0.00 175.30 175.18 3msp s ILE 89 N 0.53 3.95 -0.05 4.99 1.01 -0.93 -3.28 121.20 127.43 3msp s ILE 89 Ca -0.04 -0.90 -0.01 0.00 0.00 0.00 0.00 60.65 59.70 3msp s ILE 89 Cb -0.05 -3.38 0.03 0.00 0.01 0.00 0.00 42.46 39.06 3msp s ILE 89 CO -0.03 -0.17 0.02 -0.89 0.00 0.00 0.00 174.94 173.87 3msp s THR 90 N -2.27 0.15 -0.23 2.92 2.01 0.31 -1.58 115.64 116.94 3msp s THR 90 Ca 0.47 0.22 0.02 0.00 0.31 0.00 0.00 61.69 62.70 3msp s THR 90 Cb -0.10 -0.32 0.05 0.00 0.01 0.00 0.00 72.50 72.14 3msp s THR 90 CO 0.33 0.20 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.71 3msp s ILE 91 N 1.74 1.95 0.19 1.82 1.09 -0.90 -1.70 121.20 125.38 3msp s ILE 91 Ca 0.00 -1.36 0.11 0.00 -1.10 0.00 0.00 60.65 58.30 3msp s ILE 91 Cb -0.13 -2.03 -0.04 0.00 -1.06 0.00 0.00 42.46 39.20 3msp s ILE 91 CO -0.03 0.07 -0.22 -1.83 -0.10 0.00 0.00 174.94 172.83 3msp s GLU 92 N 1.23 1.46 -0.09 2.79 -1.05 -1.07 -2.21 118.70 119.75 3msp s GLU 92 Ca -0.05 -1.51 -0.26 0.00 -0.15 0.00 0.00 54.97 53.00 3msp s GLU 92 Cb -0.18 -1.68 0.06 0.00 -0.44 0.00 0.00 34.13 31.89 3msp s GLU 92 CO -0.07 0.35 0.61 1.67 0.95 0.00 0.00 175.26 178.77 3msp s TRP 93 N -1.86 -0.59 -0.03 4.83 -2.14 -0.83 -1.74 118.94 116.58 3msp s TRP 93 Ca 0.20 1.14 -0.01 0.00 2.66 0.00 0.00 56.10 60.09 3msp s TRP 93 Cb -0.07 0.31 0.02 0.00 -3.10 0.00 0.00 33.47 30.63 3msp s TRP 93 CO 0.09 -0.50 0.06 -0.08 -2.66 0.00 0.00 176.95 173.86 3msp s THR 94 N -0.80 -0.03 -0.01 0.66 -1.32 -0.97 -2.42 115.64 110.75 3msp s THR 94 Ca -0.08 0.12 -0.36 0.00 -1.21 0.00 0.00 61.69 60.16 3msp s THR 94 Cb -0.02 -0.11 -0.14 0.00 -1.51 0.00 0.00 72.50 70.72 3msp s THR 94 CO 0.07 0.05 1.65 -0.46 -2.21 0.00 0.00 174.62 173.72 3msp n ASN 95 N 3.73 2.79 -4.76 8.08 0.23 -1.26 -2.12 115.26 121.94 3msp n ASN 95 Ca -0.21 1.05 -0.35 0.00 -0.53 0.00 0.00 54.58 54.54 3msp n ASN 95 Cb 0.54 -1.31 0.04 0.00 -2.08 0.00 0.00 39.78 36.97 3msp n ASN 95 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 3msp s THR 96 N 2.27 2.81 0.93 5.53 -4.23 -1.19 -4.90 115.64 116.86 3msp s THR 96 Ca 0.88 0.46 -0.12 0.00 -1.18 0.00 0.00 61.69 61.73 3msp s THR 96 Cb -0.81 -3.10 0.15 0.00 1.34 0.00 0.00 72.50 70.08 3msp s THR 96 CO 0.49 -0.15 1.09 -2.16 -0.54 0.00 0.00 174.62 173.35 3msp s PRO 97 N -3.56 0.96 -0.34 3.99 0.04 -1.26 -4.84 135.00 129.99 3msp s PRO 97 Ca 0.74 0.90 -0.40 0.00 0.04 0.00 0.00 61.00 62.28 3msp s PRO 97 Cb -0.27 -1.77 -0.16 0.00 0.04 0.00 0.00 34.50 32.35 3msp s PRO 97 CO 0.35 -2.47 1.84 -0.25 0.04 0.00 0.00 177.00 176.52 3msp n ASP 98 N -4.05 2.08 -3.86 6.66 9.92 -1.26 -0.65 116.55 125.39 3msp n ASP 98 Ca 0.07 0.94 -0.25 0.00 -0.53 0.00 0.00 54.79 55.02 3msp n ASP 98 Cb 0.55 -1.11 0.01 0.00 -0.64 0.00 0.00 41.12 39.93 3msp n ASP 98 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3msp n GLY 99 N 4.89 -0.32 3.39 0.44 0.00 -1.26 -4.91 105.19 107.42 3msp n GLY 99 Ca 0.32 0.15 -0.32 0.00 0.00 0.00 0.00 46.02 46.17 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 -4.40 -3.21 -1.69 4.61 0.00 0.18 -4.98 120.51 111.02 3msp n ALA 100 Ca -0.21 -1.02 -0.30 0.00 0.00 0.00 0.00 53.44 51.90 3msp n ALA 100 Cb 0.64 -1.75 0.07 0.00 0.00 0.00 0.00 19.45 18.41 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 -2.35 2.55 -1.31 0.00 0.00 -1.26 -4.95 121.76 114.44 3msp s ALA 101 Ca 0.60 -0.24 -0.10 0.00 0.00 0.00 0.00 51.96 52.22 3msp s ALA 101 Cb -0.18 -3.08 0.14 0.00 0.00 0.00 0.00 23.12 20.01 3msp s ALA 101 CO 0.66 -1.44 1.97 1.63 0.00 0.00 0.00 175.76 178.57 3msp n LYS 102 N -3.23 3.56 0.00 0.00 5.02 -1.26 -4.77 118.16 117.47 3msp n LYS 102 Ca 0.07 -3.37 0.00 0.00 -2.02 0.00 0.00 58.31 52.99 3msp n LYS 102 Cb 0.56 -2.96 0.00 0.00 -0.02 0.00 0.00 35.03 32.61 3msp n LYS 102 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3msp n GLN 103 N 4.07 0.00 -1.68 1.97 6.02 -1.26 -5.12 117.38 121.38 3msp n GLN 103 Ca 0.43 0.00 -0.54 0.00 -0.01 0.00 0.00 57.00 56.88 3msp n GLN 103 Cb 0.36 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.56 3msp n GLN 103 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3msp n PHE 104 N 0.00 2.05 -4.33 1.08 -0.00 -1.26 -4.96 117.46 110.04 3msp n PHE 104 Ca 0.00 0.40 -0.29 0.00 -0.00 0.00 0.00 57.45 57.56 3msp n PHE 104 Cb 0.00 -2.50 -0.12 0.00 -0.00 0.00 0.00 39.48 36.87 3msp n PHE 104 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.76 177.26 3msp s ARG 105 N 3.04 1.70 0.38 -4.13 3.52 -1.26 -5.03 118.95 117.16 3msp s ARG 105 Ca 0.94 -1.24 0.24 0.00 -0.13 0.00 0.00 55.73 55.53 3msp s ARG 105 Cb -0.94 -2.05 0.39 0.00 -1.56 0.00 0.00 34.95 30.80 3msp s ARG 105 CO 0.58 0.47 1.59 -0.09 -0.81 0.00 0.00 175.30 177.03 3msp h ARG 106 N 3.68 0.00 0.00 5.12 2.43 -2.03 -3.23 114.38 120.35 3msp h ARG 106 Ca -0.50 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.65 3msp h ARG 106 Cb 1.17 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.72 3msp h ARG 106 CO 0.45 0.00 -0.11 1.49 -1.51 0.00 0.00 179.97 180.29 3msp h GLU 107 N 0.00 0.00 0.00 0.20 4.81 -1.95 -2.24 114.58 115.40 3msp h GLU 107 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3msp h GLU 107 Cb 0.95 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.33 3msp h GLU 107 CO 0.00 0.11 0.00 0.91 -0.73 0.00 0.00 179.01 179.30 3msp n TRP 108 N -3.49 0.63 -0.03 0.92 8.01 -1.22 -1.67 117.44 120.59 3msp n TRP 108 Ca -0.01 0.30 0.05 0.00 -1.31 0.00 0.00 57.50 56.52 3msp n TRP 108 Cb 0.25 -0.98 -0.15 0.00 -2.01 0.00 0.00 31.31 28.42 3msp n TRP 108 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.69 177.87 3msp n PHE 109 N -2.12 0.00 -1.46 -5.99 3.01 -0.84 -4.40 117.46 105.65 3msp n PHE 109 Ca -0.00 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.27 3msp n PHE 109 Cb 0.09 -0.56 0.14 0.00 -0.01 0.00 0.00 39.48 39.15 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 -2.30 2.38 0.00 -1.08 1.13 -0.67 -4.95 117.38 111.89 3msp n GLN 110 Ca -0.10 -3.32 0.00 0.00 -1.94 0.00 0.00 57.00 51.64 3msp n GLN 110 Cb 0.65 -2.08 0.00 0.00 0.11 0.00 0.00 30.24 28.93 3msp n GLN 110 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3msp n GLY 111 N -1.03 5.22 3.88 1.08 0.00 -0.97 -5.01 105.19 108.37 3msp n GLY 111 Ca 0.48 -1.59 -0.32 0.00 0.00 0.00 0.00 46.02 44.59 3msp n GLY 111 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3msp s ASP 112 N 1.00 6.58 0.00 1.61 -1.08 -1.26 -4.97 116.67 118.56 3msp s ASP 112 Ca 0.00 0.79 0.00 0.00 -0.52 0.00 0.00 52.55 52.82 3msp s ASP 112 Cb 0.00 -2.17 0.00 0.00 -1.46 0.00 0.00 42.92 39.29 3msp s ASP 112 CO 0.00 0.00 0.00 0.61 0.52 0.00 0.00 175.17 176.30 3msp n GLY 113 N 0.07 -1.49 3.24 2.66 0.00 -1.26 -5.03 105.19 103.38 3msp n GLY 113 Ca -0.01 -2.07 -0.20 0.00 0.00 0.00 0.00 46.02 43.73 3msp n GLY 113 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3msp s MET 114 N 0.00 1.02 -0.07 1.61 0.23 -1.26 -5.12 119.30 115.71 3msp s MET 114 Ca 0.00 -1.17 0.03 0.00 -1.03 0.00 0.00 55.69 53.52 3msp s MET 114 Cb 0.00 -1.04 -0.02 0.00 -1.53 0.00 0.00 34.83 32.24 3msp s MET 114 CO 0.00 0.22 -0.16 0.08 -2.03 0.00 0.00 175.02 173.13 3msp s VAL 115 N -1.69 2.87 0.12 5.16 1.01 -1.26 -4.66 120.40 121.95 3msp s VAL 115 Ca 0.06 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.28 3msp s VAL 115 Cb -0.07 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.13 3msp s VAL 115 CO 0.03 0.57 0.27 -0.60 0.00 0.00 0.00 175.10 175.38 3msp s ARG 116 N -0.30 3.46 -0.27 2.72 6.06 -1.02 -4.98 118.95 124.62 3msp s ARG 116 Ca 0.02 -0.49 -0.23 0.00 -2.50 0.00 0.00 55.73 52.54 3msp s ARG 116 Cb -0.13 -2.97 0.07 0.00 0.06 0.00 0.00 34.95 31.98 3msp s ARG 116 CO 0.03 0.54 0.71 0.50 -2.50 0.00 0.00 175.30 174.57 3msp s ARG 117 N -2.95 0.81 -0.08 5.12 3.52 -1.26 -1.97 118.95 122.13 3msp s ARG 117 Ca 0.35 1.05 -0.05 0.00 -0.13 0.00 0.00 55.73 56.96 3msp s ARG 117 Cb -0.12 0.35 0.04 0.00 -1.56 0.00 0.00 34.95 33.66 3msp s ARG 117 CO 0.28 -0.11 0.20 0.15 -0.81 0.00 0.00 175.30 175.01 3msp s LYS 118 N 0.67 0.17 -0.06 5.12 1.02 -0.94 -5.00 119.74 120.72 3msp s LYS 118 Ca -0.02 0.42 -0.18 0.00 0.02 0.00 0.00 55.97 56.21 3msp s LYS 118 Cb -0.05 -0.09 -0.05 0.00 -0.52 0.00 0.00 37.83 37.12 3msp s LYS 118 CO -0.04 -0.13 0.48 -0.80 -0.92 0.00 0.00 175.35 173.94 3msp s ASN 119 N 0.97 6.79 -0.30 2.83 0.02 -1.26 -2.13 114.94 121.86 3msp s ASN 119 Ca -0.07 0.93 -0.11 0.00 -1.02 0.00 0.00 52.86 52.59 3msp s ASN 119 Cb -0.09 -2.29 -0.03 0.00 0.02 0.00 0.00 41.25 38.86 3msp s ASN 119 CO -0.06 0.11 0.20 -0.76 0.02 0.00 0.00 177.10 176.62 3msp s LEU 120 N -0.03 4.18 0.12 0.60 1.02 -0.62 -4.93 118.68 119.03 3msp s LEU 120 Ca 0.26 -0.23 -0.31 0.00 0.02 0.00 0.00 54.13 53.87 3msp s LEU 120 Cb -0.16 -2.10 -0.09 0.00 0.02 0.00 0.00 46.19 43.86 3msp s LEU 120 CO 0.13 -0.13 1.52 -2.16 0.02 0.00 0.00 176.35 175.72 3msp s PRO 121 N 1.72 4.25 0.17 1.29 0.04 -1.26 -2.20 135.00 139.01 3msp s PRO 121 Ca 0.06 2.24 -0.09 0.00 0.04 0.00 0.00 61.00 63.25 3msp s PRO 121 Cb -0.17 -3.30 -0.07 0.00 0.04 0.00 0.00 34.50 31.01 3msp s PRO 121 CO 0.10 -0.58 0.48 0.42 0.04 0.00 0.00 177.00 177.46 3msp s ILE 122 N 1.51 5.01 0.05 0.56 -1.09 -0.90 -2.56 121.20 123.78 3msp s ILE 122 Ca 0.69 0.40 -0.01 0.00 -2.23 0.00 0.00 60.65 59.49 3msp s ILE 122 Cb -0.40 -3.64 -0.04 0.00 -1.58 0.00 0.00 42.46 36.80 3msp s ILE 122 CO 0.31 0.06 -0.02 -1.61 -1.23 0.00 0.00 174.94 172.44 3msp s GLU 123 N -2.52 0.63 -0.20 2.79 2.02 0.11 -4.83 118.70 116.71 3msp s GLU 123 Ca 0.42 -1.22 -0.02 0.00 0.02 0.00 0.00 54.97 54.17 3msp s GLU 123 Cb -0.12 0.22 0.06 0.00 0.10 0.00 0.00 34.13 34.38 3msp s GLU 123 CO 0.21 -0.12 0.01 0.71 0.02 0.00 0.00 175.26 176.09 3msp s TYR 124 N -3.92 1.38 -0.17 1.61 1.51 -1.26 -1.09 117.35 115.40 3msp s TYR 124 Ca 0.08 -1.06 -0.10 0.00 -1.01 0.00 0.00 57.07 54.98 3msp s TYR 124 Cb 0.08 -1.17 -0.05 0.00 -0.11 0.00 0.00 41.96 40.71 3msp s TYR 124 CO -0.10 -0.64 0.16 1.21 -1.11 0.00 0.00 175.55 175.08 3msp s ASN 125 N 1.74 6.29 0.00 2.29 2.47 -0.89 -4.96 114.94 121.88 3msp s ASN 125 Ca -0.02 0.33 0.20 0.00 0.42 0.00 0.00 52.86 53.80 3msp s ASN 125 Cb -0.17 -2.10 0.16 0.00 -1.45 0.00 0.00 41.25 37.69 3msp s ASN 125 CO -0.07 0.22 1.15 0.18 -3.72 0.00 0.00 177.10 174.85