#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3msp h GLN 2 N 0.00 0.48 0.00 0.00 -0.00 -2.04 -3.45 115.11 110.10 3msp h GLN 2 Ca 0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 58.65 58.50 3msp h GLN 2 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 27.48 27.44 3msp h GLN 2 CO 0.00 0.64 0.00 0.45 0.00 0.00 0.00 178.83 179.92 3msp n SER 3 N -4.17 0.00 -3.28 -0.69 2.88 -1.26 -5.13 113.62 101.97 3msp n SER 3 Ca 0.00 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.49 3msp n SER 3 Cb 0.35 0.01 -0.06 0.00 -0.75 0.00 0.00 64.21 63.77 3msp n SER 3 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3msp s VAL 4 N -0.06 -0.73 1.10 2.46 -7.23 -1.26 -5.17 120.40 109.52 3msp s VAL 4 Ca 0.00 -0.08 -0.14 0.00 -1.81 0.00 0.00 61.98 59.95 3msp s VAL 4 Cb 0.00 -0.89 0.24 0.00 0.56 0.00 0.00 36.38 36.29 3msp s VAL 4 CO 0.00 -0.11 1.07 -2.16 -0.31 0.00 0.00 175.10 173.59 3msp s PRO 5 N 2.64 -0.43 0.27 4.82 0.04 -1.26 -4.96 135.00 136.12 3msp s PRO 5 Ca 0.14 0.48 -0.30 0.00 0.04 0.00 0.00 61.00 61.36 3msp s PRO 5 Cb -0.15 -1.64 -0.10 0.00 0.04 0.00 0.00 34.50 32.65 3msp s PRO 5 CO -0.19 -3.30 1.47 -2.14 0.04 0.00 0.00 177.00 172.87 3msp s PRO 6 N -4.89 4.24 -0.02 0.56 0.02 -1.26 -4.92 135.00 128.74 3msp s PRO 6 Ca 0.67 2.36 -0.30 0.00 0.02 0.00 0.00 61.00 63.75 3msp s PRO 6 Cb -0.19 -3.08 -0.06 0.00 0.02 0.00 0.00 34.50 31.19 3msp s PRO 6 CO 0.59 -0.45 1.54 0.20 -0.33 0.00 0.00 177.00 178.55 3msp s GLY 7 N 0.32 1.66 -0.41 0.52 0.00 -1.26 -4.88 107.32 103.27 3msp s GLY 7 Ca 0.59 0.95 -0.34 0.00 0.00 0.00 0.00 44.72 45.92 3msp s GLY 7 CO 0.45 2.79 2.24 1.22 0.00 0.00 0.00 173.10 179.81 3msp n ASP 8 N 6.15 1.98 -4.79 1.64 8.00 -1.26 -4.60 116.55 123.67 3msp n ASP 8 Ca 0.15 0.32 -0.36 0.00 0.71 0.00 0.00 54.79 55.61 3msp n ASP 8 Cb 0.43 -1.26 -0.06 0.00 -0.02 0.00 0.00 41.12 40.21 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 7.82 4.07 0.10 0.53 -4.36 -1.26 -3.87 121.20 124.23 3msp s ILE 9 Ca 1.11 1.61 -0.08 0.00 -0.26 0.00 0.00 60.65 63.02 3msp s ILE 9 Cb -0.84 -3.84 -0.06 0.00 1.25 0.00 0.00 42.46 38.96 3msp s ILE 9 CO 0.47 0.04 0.40 0.20 0.24 0.00 0.00 174.94 176.29 3msp s ASN 10 N -1.67 6.59 0.06 4.36 0.01 -0.69 -4.94 114.94 118.67 3msp s ASN 10 Ca 0.54 0.73 0.01 0.00 -0.71 0.00 0.00 52.86 53.44 3msp s ASN 10 Cb -0.19 -2.15 -0.03 0.00 0.41 0.00 0.00 41.25 39.29 3msp s ASN 10 CO 0.24 0.13 -0.06 0.42 -1.51 0.00 0.00 177.10 176.32 3msp s THR 11 N -1.49 0.50 -0.27 1.60 -4.23 -1.26 -1.84 115.64 108.65 3msp s THR 11 Ca 0.36 -1.54 -0.00 0.00 -1.18 0.00 0.00 61.69 59.32 3msp s THR 11 Cb -0.13 -1.18 0.16 0.00 1.34 0.00 0.00 72.50 72.69 3msp s THR 11 CO 0.20 -0.71 0.45 -1.10 -0.54 0.00 0.00 174.62 172.92 3msp s GLN 12 N -2.91 0.43 0.95 3.99 -0.21 -0.72 -3.41 119.66 117.77 3msp s GLN 12 Ca 0.01 0.51 -0.11 0.00 0.02 0.00 0.00 55.36 55.80 3msp s GLN 12 Cb -0.01 -0.17 0.16 0.00 1.00 0.00 0.00 33.01 34.00 3msp s GLN 12 CO -0.04 -0.79 1.12 -1.25 -2.12 0.00 0.00 175.29 172.21 3msp s PRO 13 N 2.63 0.75 -0.00 2.91 0.04 -1.26 -2.49 135.00 137.58 3msp s PRO 13 Ca 0.13 1.36 0.05 0.00 0.04 0.00 0.00 61.00 62.58 3msp s PRO 13 Cb -0.14 -1.71 -0.06 0.00 0.04 0.00 0.00 34.50 32.63 3msp s PRO 13 CO -0.22 -2.75 0.20 0.43 0.04 0.00 0.00 177.00 174.71 3msp n SER 14 N -4.30 0.58 -0.05 6.66 7.64 -1.22 -4.81 113.62 118.13 3msp n SER 14 Ca 0.10 -0.56 -0.10 0.00 1.01 0.00 0.00 58.87 59.32 3msp n SER 14 Cb 0.53 1.02 -0.03 0.00 -1.01 0.00 0.00 64.21 64.72 3msp n SER 14 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3msp n GLN 15 N -1.17 0.32 -2.71 1.43 6.02 -1.26 -4.95 117.38 115.06 3msp n GLN 15 Ca 0.01 0.13 -0.06 0.00 -0.01 0.00 0.00 57.00 57.07 3msp n GLN 15 Cb 0.08 -1.06 0.00 0.00 1.02 0.00 0.00 30.24 30.29 3msp n GLN 15 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3msp n LYS 16 N -3.94 0.52 -3.73 -1.09 5.02 -1.26 -4.10 118.16 109.58 3msp n LYS 16 Ca -0.17 -1.38 -0.12 0.00 -2.02 0.00 0.00 58.31 54.61 3msp n LYS 16 Cb 0.46 1.53 -0.11 0.00 -0.02 0.00 0.00 35.03 36.89 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 -2.57 -0.01 -0.25 -0.18 2.07 -0.89 -4.61 121.20 114.76 3msp s ILE 17 Ca 0.12 0.04 0.01 0.00 -1.41 0.00 0.00 60.65 59.41 3msp s ILE 17 Cb -0.02 -0.53 0.07 0.00 0.13 0.00 0.00 42.46 42.11 3msp s ILE 17 CO 0.09 0.02 -0.02 0.54 -1.91 0.00 0.00 174.94 173.65 3msp s VAL 18 N 0.62 1.49 -0.03 4.00 0.11 -1.26 -1.35 120.40 123.98 3msp s VAL 18 Ca -0.03 -1.32 -0.30 0.00 -2.93 0.00 0.00 61.98 57.40 3msp s VAL 18 Cb -0.05 -1.84 -0.06 0.00 -1.53 0.00 0.00 36.38 32.90 3msp s VAL 18 CO -0.04 -0.22 1.74 -0.36 -3.33 0.00 0.00 175.10 172.89 3msp s PHE 19 N 1.39 1.79 0.06 1.54 0.08 -0.24 -4.75 117.98 117.84 3msp s PHE 19 Ca -0.02 0.01 -0.25 0.00 0.12 0.00 0.00 56.93 56.79 3msp s PHE 19 Cb -0.19 -4.01 -0.06 0.00 -0.57 0.00 0.00 43.02 38.20 3msp s PHE 19 CO -0.08 -4.32 0.78 -0.80 -0.10 0.00 0.00 175.22 170.69 3msp s ASN 20 N 3.64 7.24 1.12 1.36 0.01 -1.26 -1.97 114.94 125.09 3msp s ASN 20 Ca 0.77 1.49 -0.19 0.00 -0.71 0.00 0.00 52.86 54.22 3msp s ASN 20 Cb -0.36 -2.48 0.11 0.00 0.41 0.00 0.00 41.25 38.93 3msp s ASN 20 CO 0.33 0.02 -0.03 0.00 -1.51 0.00 0.00 177.10 175.91 3msp n ALA 21 N 2.72 -4.10 -1.89 0.60 0.00 -0.90 -4.83 120.51 112.12 3msp n ALA 21 Ca -0.02 -1.31 -0.30 0.00 0.00 0.00 0.00 53.44 51.80 3msp n ALA 21 Cb 0.50 -1.46 0.04 0.00 0.00 0.00 0.00 19.45 18.53 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 -3.42 2.93 -0.61 0.00 0.04 -1.26 -5.05 135.00 127.63 3msp s PRO 22 Ca 0.55 0.48 0.02 0.00 0.04 0.00 0.00 61.00 62.08 3msp s PRO 22 Cb -0.11 -2.03 0.40 0.00 0.04 0.00 0.00 34.50 32.81 3msp s PRO 22 CO 0.64 -0.99 1.60 0.66 0.04 0.00 0.00 177.00 178.96 3msp n TYR 23 N -2.98 3.14 -0.41 0.56 4.01 -1.26 -4.43 117.16 115.79 3msp n TYR 23 Ca 0.07 -2.69 0.00 0.00 -0.16 0.00 0.00 57.90 55.12 3msp n TYR 23 Cb 0.57 -0.73 0.00 0.00 -0.31 0.00 0.00 39.34 38.87 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 -0.59 0.92 -3.79 7.72 9.92 -1.26 -2.90 116.55 126.57 3msp n ASP 24 Ca 0.49 -1.33 -0.17 0.00 -0.53 0.00 0.00 54.79 53.25 3msp n ASP 24 Cb 0.53 0.00 -0.16 0.00 -0.64 0.00 0.00 41.12 40.85 3msp n ASP 24 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 3msp s ASP 25 N -0.33 0.36 -0.49 -2.24 1.11 -1.26 -4.96 116.67 108.86 3msp s ASP 25 Ca 0.00 0.00 -0.34 0.00 0.18 0.00 0.00 52.55 52.40 3msp s ASP 25 Cb 0.00 -0.17 -0.13 0.00 1.07 0.00 0.00 42.92 43.69 3msp s ASP 25 CO 0.00 -0.12 2.31 0.29 1.18 0.00 0.00 175.17 178.82 3msp n LYS 26 N 4.25 0.81 -4.05 8.23 5.02 -1.26 -4.77 118.16 126.39 3msp n LYS 26 Ca -0.25 0.17 -0.30 0.00 -2.02 0.00 0.00 58.31 55.91 3msp n LYS 26 Cb 0.50 -2.39 -0.06 0.00 -0.02 0.00 0.00 35.03 33.06 3msp n LYS 26 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3msp s HIS 27 N 8.28 3.18 -0.32 2.13 3.76 -1.26 -5.02 115.29 126.05 3msp s HIS 27 Ca 1.13 0.07 -0.02 0.00 -0.15 0.00 0.00 55.06 56.09 3msp s HIS 27 Cb -0.86 -1.61 0.11 0.00 1.11 0.00 0.00 32.58 31.32 3msp s HIS 27 CO 0.47 0.52 0.14 0.99 -0.85 0.00 0.00 174.74 176.00 3msp s THR 28 N -1.41 0.39 -0.15 1.30 2.01 -1.26 -2.61 115.64 113.92 3msp s THR 28 Ca 0.29 -1.24 -0.23 0.00 0.31 0.00 0.00 61.69 60.83 3msp s THR 28 Cb -0.12 -1.31 -0.03 0.00 0.01 0.00 0.00 72.50 71.05 3msp s THR 28 CO 0.22 -0.76 0.70 -0.31 -0.69 0.00 0.00 174.62 173.78 3msp s TYR 29 N 1.67 3.45 -0.14 4.92 1.51 -1.06 -4.71 117.35 122.99 3msp s TYR 29 Ca 0.11 1.10 -0.15 0.00 -1.01 0.00 0.00 57.07 57.13 3msp s TYR 29 Cb -0.18 -2.85 -0.05 0.00 -0.11 0.00 0.00 41.96 38.77 3msp s TYR 29 CO -0.25 -0.11 0.34 -1.01 -1.11 0.00 0.00 175.55 173.41 3msp s HIS 30 N 1.63 3.49 0.11 2.71 3.76 -1.26 -0.88 115.29 124.85 3msp s HIS 30 Ca 0.34 0.69 -0.02 0.00 -0.15 0.00 0.00 55.06 55.92 3msp s HIS 30 Cb -0.16 -2.39 -0.05 0.00 1.11 0.00 0.00 32.58 31.09 3msp s HIS 30 CO 0.13 0.25 0.30 0.42 -0.85 0.00 0.00 174.74 174.98 3msp s ILE 31 N 0.42 5.28 -0.14 0.60 1.01 -0.21 -4.93 121.20 123.23 3msp s ILE 31 Ca 0.19 -0.22 -0.05 0.00 0.00 0.00 0.00 60.65 60.57 3msp s ILE 31 Cb -0.14 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 38.66 3msp s ILE 31 CO 0.06 0.06 0.05 -0.54 0.00 0.00 0.00 174.94 174.57 3msp s LYS 32 N -2.67 3.59 0.06 2.79 1.02 -1.04 -2.48 119.74 121.01 3msp s LYS 32 Ca 0.38 -0.35 0.01 0.00 0.02 0.00 0.00 55.97 56.03 3msp s LYS 32 Cb -0.12 -3.06 -0.03 0.00 -0.52 0.00 0.00 37.83 34.09 3msp s LYS 32 CO 0.27 0.47 -0.06 0.42 -0.92 0.00 0.00 175.35 175.52 3msp s ILE 33 N -0.20 0.51 0.10 2.17 1.01 -0.90 -1.76 121.20 122.14 3msp s ILE 33 Ca 0.07 -1.46 -0.17 0.00 0.00 0.00 0.00 60.65 59.09 3msp s ILE 33 Cb -0.12 -1.07 0.04 0.00 0.01 0.00 0.00 42.46 41.31 3msp s ILE 33 CO 0.02 -0.65 0.41 -0.89 0.00 0.00 0.00 174.94 173.83 3msp s THR 34 N -2.52 0.06 -0.31 2.92 2.01 -0.76 -1.17 115.64 115.87 3msp s THR 34 Ca -0.01 -0.51 -0.07 0.00 0.31 0.00 0.00 61.69 61.41 3msp s THR 34 Cb -0.02 -1.10 0.01 0.00 0.01 0.00 0.00 72.50 71.40 3msp s THR 34 CO -0.03 -0.28 0.10 0.21 -0.69 0.00 0.00 174.62 173.93 3msp s ASN 35 N -2.55 5.23 -0.14 3.53 3.84 -0.88 -1.71 114.94 122.26 3msp s ASN 35 Ca 0.00 -0.76 0.08 0.00 0.21 0.00 0.00 52.86 52.40 3msp s ASN 35 Cb 0.01 -1.90 0.50 0.00 -0.55 0.00 0.00 41.25 39.31 3msp s ASN 35 CO -0.09 -0.22 1.26 0.00 -2.79 0.00 0.00 177.10 175.26 3msp n ALA 36 N 4.88 3.34 -4.13 1.71 0.00 -1.25 -0.79 120.51 124.26 3msp n ALA 36 Ca -0.14 -1.16 -0.23 0.00 0.00 0.00 0.00 53.44 51.92 3msp n ALA 36 Cb 0.48 -1.08 -0.02 0.00 0.00 0.00 0.00 19.45 18.83 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 0.39 3.22 0.94 0.00 0.00 -1.26 -4.80 105.19 103.67 3msp n GLY 37 Ca 0.17 -2.30 0.08 0.00 0.00 0.00 0.00 46.02 43.98 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 0.21 3.94 3.18 -0.02 0.00 -1.26 -3.58 105.19 107.67 3msp n GLY 38 Ca -0.08 -1.02 -0.09 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.76 0.85 0.94 1.61 0.52 -1.26 -4.86 118.95 113.98 3msp s ARG 39 Ca 0.42 -1.16 -0.11 0.00 -0.52 0.00 0.00 55.73 54.36 3msp s ARG 39 Cb 0.34 0.29 0.16 0.00 0.52 0.00 0.00 34.95 36.26 3msp s ARG 39 CO 0.09 -0.25 1.09 1.03 0.02 0.00 0.00 175.30 177.29 3msp s ARG 40 N -3.93 0.85 -0.10 3.54 0.52 -1.26 -4.39 118.95 114.18 3msp s ARG 40 Ca 0.11 1.04 -0.12 0.00 -0.52 0.00 0.00 55.73 56.25 3msp s ARG 40 Cb 0.06 -1.74 0.03 0.00 0.52 0.00 0.00 34.95 33.81 3msp s ARG 40 CO -0.06 -2.58 0.32 0.96 0.02 0.00 0.00 175.30 173.96 3msp s ILE 41 N -2.76 0.01 -0.50 1.52 -4.36 -0.81 -2.37 121.20 111.92 3msp s ILE 41 Ca 0.65 -0.10 -0.14 0.00 -0.26 0.00 0.00 60.65 60.81 3msp s ILE 41 Cb -0.20 -0.49 0.12 0.00 1.25 0.00 0.00 42.46 43.13 3msp s ILE 41 CO 0.59 -0.05 0.43 -0.83 0.24 0.00 0.00 174.94 175.31 3msp s GLY 42 N -0.13 2.06 0.08 6.27 0.00 -0.87 -1.50 107.32 113.22 3msp s GLY 42 Ca -0.03 -2.46 0.03 0.00 0.00 0.00 0.00 44.72 42.26 3msp s GLY 42 CO 0.01 1.14 0.07 0.66 0.00 0.00 0.00 173.10 174.98 3msp s TRP 43 N 1.52 3.18 -0.10 1.90 1.48 -0.90 -2.21 118.94 123.80 3msp s TRP 43 Ca 0.04 0.07 -0.06 0.00 -1.06 0.00 0.00 56.10 55.09 3msp s TRP 43 Cb -0.28 -1.62 0.04 0.00 -1.16 0.00 0.00 33.47 30.45 3msp s TRP 43 CO 0.02 0.52 0.24 0.00 -4.06 0.00 0.00 176.95 173.68 3msp s ALA 44 N -1.37 -0.57 0.22 2.67 0.00 -0.55 -2.03 121.76 120.13 3msp s ALA 44 Ca 0.29 0.93 -0.07 0.00 0.00 0.00 0.00 51.96 53.11 3msp s ALA 44 Cb -0.12 -0.58 -0.06 0.00 0.00 0.00 0.00 23.12 22.36 3msp s ALA 44 CO 0.21 -0.18 0.49 0.42 0.00 0.00 0.00 175.76 176.71 3msp s ILE 45 N 1.01 5.03 -0.01 0.00 -1.09 -0.89 -2.57 121.20 122.68 3msp s ILE 45 Ca -0.07 0.22 0.00 0.00 -2.23 0.00 0.00 60.65 58.57 3msp s ILE 45 Cb -0.08 -3.65 0.00 0.00 -1.58 0.00 0.00 42.46 37.15 3msp s ILE 45 CO -0.07 -0.10 -0.01 -0.54 -1.23 0.00 0.00 174.94 172.99 3msp s LYS 46 N -2.96 0.15 0.09 2.79 1.02 -0.66 -4.92 119.74 115.24 3msp s LYS 46 Ca 0.44 -0.03 0.08 0.00 0.02 0.00 0.00 55.97 56.49 3msp s LYS 46 Cb -0.11 -0.18 -0.03 0.00 -0.52 0.00 0.00 37.83 36.98 3msp s LYS 46 CO 0.25 0.01 -0.22 0.95 -0.92 0.00 0.00 175.35 175.41 3msp s THR 47 N 0.15 1.78 0.27 2.17 -4.23 -1.26 -1.84 115.64 112.68 3msp s THR 47 Ca -0.01 -1.51 -0.00 0.00 -1.18 0.00 0.00 61.69 58.99 3msp s THR 47 Cb -0.03 -1.60 0.28 0.00 1.34 0.00 0.00 72.50 72.49 3msp s THR 47 CO -0.00 0.02 1.85 0.71 -0.54 0.00 0.00 174.62 176.65 3msp h THR 48 N 4.10 0.99 -3.23 3.99 1.35 -1.93 -3.38 112.91 114.80 3msp h THR 48 Ca -0.46 -0.37 -0.56 0.00 -0.55 0.00 0.00 66.41 64.47 3msp h THR 48 Cb 1.17 -0.17 -0.37 0.00 -1.73 0.00 0.00 68.15 67.05 3msp h THR 48 CO 0.40 0.19 -0.81 0.20 -0.25 0.00 0.00 175.52 175.26 3msp s ASN 49 N -5.77 2.62 -0.08 5.36 0.01 -1.26 -4.99 114.94 110.82 3msp s ASN 49 Ca -0.12 -0.51 0.08 0.00 -0.71 0.00 0.00 52.86 51.60 3msp s ASN 49 Cb 0.21 -0.99 0.38 0.00 0.41 0.00 0.00 41.25 41.26 3msp s ASN 49 CO 0.81 -0.12 1.16 0.23 -1.51 0.00 0.00 177.10 177.67 3msp n MET 50 N 4.85 2.57 -0.05 -0.60 2.81 -1.26 -2.68 117.12 122.77 3msp n MET 50 Ca -0.14 -1.47 -0.05 0.00 -1.81 0.00 0.00 57.70 54.23 3msp n MET 50 Cb 0.49 -1.68 -0.07 0.00 -0.71 0.00 0.00 33.22 31.25 3msp n MET 50 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 3msp n ARG 51 N 0.39 2.13 -0.03 0.03 1.85 -1.26 -4.66 116.66 115.11 3msp n ARG 51 Ca 0.13 0.01 0.04 0.00 -1.00 0.00 0.00 57.85 57.03 3msp n ARG 51 Cb 0.58 -1.24 -0.15 0.00 -1.05 0.00 0.00 32.46 30.60 3msp n ARG 51 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3msp n ARG 52 N -2.42 0.72 -4.81 2.89 1.74 -1.25 -4.95 116.66 108.57 3msp n ARG 52 Ca -0.16 -0.13 -0.25 0.00 -0.77 0.00 0.00 57.85 56.54 3msp n ARG 52 Cb 0.79 -1.48 -0.15 0.00 -1.02 0.00 0.00 32.46 30.60 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 -4.70 2.00 -0.19 0.55 1.43 -1.09 -2.48 118.68 114.20 3msp s LEU 53 Ca -0.08 -0.31 -0.05 0.00 -1.03 0.00 0.00 54.13 52.66 3msp s LEU 53 Cb 0.11 -0.89 0.09 0.00 0.03 0.00 0.00 46.19 45.53 3msp s LEU 53 CO 0.81 0.19 0.34 -0.44 0.23 0.00 0.00 176.35 177.48 3msp s SER 54 N -0.28 0.22 0.23 2.29 0.01 -0.97 -4.30 113.70 110.90 3msp s SER 54 Ca 0.04 0.56 -0.04 0.00 1.31 0.00 0.00 55.95 57.83 3msp s SER 54 Cb -0.08 0.98 -0.05 0.00 0.21 0.00 0.00 66.02 67.09 3msp s SER 54 CO 0.00 -0.26 0.46 -0.69 0.41 0.00 0.00 173.24 173.16 3msp s VAL 55 N 2.51 5.11 -0.11 3.43 1.01 -1.26 -2.11 120.40 128.98 3msp s VAL 55 Ca 0.03 -0.08 -0.04 0.00 0.00 0.00 0.00 61.98 61.90 3msp s VAL 55 Cb -0.13 -3.71 0.05 0.00 0.00 0.00 0.00 36.38 32.60 3msp s VAL 55 CO -0.12 -0.19 0.22 -1.81 0.00 0.00 0.00 175.10 173.21 3msp s ASP 56 N -2.98 0.26 0.35 3.32 1.01 -0.91 -3.40 116.67 114.32 3msp s ASP 56 Ca 0.42 0.49 -0.25 0.00 0.71 0.00 0.00 52.55 53.91 3msp s ASP 56 Cb -0.11 0.48 -0.10 0.00 1.01 0.00 0.00 42.92 44.21 3msp s ASP 56 CO 0.28 -0.21 0.99 -2.16 0.21 0.00 0.00 175.17 174.28 3msp s PRO 57 N 2.00 4.43 0.21 8.23 0.04 -1.26 -2.00 135.00 146.65 3msp s PRO 57 Ca -0.02 1.41 0.20 0.00 0.04 0.00 0.00 61.00 62.63 3msp s PRO 57 Cb -0.12 -2.70 0.90 0.00 0.04 0.00 0.00 34.50 32.62 3msp s PRO 57 CO -0.08 0.12 1.61 -0.35 0.04 0.00 0.00 177.00 178.34 3msp n PRO 58 N 0.32 0.14 -3.65 0.56 -0.04 -1.22 -4.71 135.00 126.40 3msp n PRO 58 Ca 0.03 0.45 0.00 0.00 -0.04 0.00 0.00 63.50 63.94 3msp n PRO 58 Cb 0.50 -1.81 -0.06 0.00 -0.04 0.00 0.00 33.50 32.09 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 3.18 2.03 3.19 0.00 0.00 -0.86 -4.96 105.19 107.77 3msp n GLY 60 Ca -0.17 -1.54 -0.35 0.00 0.00 0.00 0.00 46.02 43.95 3msp n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3msp s VAL 61 N -2.70 3.03 0.33 1.61 0.11 -1.26 -2.13 120.40 119.40 3msp s VAL 61 Ca 0.25 -1.25 -0.24 0.00 -2.93 0.00 0.00 61.98 57.80 3msp s VAL 61 Cb -0.01 -2.68 -0.10 0.00 -1.53 0.00 0.00 36.38 32.05 3msp s VAL 61 CO 0.18 -0.02 0.92 -0.76 -3.33 0.00 0.00 175.10 172.09 3msp s LEU 62 N 1.29 4.26 0.45 2.54 1.43 -0.56 -4.84 118.68 123.25 3msp s LEU 62 Ca -0.03 1.77 0.08 0.00 -1.03 0.00 0.00 54.13 54.91 3msp s LEU 62 Cb -0.19 -4.08 0.02 0.00 0.03 0.00 0.00 46.19 41.97 3msp s LEU 62 CO -0.02 -0.11 0.56 -1.81 0.23 0.00 0.00 176.35 175.20 3msp s ASP 63 N -1.73 5.39 0.13 2.29 1.01 -1.26 -1.93 116.67 120.58 3msp s ASP 63 Ca 0.52 -0.60 -0.33 0.00 0.71 0.00 0.00 52.55 52.85 3msp s ASP 63 Cb -0.17 -0.43 -0.13 0.00 1.01 0.00 0.00 42.92 43.21 3msp s ASP 63 CO 0.21 -0.86 1.69 -2.65 0.21 0.00 0.00 175.17 173.78 3msp n PRO 64 N -1.85 2.40 -3.32 8.23 -0.02 -1.26 -1.98 135.00 137.19 3msp n PRO 64 Ca 0.08 0.87 -0.21 0.00 -2.02 0.00 0.00 63.50 62.22 3msp n PRO 64 Cb 0.60 -2.69 -0.01 0.00 -0.02 0.00 0.00 33.50 31.38 3msp n PRO 64 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 3msp n LYS 65 N 4.35 -2.88 -3.93 -0.52 0.00 0.03 -4.92 118.16 110.29 3msp n LYS 65 Ca 0.18 0.36 -0.36 0.00 -0.00 0.00 0.00 58.31 58.49 3msp n LYS 65 Cb 0.32 -5.01 -0.07 0.00 -0.00 0.00 0.00 35.03 30.26 3msp n LYS 65 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.40 175.40 3msp s GLU 66 N -5.95 3.60 -0.30 -1.58 2.56 -0.84 -4.84 118.70 111.36 3msp s GLU 66 Ca 0.37 -0.21 -0.07 0.00 0.00 0.00 0.00 54.97 55.06 3msp s GLU 66 Cb -0.20 -3.19 0.02 0.00 2.00 0.00 0.00 34.13 32.76 3msp s GLU 66 CO 0.45 0.61 0.08 0.15 -0.56 0.00 0.00 175.26 175.99 3msp s LYS 67 N -0.54 2.99 0.16 4.30 3.01 -1.26 -2.07 119.74 126.33 3msp s LYS 67 Ca 0.12 -0.93 0.04 0.00 -1.01 0.00 0.00 55.97 54.19 3msp s LYS 67 Cb -0.12 -3.38 -0.04 0.00 -1.01 0.00 0.00 37.83 33.28 3msp s LYS 67 CO 0.02 -0.49 0.21 0.14 0.51 0.00 0.00 175.35 175.74 3msp s VAL 68 N 1.48 4.90 -0.14 3.17 -7.23 -0.32 -4.97 120.40 117.30 3msp s VAL 68 Ca 0.02 -0.90 -0.00 0.00 -1.81 0.00 0.00 61.98 59.29 3msp s VAL 68 Cb -0.18 -3.52 0.03 0.00 0.56 0.00 0.00 36.38 33.27 3msp s VAL 68 CO 0.02 -0.11 -0.11 -0.22 -0.31 0.00 0.00 175.10 174.38 3msp s LEU 69 N -3.20 1.51 0.33 1.32 2.96 -1.26 -2.11 118.68 118.23 3msp s LEU 69 Ca 0.33 -0.45 0.08 0.00 -0.22 0.00 0.00 54.13 53.87 3msp s LEU 69 Cb -0.10 -1.03 -0.05 0.00 0.50 0.00 0.00 46.19 45.52 3msp s LEU 69 CO 0.26 -0.10 0.10 0.00 -1.32 0.00 0.00 176.35 175.29 3msp s MET 70 N 1.58 2.29 0.21 1.98 0.23 -1.04 -4.83 119.30 119.73 3msp s MET 70 Ca 0.04 -1.59 0.11 0.00 -1.03 0.00 0.00 55.69 53.22 3msp s MET 70 Cb -0.13 -2.11 -0.04 0.00 -1.53 0.00 0.00 34.83 31.01 3msp s MET 70 CO -0.09 0.14 -0.19 0.00 -2.03 0.00 0.00 175.02 172.84 3msp s ALA 71 N -2.44 2.69 -0.27 3.16 0.00 -0.85 -1.04 121.76 123.01 3msp s ALA 71 Ca 0.36 -1.64 -0.00 0.00 0.00 0.00 0.00 51.96 50.68 3msp s ALA 71 Cb -0.02 -0.43 0.08 0.00 0.00 0.00 0.00 23.12 22.75 3msp s ALA 71 CO 0.22 0.41 0.04 0.08 0.00 0.00 0.00 175.76 176.50 3msp s VAL 72 N -1.85 1.11 -0.13 0.00 1.01 -0.06 -2.14 120.40 118.35 3msp s VAL 72 Ca 0.24 -1.28 -0.26 0.00 0.00 0.00 0.00 61.98 60.68 3msp s VAL 72 Cb -0.08 -1.67 -0.02 0.00 0.00 0.00 0.00 36.38 34.61 3msp s VAL 72 CO 0.12 -0.43 0.83 -0.94 0.00 0.00 0.00 175.10 174.68 3msp s SER 73 N 1.54 7.02 -0.34 3.32 1.04 -0.90 -2.55 113.70 122.83 3msp s SER 73 Ca 0.04 1.24 0.01 0.00 0.48 0.00 0.00 55.95 57.71 3msp s SER 73 Cb -0.18 -2.46 0.11 0.00 0.10 0.00 0.00 66.02 63.59 3msp s SER 73 CO -0.15 -0.33 0.12 0.00 0.98 0.00 0.00 173.24 173.86 3msp n ASP 75 N 4.52 -1.34 -4.75 0.00 8.00 -1.04 -4.05 116.55 117.90 3msp n ASP 75 Ca 0.01 0.58 -0.35 0.00 0.71 0.00 0.00 54.79 55.73 3msp n ASP 75 Cb 0.41 -1.20 0.05 0.00 -0.02 0.00 0.00 41.12 40.35 3msp n ASP 75 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 3msp s THR 76 N -1.93 2.56 0.00 -3.53 -4.23 -1.26 -4.98 115.64 102.27 3msp s THR 76 Ca 0.65 0.33 0.00 0.00 -1.18 0.00 0.00 61.69 61.48 3msp s THR 76 Cb -0.35 -3.06 0.00 0.00 1.34 0.00 0.00 72.50 70.44 3msp s THR 76 CO 0.59 -0.10 0.00 2.22 -0.54 0.00 0.00 174.62 176.79 3msp n PHE 77 N -1.89 -0.06 -3.53 3.99 -1.74 -1.14 -5.02 117.46 108.06 3msp n PHE 77 Ca 0.14 0.00 -0.29 0.00 -0.56 0.00 0.00 57.45 56.73 3msp n PHE 77 Cb 0.50 0.00 -0.13 0.00 1.52 0.00 0.00 39.48 41.37 3msp n PHE 77 CO 0.00 0.00 0.00 1.21 -0.56 0.00 0.00 176.76 177.41 3msp s ASN 78 N 1.08 3.29 0.52 5.98 2.47 -1.26 -4.76 114.94 122.25 3msp s ASN 78 Ca 0.00 -1.95 0.34 0.00 0.42 0.00 0.00 52.86 51.66 3msp s ASN 78 Cb 0.00 -0.50 1.48 0.00 -1.45 0.00 0.00 41.25 40.78 3msp s ASN 78 CO 0.00 -0.35 2.00 0.00 -3.72 0.00 0.00 177.10 175.03 3msp h ALA 79 N 7.44 1.00 -1.20 1.71 0.00 -1.95 -3.10 119.26 123.17 3msp h ALA 79 Ca -0.03 0.00 0.35 0.00 0.00 0.00 0.00 54.91 55.22 3msp h ALA 79 Cb 0.98 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 3msp h ALA 79 CO 0.35 0.00 0.94 0.00 0.00 0.00 0.00 179.25 180.54 3msp h ALA 80 N 2.04 3.11 -1.58 0.00 0.00 -2.01 -2.48 119.26 118.33 3msp h ALA 80 Ca 0.00 -0.04 -0.43 0.00 0.00 0.00 0.00 54.91 54.44 3msp h ALA 80 Cb 0.39 0.09 -0.36 0.00 0.00 0.00 0.00 17.79 17.92 3msp h ALA 80 CO 0.00 -1.55 -1.06 0.25 0.00 0.00 0.00 179.25 176.88 3msp n THR 81 N -3.98 -0.06 -3.46 0.00 -2.24 -1.17 -5.11 114.28 98.26 3msp n THR 81 Ca 0.26 -3.94 -0.12 0.00 -2.27 0.00 0.00 64.05 57.99 3msp n THR 81 Cb 1.32 0.11 -0.02 0.00 -2.10 0.00 0.00 70.33 69.64 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 -2.00 1.27 0.44 -0.78 2.02 -0.94 -5.05 118.70 113.67 3msp s GLU 82 Ca 0.36 -0.51 -0.15 0.00 0.02 0.00 0.00 54.97 54.68 3msp s GLU 82 Cb 0.35 0.58 -0.08 0.00 0.10 0.00 0.00 34.13 35.07 3msp s GLU 82 CO -0.07 -0.55 0.88 0.16 0.02 0.00 0.00 175.26 175.70 3msp s ASP 83 N -2.76 6.66 -0.25 -0.19 1.47 -1.26 -4.90 116.67 115.44 3msp s ASP 83 Ca 0.02 1.41 0.14 0.00 1.18 0.00 0.00 52.55 55.30 3msp s ASP 83 Cb -0.01 -2.44 0.47 0.00 -0.34 0.00 0.00 42.92 40.61 3msp s ASP 83 CO -0.12 -0.44 1.16 0.18 0.68 0.00 0.00 175.17 176.63 3msp n LEU 84 N -1.16 3.26 -1.34 2.11 4.77 -1.26 -4.73 117.00 118.65 3msp n LEU 84 Ca 0.05 -3.87 0.00 0.00 -0.03 0.00 0.00 56.01 52.16 3msp n LEU 84 Cb 0.54 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.57 3msp n LEU 84 CO 0.44 1.55 0.16 0.59 -1.33 0.00 0.00 177.39 178.80 3msp n ASN 85 N -0.63 0.33 -0.04 -1.43 3.02 -1.26 -4.65 115.26 110.61 3msp n ASN 85 Ca 0.26 -2.00 -0.07 0.00 -0.03 0.00 0.00 54.58 52.74 3msp n ASN 85 Cb 0.90 -0.10 -0.03 0.00 -0.61 0.00 0.00 39.78 39.93 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 0.33 1.89 -4.72 6.41 5.03 -1.26 -5.03 115.26 117.90 3msp n ASN 86 Ca -0.05 0.03 -0.42 0.00 0.87 0.00 0.00 54.58 55.01 3msp n ASN 86 Cb 1.00 -0.18 -0.01 0.00 -1.02 0.00 0.00 39.78 39.57 3msp n ASN 86 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 3msp n ASP 87 N -3.07 3.24 -3.64 6.41 8.00 -1.26 -4.95 116.55 121.28 3msp n ASP 87 Ca -0.15 1.19 -0.07 0.00 0.71 0.00 0.00 54.79 56.48 3msp n ASP 87 Cb 0.63 -1.53 -0.07 0.00 -0.02 0.00 0.00 41.12 40.12 3msp n ASP 87 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3msp s ARG 88 N -1.51 0.61 -0.23 -1.24 1.70 -1.26 -1.85 118.95 115.17 3msp s ARG 88 Ca 0.58 0.98 -0.06 0.00 -0.47 0.00 0.00 55.73 56.76 3msp s ARG 88 Cb -0.54 0.17 -0.02 0.00 -0.57 0.00 0.00 34.95 33.98 3msp s ARG 88 CO 0.59 -0.12 0.03 0.42 -1.08 0.00 0.00 175.30 175.14 3msp s ILE 89 N 1.25 4.07 -0.11 4.99 1.01 -0.99 -3.57 121.20 127.85 3msp s ILE 89 Ca -0.07 -0.26 -0.05 0.00 0.00 0.00 0.00 60.65 60.27 3msp s ILE 89 Cb -0.05 -2.87 -0.04 0.00 0.01 0.00 0.00 42.46 39.52 3msp s ILE 89 CO -0.14 0.39 0.06 -0.89 0.00 0.00 0.00 174.94 174.36 3msp s THR 90 N 1.34 4.84 -0.15 2.92 2.01 -0.77 -0.70 115.64 125.13 3msp s THR 90 Ca 0.05 -0.04 0.01 0.00 0.31 0.00 0.00 61.69 62.02 3msp s THR 90 Cb -0.15 -3.09 0.01 0.00 0.01 0.00 0.00 72.50 69.28 3msp s THR 90 CO 0.02 0.59 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.73 3msp s ILE 91 N -0.79 2.36 -0.14 1.82 1.09 -0.74 -1.66 121.20 123.15 3msp s ILE 91 Ca 0.13 -0.87 0.01 0.00 -1.10 0.00 0.00 60.65 58.82 3msp s ILE 91 Cb -0.12 -1.98 0.02 0.00 -1.06 0.00 0.00 42.46 39.32 3msp s ILE 91 CO 0.03 0.53 -0.16 -1.61 -0.10 0.00 0.00 174.94 173.62 3msp s GLU 92 N 0.90 2.48 0.02 2.79 8.01 -1.06 0.02 118.70 131.86 3msp s GLU 92 Ca -0.04 -0.64 0.04 0.00 0.01 0.00 0.00 54.97 54.34 3msp s GLU 92 Cb -0.15 -2.17 -0.02 0.00 -4.31 0.00 0.00 34.13 27.48 3msp s GLU 92 CO -0.03 -0.16 -0.13 1.67 0.01 0.00 0.00 175.26 176.63 3msp s TRP 93 N 1.24 1.10 -0.11 1.61 -2.14 -1.04 -1.49 118.94 118.12 3msp s TRP 93 Ca 0.01 -0.30 -0.04 0.00 2.66 0.00 0.00 56.10 58.43 3msp s TRP 93 Cb -0.14 -0.68 0.06 0.00 -3.10 0.00 0.00 33.47 29.61 3msp s TRP 93 CO -0.08 0.01 0.21 -0.08 -2.66 0.00 0.00 176.95 174.35 3msp s THR 94 N -0.64 -0.32 0.31 0.66 -1.32 -0.94 -1.71 115.64 111.67 3msp s THR 94 Ca 0.02 0.31 -0.25 0.00 -1.21 0.00 0.00 61.69 60.56 3msp s THR 94 Cb -0.07 -0.37 -0.15 0.00 -1.51 0.00 0.00 72.50 70.41 3msp s THR 94 CO 0.01 0.13 0.52 -0.46 -2.21 0.00 0.00 174.62 172.60 3msp n ASN 95 N 5.28 -1.08 -4.80 8.08 0.23 -1.26 -2.05 115.26 119.65 3msp n ASN 95 Ca -0.06 1.02 -0.36 0.00 -0.53 0.00 0.00 54.58 54.65 3msp n ASN 95 Cb 0.50 -1.03 -0.06 0.00 -2.08 0.00 0.00 39.78 37.10 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 -1.27 4.38 1.04 5.53 -4.23 -1.00 -4.80 115.64 115.30 3msp s THR 96 Ca 0.62 1.54 -0.12 0.00 -1.18 0.00 0.00 61.69 62.55 3msp s THR 96 Cb -0.75 -3.85 0.22 0.00 1.34 0.00 0.00 72.50 69.45 3msp s THR 96 CO 0.59 0.04 1.07 -2.16 -0.54 0.00 0.00 174.62 173.62 3msp s PRO 97 N -2.35 0.03 -0.40 3.99 0.04 -1.26 -4.80 135.00 130.26 3msp s PRO 97 Ca 0.51 1.03 -0.41 0.00 0.04 0.00 0.00 61.00 62.17 3msp s PRO 97 Cb -0.15 -1.65 -0.16 0.00 0.04 0.00 0.00 34.50 32.57 3msp s PRO 97 CO 0.20 -3.14 1.96 -0.25 0.04 0.00 0.00 177.00 175.81 3msp n ASP 98 N -4.53 1.65 -4.03 6.66 8.00 -1.26 -1.00 116.55 122.05 3msp n ASP 98 Ca 0.06 0.80 -0.27 0.00 0.71 0.00 0.00 54.79 56.10 3msp n ASP 98 Cb 0.54 -1.06 -0.04 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 5.78 -0.21 0.00 0.44 0.00 -1.26 -4.90 105.19 105.04 3msp n GLY 99 Ca 0.40 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.57 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 -4.43 -0.10 0.00 4.61 0.00 -0.17 -4.99 120.51 115.43 3msp n ALA 100 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.14 3msp n ALA 100 Cb 0.68 0.14 0.00 0.00 0.00 0.00 0.00 19.45 20.27 3msp n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3msp n ALA 101 N -1.27 0.00 -2.19 0.00 0.00 -1.26 -5.04 120.51 110.75 3msp n ALA 101 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 3msp n ALA 101 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3msp n ALA 101 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3msp n LYS 102 N -0.37 3.51 0.00 0.00 5.02 -1.26 -4.78 118.16 120.29 3msp n LYS 102 Ca 0.00 -3.32 0.00 0.00 -2.02 0.00 0.00 58.31 52.97 3msp n LYS 102 Cb 0.00 -2.98 0.00 0.00 -0.02 0.00 0.00 35.03 32.03 3msp n LYS 102 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3msp n GLN 103 N 4.20 0.00 -1.60 1.97 10.64 -1.26 -5.13 117.38 126.20 3msp n GLN 103 Ca 0.43 0.00 -0.51 0.00 -1.83 0.00 0.00 57.00 55.10 3msp n GLN 103 Cb 0.36 0.00 -0.05 0.00 -0.86 0.00 0.00 30.24 29.69 3msp n GLN 103 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 3msp n PHE 104 N 0.00 1.53 -4.36 2.61 -0.00 -1.26 -4.98 117.46 111.00 3msp n PHE 104 Ca 0.00 0.62 -0.27 0.00 -0.00 0.00 0.00 57.45 57.79 3msp n PHE 104 Cb 0.00 -2.34 -0.13 0.00 -0.00 0.00 0.00 39.48 37.02 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 0.27 1.33 -0.36 -4.13 3.52 -1.26 -5.03 118.95 113.29 3msp s ARG 105 Ca 0.81 -1.31 0.08 0.00 -0.13 0.00 0.00 55.73 55.17 3msp s ARG 105 Cb -0.90 -1.75 0.67 0.00 -1.56 0.00 0.00 34.95 31.41 3msp s ARG 105 CO 0.48 0.41 1.78 -2.13 -0.81 0.00 0.00 175.30 175.02 3msp n ARG 106 N 0.91 2.80 0.00 5.12 0.63 -1.26 -4.24 116.66 120.62 3msp n ARG 106 Ca -0.18 -3.06 0.04 0.00 -0.92 0.00 0.00 57.85 53.72 3msp n ARG 106 Cb 0.53 -2.12 0.03 0.00 0.45 0.00 0.00 32.46 31.35 3msp n ARG 106 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3msp n GLU 107 N -0.73 0.61 -0.56 -0.14 1.02 -1.26 -4.53 120.64 115.05 3msp n GLU 107 Ca 0.46 -0.87 0.04 0.00 -0.02 0.00 0.00 57.16 56.77 3msp n GLU 107 Cb 1.42 -1.12 0.26 0.00 -0.02 0.00 0.00 31.44 31.98 3msp n GLU 107 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 3msp n TRP 108 N 0.28 1.31 -0.01 -0.32 8.01 -1.26 -3.86 117.44 121.58 3msp n TRP 108 Ca 0.04 -0.45 0.01 0.00 -1.31 0.00 0.00 57.50 55.79 3msp n TRP 108 Cb 0.19 -0.36 -0.04 0.00 -2.01 0.00 0.00 31.31 29.10 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 0.40 0.00 0.11 -5.99 3.01 -1.26 -4.61 117.46 109.12 3msp n PHE 109 Ca 0.17 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.69 3msp n PHE 109 Cb 0.84 -0.16 0.52 0.00 -0.01 0.00 0.00 39.48 40.67 3msp n PHE 109 CO 0.00 0.00 0.00 -0.56 1.01 0.00 0.00 176.76 177.21 3msp h GLN 110 N 0.00 0.30 -6.97 -1.08 -0.00 -1.87 -3.43 115.11 102.06 3msp h GLN 110 Ca -0.04 -0.02 -0.56 0.00 -0.00 0.00 0.00 58.65 58.03 3msp h GLN 110 Cb 0.60 -0.07 0.14 0.00 -0.00 0.00 0.00 27.48 28.15 3msp h GLN 110 CO 0.00 0.20 0.49 0.41 -0.00 0.00 0.00 178.83 179.94 3msp n GLY 111 N -1.50 0.53 3.88 0.06 0.00 -1.26 -4.99 105.19 101.90 3msp n GLY 111 Ca 0.00 0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.93 6.58 0.00 1.61 1.01 -1.26 -4.60 116.67 119.09 3msp s ASP 112 Ca 0.71 0.83 0.00 0.00 0.71 0.00 0.00 52.55 54.80 3msp s ASP 112 Cb -0.43 -2.19 0.00 0.00 1.01 0.00 0.00 42.92 41.31 3msp s ASP 112 CO 0.50 -0.05 0.00 0.61 0.21 0.00 0.00 175.17 176.44 3msp n GLY 113 N -0.14 2.22 3.18 0.21 0.00 -1.26 -4.96 105.19 104.43 3msp n GLY 113 Ca -0.00 -0.23 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 3msp n GLY 113 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3msp n MET 114 N 0.00 -0.98 -0.76 1.61 2.81 -1.26 -4.83 117.12 113.71 3msp n MET 114 Ca 0.00 -0.28 0.00 0.00 -1.81 0.00 0.00 57.70 55.61 3msp n MET 114 Cb 0.00 -1.44 0.00 0.00 -0.71 0.00 0.00 33.22 31.07 3msp n MET 114 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3msp n VAL 115 N -4.05 -1.51 -3.84 2.03 0.31 -1.26 -5.01 118.33 105.00 3msp n VAL 115 Ca -0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 63.99 3msp n VAL 115 Cb 0.67 -2.05 -0.05 0.00 -0.91 0.00 0.00 33.84 31.50 3msp n VAL 115 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3msp s ARG 116 N -1.31 3.50 0.19 5.55 0.52 -0.70 -4.96 118.95 121.75 3msp s ARG 116 Ca 0.00 -0.23 0.05 0.00 -0.52 0.00 0.00 55.73 55.03 3msp s ARG 116 Cb 0.00 -3.07 -0.04 0.00 0.52 0.00 0.00 34.95 32.36 3msp s ARG 116 CO 0.00 0.65 0.21 1.03 0.02 0.00 0.00 175.30 177.21 3msp s ARG 117 N -1.97 3.10 0.10 3.54 3.00 -1.26 -2.49 118.95 122.97 3msp s ARG 117 Ca 0.29 -0.84 -0.07 0.00 0.00 0.00 0.00 55.73 55.12 3msp s ARG 117 Cb -0.13 -2.73 -0.01 0.00 0.00 0.00 0.00 34.95 32.08 3msp s ARG 117 CO 0.19 0.47 0.16 0.15 0.00 0.00 0.00 175.30 176.26 3msp s LYS 118 N -3.42 0.88 -0.00 3.54 -0.14 0.10 -4.97 119.74 115.73 3msp s LYS 118 Ca 0.33 -1.10 -0.07 0.00 -1.36 0.00 0.00 55.97 53.76 3msp s LYS 118 Cb -0.10 0.32 0.00 0.00 -1.68 0.00 0.00 37.83 36.37 3msp s LYS 118 CO 0.26 -0.27 0.15 -0.80 -0.76 0.00 0.00 175.35 173.92 3msp s ASN 119 N -2.91 -0.00 -0.42 2.83 0.01 -1.26 -1.78 114.94 111.40 3msp s ASN 119 Ca 0.10 -0.14 0.05 0.00 -0.71 0.00 0.00 52.86 52.16 3msp s ASN 119 Cb 0.05 0.22 0.17 0.00 0.41 0.00 0.00 41.25 42.11 3msp s ASN 119 CO -0.07 -0.34 0.49 -0.76 -1.51 0.00 0.00 177.10 174.90 3msp s LEU 120 N -1.24 -0.35 0.91 0.60 1.43 0.12 -4.78 118.68 115.38 3msp s LEU 120 Ca -0.13 -1.74 -0.14 0.00 -1.03 0.00 0.00 54.13 51.09 3msp s LEU 120 Cb -0.07 0.91 0.01 0.00 0.03 0.00 0.00 46.19 47.06 3msp s LEU 120 CO 0.02 -0.18 0.33 -2.65 0.23 0.00 0.00 176.35 174.09 3msp n PRO 121 N 3.76 -0.15 -4.54 1.29 -0.02 -1.26 -2.35 135.00 131.73 3msp n PRO 121 Ca 0.16 -0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.32 3msp n PRO 121 Cb 0.50 -1.78 -0.12 0.00 -0.02 0.00 0.00 33.50 32.08 3msp n PRO 121 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3msp s ILE 122 N -2.27 3.06 0.14 4.25 -1.09 -0.77 -2.08 121.20 122.43 3msp s ILE 122 Ca 0.57 -1.11 -0.01 0.00 -2.23 0.00 0.00 60.65 57.87 3msp s ILE 122 Cb -0.24 -2.33 -0.04 0.00 -1.58 0.00 0.00 42.46 38.28 3msp s ILE 122 CO 0.67 0.31 0.05 -1.61 -1.23 0.00 0.00 174.94 173.13 3msp s GLU 123 N -1.56 0.96 -0.22 2.79 2.02 -0.46 -4.61 118.70 117.62 3msp s GLU 123 Ca 0.16 -1.45 -0.02 0.00 0.02 0.00 0.00 54.97 53.68 3msp s GLU 123 Cb -0.11 0.15 0.07 0.00 0.10 0.00 0.00 34.13 34.34 3msp s GLU 123 CO 0.07 -0.24 0.03 0.71 0.02 0.00 0.00 175.26 175.86 3msp s TYR 124 N -3.98 1.38 -1.06 1.61 1.51 -1.26 -1.08 117.35 114.47 3msp s TYR 124 Ca 0.24 -1.17 -0.12 0.00 -1.01 0.00 0.00 57.07 55.01 3msp s TYR 124 Cb 0.07 -1.24 0.22 0.00 -0.11 0.00 0.00 41.96 40.91 3msp s TYR 124 CO 0.02 -0.69 1.13 1.21 -1.11 0.00 0.00 175.55 176.11 3msp s ASN 125 N 1.74 7.08 0.00 2.29 2.47 -0.83 -4.99 114.94 122.69 3msp s ASN 125 Ca 0.00 -3.10 0.00 0.00 0.42 0.00 0.00 52.86 50.18 3msp s ASN 125 Cb -0.17 -2.28 0.00 0.00 -1.45 0.00 0.00 41.25 37.35 3msp s ASN 125 CO -0.11 -0.55 0.43 0.18 -3.72 0.00 0.00 177.10 173.33