#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 -3.32 0.14 0.00 7.27 -1.26 -4.92 117.38 115.29 3msp n GLN 2 Ca 0.00 2.49 -0.12 0.00 0.07 0.00 0.00 57.00 59.44 3msp n GLN 2 Cb 0.00 -2.57 -0.07 0.00 2.41 0.00 0.00 30.24 30.01 3msp n GLN 2 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 3msp h SER 3 N 2.34 -0.35 0.00 1.69 4.64 -2.08 -3.48 113.55 116.31 3msp h SER 3 Ca 0.00 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 3msp h SER 3 Cb 0.00 0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3msp h SER 3 CO 0.00 0.09 0.00 0.55 -0.87 0.00 0.00 176.83 176.60 3msp n VAL 4 N -5.08 0.00 -1.70 0.95 3.14 -1.26 -5.18 118.33 109.19 3msp n VAL 4 Ca -0.09 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.00 3msp n VAL 4 Cb 0.27 0.00 0.09 0.00 -1.06 0.00 0.00 33.84 33.13 3msp n VAL 4 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 3msp s PRO 5 N -0.83 2.07 -0.38 1.45 0.04 -1.26 -4.97 135.00 131.13 3msp s PRO 5 Ca 0.00 0.42 -0.29 0.00 0.04 0.00 0.00 61.00 61.17 3msp s PRO 5 Cb 0.00 -1.94 -0.00 0.00 0.04 0.00 0.00 34.50 32.60 3msp s PRO 5 CO 0.00 -1.58 1.61 -1.25 0.04 0.00 0.00 177.00 175.82 3msp s PRO 6 N -5.32 3.44 0.30 0.56 0.04 -1.26 -4.95 135.00 127.82 3msp s PRO 6 Ca 0.61 1.17 -0.30 0.00 0.04 0.00 0.00 61.00 62.52 3msp s PRO 6 Cb -0.13 -4.12 -0.11 0.00 0.04 0.00 0.00 34.50 30.18 3msp s PRO 6 CO 0.52 -1.73 1.55 0.20 0.04 0.00 0.00 177.00 177.59 3msp s GLY 7 N 5.04 2.26 0.67 0.56 0.00 -1.26 -4.91 107.32 109.67 3msp s GLY 7 Ca 0.70 1.53 -0.17 0.00 0.00 0.00 0.00 44.72 46.78 3msp s GLY 7 CO 0.33 2.46 0.43 1.22 0.00 0.00 0.00 173.10 177.54 3msp n ASP 8 N 1.99 -1.52 -4.42 1.64 9.92 -1.26 -4.20 116.55 118.69 3msp n ASP 8 Ca 0.07 0.63 -0.30 0.00 -0.53 0.00 0.00 54.79 54.66 3msp n ASP 8 Cb 0.38 -1.16 -0.13 0.00 -0.64 0.00 0.00 41.12 39.57 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 -1.86 2.52 0.19 0.53 -4.36 -1.26 -3.18 121.20 113.78 3msp s ILE 9 Ca 0.65 -1.44 -0.25 0.00 -0.26 0.00 0.00 60.65 59.35 3msp s ILE 9 Cb -0.38 -2.08 -0.08 0.00 1.25 0.00 0.00 42.46 41.16 3msp s ILE 9 CO 0.58 0.23 0.80 0.20 0.24 0.00 0.00 174.94 176.99 3msp s ASN 10 N -1.69 7.37 -0.01 4.36 0.01 -0.77 -4.91 114.94 119.29 3msp s ASN 10 Ca 0.15 1.66 0.03 0.00 -0.71 0.00 0.00 52.86 53.98 3msp s ASN 10 Cb -0.10 -2.50 -0.00 0.00 0.41 0.00 0.00 41.25 39.05 3msp s ASN 10 CO 0.06 0.16 -0.09 0.42 -1.51 0.00 0.00 177.10 176.14 3msp s THR 11 N -1.23 0.74 -0.18 1.60 -4.23 -1.26 -2.02 115.64 109.05 3msp s THR 11 Ca 0.38 -0.38 -0.04 0.00 -1.18 0.00 0.00 61.69 60.47 3msp s THR 11 Cb -0.22 -0.63 0.06 0.00 1.34 0.00 0.00 72.50 73.05 3msp s THR 11 CO 0.26 0.21 0.06 -1.10 -0.54 0.00 0.00 174.62 173.51 3msp s GLN 12 N -0.13 0.36 1.09 3.99 -0.21 -0.77 -2.52 119.66 121.48 3msp s GLN 12 Ca 0.02 -0.25 -0.12 0.00 0.02 0.00 0.00 55.36 55.03 3msp s GLN 12 Cb -0.05 -1.97 0.24 0.00 1.00 0.00 0.00 33.01 32.24 3msp s GLN 12 CO -0.00 -0.65 1.06 -1.25 -2.12 0.00 0.00 175.29 172.32 3msp s PRO 13 N 2.00 -0.34 0.02 2.91 0.04 -1.26 -2.37 135.00 136.00 3msp s PRO 13 Ca 0.01 0.92 -0.05 0.00 0.04 0.00 0.00 61.00 61.91 3msp s PRO 13 Cb -0.17 -1.62 -0.01 0.00 0.04 0.00 0.00 34.50 32.74 3msp s PRO 13 CO -0.08 -3.36 1.09 0.77 0.04 0.00 0.00 177.00 175.46 3msp h SER 14 N -2.36 -0.32 0.00 6.66 0.02 -1.90 -3.41 113.55 112.24 3msp h SER 14 Ca -0.57 0.05 -0.15 0.00 -0.84 0.00 0.00 61.79 60.27 3msp h SER 14 Cb 1.32 0.14 -0.12 0.00 0.14 0.00 0.00 62.40 63.87 3msp h SER 14 CO 0.50 -0.05 -0.22 0.00 -1.14 0.00 0.00 176.83 175.92 3msp n GLN 15 N -3.24 1.04 -3.65 3.45 -0.00 -1.26 -4.50 117.38 109.23 3msp n GLN 15 Ca -0.00 -1.17 -0.03 0.00 -0.00 0.00 0.00 57.00 55.80 3msp n GLN 15 Cb 0.05 0.21 -0.05 0.00 -0.00 0.00 0.00 30.24 30.45 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 0.12 0.62 0.08 2.61 2.20 -1.26 -3.88 119.74 120.22 3msp s LYS 16 Ca 0.11 1.36 0.05 0.00 -0.36 0.00 0.00 55.97 57.13 3msp s LYS 16 Cb 0.34 0.60 -0.03 0.00 -1.51 0.00 0.00 37.83 37.23 3msp s LYS 16 CO -0.09 -0.18 -0.13 -1.50 -0.36 0.00 0.00 175.35 173.09 3msp s ILE 17 N 2.44 1.05 -0.29 5.43 2.07 -1.05 -4.72 121.20 126.12 3msp s ILE 17 Ca -0.07 -1.42 -0.03 0.00 -1.41 0.00 0.00 60.65 57.71 3msp s ILE 17 Cb -0.10 -1.16 0.10 0.00 0.13 0.00 0.00 42.46 41.44 3msp s ILE 17 CO -0.19 -0.34 0.12 0.54 -1.91 0.00 0.00 174.94 173.16 3msp s VAL 18 N -1.68 0.09 -0.26 4.00 0.11 -1.26 -1.43 120.40 119.98 3msp s VAL 18 Ca 0.00 -0.86 -0.34 0.00 -2.93 0.00 0.00 61.98 57.85 3msp s VAL 18 Cb -0.08 -1.09 -0.11 0.00 -1.53 0.00 0.00 36.38 33.57 3msp s VAL 18 CO 0.02 -0.71 2.09 0.49 -3.33 0.00 0.00 175.10 173.65 3msp n PHE 19 N 5.18 1.88 -2.79 1.54 3.01 0.18 -4.63 117.46 121.83 3msp n PHE 19 Ca -0.05 0.15 -0.41 0.00 1.01 0.00 0.00 57.45 58.15 3msp n PHE 19 Cb 0.42 -2.60 -0.04 0.00 -0.01 0.00 0.00 39.48 37.25 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 6.44 7.38 1.09 4.37 0.01 -1.26 -2.30 114.94 130.67 3msp s ASN 20 Ca 1.03 1.66 -0.21 0.00 -0.71 0.00 0.00 52.86 54.63 3msp s ASN 20 Cb -0.74 -2.55 0.03 0.00 0.41 0.00 0.00 41.25 38.40 3msp s ASN 20 CO 0.48 -0.12 -0.39 0.00 -1.51 0.00 0.00 177.10 175.57 3msp n ALA 21 N 3.20 -4.56 -1.66 0.60 0.00 -0.93 -4.84 120.51 112.31 3msp n ALA 21 Ca 0.02 -1.33 -0.29 0.00 0.00 0.00 0.00 53.44 51.84 3msp n ALA 21 Cb 0.50 -1.32 0.10 0.00 0.00 0.00 0.00 19.45 18.73 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 -3.08 1.82 -0.28 0.00 0.04 -1.26 -5.07 135.00 127.17 3msp s PRO 22 Ca 0.51 0.38 0.09 0.00 0.04 0.00 0.00 61.00 62.01 3msp s PRO 22 Cb -0.06 -1.91 0.47 0.00 0.04 0.00 0.00 34.50 33.04 3msp s PRO 22 CO 0.66 -1.75 1.37 0.66 0.04 0.00 0.00 177.00 177.97 3msp n TYR 23 N -3.47 0.98 0.07 0.56 4.01 -1.26 -4.57 117.16 113.48 3msp n TYR 23 Ca 0.07 -1.70 0.10 0.00 -0.16 0.00 0.00 57.90 56.21 3msp n TYR 23 Cb 0.58 -0.42 0.21 0.00 -0.31 0.00 0.00 39.34 39.40 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 -1.07 3.30 -2.76 7.72 -0.08 -1.26 -2.97 116.55 119.43 3msp n ASP 24 Ca 0.31 -1.94 -0.13 0.00 -1.51 0.00 0.00 54.79 51.52 3msp n ASP 24 Cb 0.90 -0.27 -0.02 0.00 2.34 0.00 0.00 41.12 44.06 3msp n ASP 24 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 3msp n ASP 25 N 1.23 -1.30 -4.46 1.67 8.00 -1.26 -4.89 116.55 115.54 3msp n ASP 25 Ca 0.17 -2.66 -0.43 0.00 0.71 0.00 0.00 54.79 52.58 3msp n ASP 25 Cb 0.54 2.38 -0.08 0.00 -0.02 0.00 0.00 41.12 43.94 3msp n ASP 25 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3msp s LYS 26 N -2.65 3.10 -0.12 -1.24 1.02 -1.26 -3.78 119.74 114.81 3msp s LYS 26 Ca 0.25 -0.86 -0.01 0.00 0.02 0.00 0.00 55.97 55.36 3msp s LYS 26 Cb -0.01 -4.03 -0.02 0.00 -0.52 0.00 0.00 37.83 33.24 3msp s LYS 26 CO 0.18 -1.00 -0.08 -1.01 -0.92 0.00 0.00 175.35 172.52 3msp s HIS 27 N 2.26 2.92 -0.12 3.18 3.76 -1.21 -4.91 115.29 121.18 3msp s HIS 27 Ca 0.12 -0.31 -0.03 0.00 -0.15 0.00 0.00 55.06 54.69 3msp s HIS 27 Cb -0.19 -1.84 -0.03 0.00 1.11 0.00 0.00 32.58 31.63 3msp s HIS 27 CO 0.12 0.02 -0.00 0.99 -0.85 0.00 0.00 174.74 175.02 3msp s THR 28 N 0.01 4.25 -0.18 1.30 2.01 -1.26 -2.49 115.64 119.27 3msp s THR 28 Ca -0.01 -0.25 -0.00 0.00 0.31 0.00 0.00 61.69 61.73 3msp s THR 28 Cb -0.14 -2.82 0.01 0.00 0.01 0.00 0.00 72.50 69.56 3msp s THR 28 CO 0.03 0.55 -0.15 -0.31 -0.69 0.00 0.00 174.62 174.06 3msp s TYR 29 N -0.36 2.82 0.55 4.92 1.51 -0.82 -4.92 117.35 121.05 3msp s TYR 29 Ca 0.07 -1.28 -0.19 0.00 -1.01 0.00 0.00 57.07 54.66 3msp s TYR 29 Cb -0.12 -1.95 -0.06 0.00 -0.11 0.00 0.00 41.96 39.72 3msp s TYR 29 CO 0.02 -0.64 1.11 -1.01 -1.11 0.00 0.00 175.55 173.92 3msp s HIS 30 N 1.18 2.75 0.08 2.71 3.76 -1.26 -2.50 115.29 122.00 3msp s HIS 30 Ca 0.02 1.55 0.03 0.00 -0.15 0.00 0.00 55.06 56.51 3msp s HIS 30 Cb -0.14 -3.22 -0.03 0.00 1.11 0.00 0.00 32.58 30.30 3msp s HIS 30 CO -0.06 -1.42 -0.10 0.42 -0.85 0.00 0.00 174.74 172.73 3msp s ILE 31 N -1.92 0.87 -0.07 0.60 1.01 -0.67 -4.92 121.20 116.11 3msp s ILE 31 Ca 0.70 -1.51 0.04 0.00 0.00 0.00 0.00 60.65 59.88 3msp s ILE 31 Cb -0.22 -1.21 -0.02 0.00 0.01 0.00 0.00 42.46 41.03 3msp s ILE 31 CO 0.28 -0.50 -0.20 -0.75 0.00 0.00 0.00 174.94 173.77 3msp s LYS 32 N -2.50 2.73 -0.11 2.79 2.20 -1.00 -2.16 119.74 121.69 3msp s LYS 32 Ca 0.02 -0.81 -0.04 0.00 -0.36 0.00 0.00 55.97 54.78 3msp s LYS 32 Cb -0.05 -2.32 0.06 0.00 -1.51 0.00 0.00 37.83 34.01 3msp s LYS 32 CO 0.00 0.40 0.22 0.42 -0.36 0.00 0.00 175.35 176.03 3msp s ILE 33 N -0.19 -0.32 0.18 5.43 1.01 -0.82 -1.85 121.20 124.65 3msp s ILE 33 Ca -0.02 0.29 0.10 0.00 0.00 0.00 0.00 60.65 61.03 3msp s ILE 33 Cb -0.13 -0.38 -0.04 0.00 0.01 0.00 0.00 42.46 41.92 3msp s ILE 33 CO 0.03 0.12 -0.20 -0.89 0.00 0.00 0.00 174.94 174.01 3msp s THR 34 N 2.23 2.61 -1.12 2.92 2.01 -0.86 0.20 115.64 123.63 3msp s THR 34 Ca 0.01 -1.86 -0.12 0.00 0.31 0.00 0.00 61.69 60.02 3msp s THR 34 Cb -0.12 -2.25 0.21 0.00 0.01 0.00 0.00 72.50 70.36 3msp s THR 34 CO -0.07 -0.07 1.23 0.21 -0.69 0.00 0.00 174.62 175.22 3msp s ASN 35 N -2.60 7.12 0.38 3.53 3.04 -1.00 -1.84 114.94 123.56 3msp s ASN 35 Ca 0.21 -3.14 0.27 0.00 0.04 0.00 0.00 52.86 50.23 3msp s ASN 35 Cb -0.09 -2.31 1.33 0.00 -1.54 0.00 0.00 41.25 38.64 3msp s ASN 35 CO 0.11 -0.57 1.81 0.00 -3.04 0.00 0.00 177.10 175.41 3msp h ALA 36 N 7.13 1.00 -3.00 1.71 0.00 -1.85 -2.25 119.26 122.00 3msp h ALA 36 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 3msp h ALA 36 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3msp h ALA 36 CO 1.11 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.77 3msp n GLY 37 N -0.77 -3.07 0.00 0.00 0.00 -1.19 -4.87 105.19 95.29 3msp n GLY 37 Ca -0.00 -1.02 0.02 0.00 0.00 0.00 0.00 46.02 45.01 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 0.00 -0.11 3.32 -0.02 0.00 -1.26 -4.73 105.19 102.39 3msp n GLY 38 Ca 0.00 -0.09 -0.17 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.19 1.35 1.02 1.61 0.52 -1.26 -4.67 118.95 115.33 3msp s ARG 39 Ca -0.01 -1.70 -0.17 0.00 -0.52 0.00 0.00 55.73 53.33 3msp s ARG 39 Cb 0.02 -0.46 0.02 0.00 0.52 0.00 0.00 34.95 35.05 3msp s ARG 39 CO 0.15 -0.17 -0.05 0.54 0.02 0.00 0.00 175.30 175.78 3msp n ARG 40 N -0.42 -0.71 -3.66 3.54 1.74 -1.26 -4.39 116.66 111.49 3msp n ARG 40 Ca -0.03 -0.18 -0.10 0.00 -0.77 0.00 0.00 57.85 56.77 3msp n ARG 40 Cb 0.65 -1.63 -0.08 0.00 -1.02 0.00 0.00 32.46 30.38 3msp n ARG 40 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 3msp s ILE 41 N -2.26 -0.01 -0.44 0.55 -4.36 -0.65 -3.31 121.20 110.73 3msp s ILE 41 Ca 0.53 0.03 -0.19 0.00 -0.26 0.00 0.00 60.65 60.75 3msp s ILE 41 Cb -0.15 -0.85 0.03 0.00 1.25 0.00 0.00 42.46 42.74 3msp s ILE 41 CO 0.69 0.01 0.56 -0.83 0.24 0.00 0.00 174.94 175.60 3msp s GLY 42 N 1.26 1.80 0.24 6.27 0.00 -0.80 -2.30 107.32 113.79 3msp s GLY 42 Ca -0.08 -1.40 0.04 0.00 0.00 0.00 0.00 44.72 43.29 3msp s GLY 42 CO -0.13 1.37 0.37 0.66 0.00 0.00 0.00 173.10 175.37 3msp s TRP 43 N 2.51 3.46 0.04 1.90 1.48 -0.26 -2.33 118.94 125.74 3msp s TRP 43 Ca 0.17 0.03 -0.05 0.00 -1.06 0.00 0.00 56.10 55.19 3msp s TRP 43 Cb -0.16 -1.61 -0.01 0.00 -1.16 0.00 0.00 33.47 30.53 3msp s TRP 43 CO 0.16 0.42 0.10 0.00 -4.06 0.00 0.00 176.95 173.57 3msp s ALA 44 N -1.98 -0.06 -0.09 2.67 0.00 0.40 -1.93 121.76 120.77 3msp s ALA 44 Ca 0.35 -0.56 0.03 0.00 0.00 0.00 0.00 51.96 51.77 3msp s ALA 44 Cb -0.09 0.26 -0.01 0.00 0.00 0.00 0.00 23.12 23.27 3msp s ALA 44 CO 0.29 -0.32 -0.19 0.42 0.00 0.00 0.00 175.76 175.96 3msp s ILE 45 N -2.66 2.52 0.13 0.00 -1.09 -0.46 -1.53 121.20 118.11 3msp s ILE 45 Ca -0.04 -0.87 0.10 0.00 -2.23 0.00 0.00 60.65 57.60 3msp s ILE 45 Cb -0.01 -1.99 -0.04 0.00 -1.58 0.00 0.00 42.46 38.84 3msp s ILE 45 CO -0.05 0.55 -0.24 -0.54 -1.23 0.00 0.00 174.94 173.44 3msp s LYS 46 N 0.10 1.31 0.03 2.79 -0.14 -0.81 -4.97 119.74 118.05 3msp s LYS 46 Ca -0.09 -1.31 -0.05 0.00 -1.36 0.00 0.00 55.97 53.16 3msp s LYS 46 Cb -0.15 -1.68 -0.01 0.00 -1.68 0.00 0.00 37.83 34.30 3msp s LYS 46 CO 0.06 0.39 0.08 0.95 -0.76 0.00 0.00 175.35 176.07 3msp s THR 47 N -1.23 0.13 0.21 2.17 -4.23 -1.26 -1.84 115.64 109.60 3msp s THR 47 Ca 0.12 -1.04 -0.10 0.00 -1.18 0.00 0.00 61.69 59.50 3msp s THR 47 Cb -0.09 -0.77 0.16 0.00 1.34 0.00 0.00 72.50 73.14 3msp s THR 47 CO 0.06 -0.57 1.86 0.71 -0.54 0.00 0.00 174.62 176.14 3msp h THR 48 N 3.85 1.21 -3.30 3.99 1.35 -1.89 -3.40 112.91 114.73 3msp h THR 48 Ca -0.32 -0.45 -0.52 0.00 -0.55 0.00 0.00 66.41 64.57 3msp h THR 48 Cb 1.19 0.11 -0.38 0.00 -1.73 0.00 0.00 68.15 67.33 3msp h THR 48 CO 0.48 0.22 -0.78 0.20 -0.25 0.00 0.00 175.52 175.39 3msp s ASN 49 N -5.98 2.62 -0.17 5.36 0.01 -1.26 -4.99 114.94 110.52 3msp s ASN 49 Ca -0.13 -0.59 0.09 0.00 -0.71 0.00 0.00 52.86 51.52 3msp s ASN 49 Cb 0.15 -0.75 0.56 0.00 0.41 0.00 0.00 41.25 41.63 3msp s ASN 49 CO 0.79 -0.22 1.38 0.23 -1.51 0.00 0.00 177.10 177.77 3msp n MET 50 N 4.97 3.59 -0.08 -0.60 2.81 -1.26 -3.22 117.12 123.33 3msp n MET 50 Ca -0.10 -2.17 -0.11 0.00 -1.81 0.00 0.00 57.70 53.51 3msp n MET 50 Cb 0.48 -2.02 -0.15 0.00 -0.71 0.00 0.00 33.22 30.82 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 0.37 0.67 -0.00 0.03 1.85 -1.26 -4.53 116.66 113.78 3msp n ARG 51 Ca 0.20 0.10 0.04 0.00 -1.00 0.00 0.00 57.85 57.19 3msp n ARG 51 Cb 0.93 -1.60 -0.06 0.00 -1.05 0.00 0.00 32.46 30.69 3msp n ARG 51 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 3msp n ARG 52 N -2.92 0.55 -4.37 2.89 1.85 -1.26 -4.99 116.66 108.43 3msp n ARG 52 Ca -0.31 -0.06 -0.34 0.00 -1.00 0.00 0.00 57.85 56.14 3msp n ARG 52 Cb 1.11 -1.15 -0.11 0.00 -1.05 0.00 0.00 32.46 31.26 3msp n ARG 52 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3msp s LEU 53 N -3.42 3.37 -0.21 2.89 1.43 -1.20 -3.11 118.68 118.44 3msp s LEU 53 Ca -0.02 -0.05 -0.04 0.00 -1.03 0.00 0.00 54.13 52.99 3msp s LEU 53 Cb 0.05 -1.80 0.08 0.00 0.03 0.00 0.00 46.19 44.54 3msp s LEU 53 CO 0.30 0.22 0.15 -0.44 0.23 0.00 0.00 176.35 176.81 3msp s SER 54 N 0.05 2.20 -0.22 2.29 0.01 -1.00 -4.51 113.70 112.52 3msp s SER 54 Ca 0.01 -0.61 -0.10 0.00 1.31 0.00 0.00 55.95 56.56 3msp s SER 54 Cb -0.13 -0.02 -0.05 0.00 0.21 0.00 0.00 66.02 66.03 3msp s SER 54 CO 0.02 -0.36 0.13 0.68 0.41 0.00 0.00 173.24 174.13 3msp s VAL 55 N 2.20 5.26 -0.05 3.43 -7.23 -1.26 -1.90 120.40 120.85 3msp s VAL 55 Ca 0.05 0.14 0.02 0.00 -1.81 0.00 0.00 61.98 60.38 3msp s VAL 55 Cb -0.16 -3.43 0.01 0.00 0.56 0.00 0.00 36.38 33.37 3msp s VAL 55 CO -0.16 0.39 -0.09 -1.81 -0.31 0.00 0.00 175.10 173.12 3msp s ASP 56 N 0.76 1.39 0.35 4.85 1.01 -0.95 -2.55 116.67 121.53 3msp s ASP 56 Ca 0.07 -0.22 -0.27 0.00 0.71 0.00 0.00 52.55 52.84 3msp s ASP 56 Cb -0.13 -0.61 -0.09 0.00 1.01 0.00 0.00 42.92 43.10 3msp s ASP 56 CO 0.02 0.01 1.12 -2.84 0.21 0.00 0.00 175.17 173.68 3msp s PRO 57 N 0.66 4.32 0.36 8.23 0.02 -1.26 -1.96 135.00 145.36 3msp s PRO 57 Ca -0.12 1.75 0.09 0.00 0.02 0.00 0.00 61.00 62.75 3msp s PRO 57 Cb -0.14 -2.85 0.68 0.00 0.02 0.00 0.00 34.50 32.21 3msp s PRO 57 CO 0.02 -0.06 1.84 -1.00 -0.33 0.00 0.00 177.00 177.47 3msp h PRO 58 N 3.08 0.19 0.00 5.54 0.13 -1.89 -3.46 132.00 135.58 3msp h PRO 58 Ca -0.48 -0.06 -0.28 0.00 -0.87 0.00 0.00 66.00 64.31 3msp h PRO 58 Cb 1.22 -0.02 -0.07 0.00 0.13 0.00 0.00 31.00 32.26 3msp h PRO 58 CO 0.64 0.44 -0.20 0.00 -0.23 0.00 0.00 178.00 178.65 3msp n GLY 60 N -0.49 -1.48 3.17 0.00 0.00 -0.82 -4.99 105.19 100.59 3msp n GLY 60 Ca 0.02 -1.15 -0.11 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.90 -0.06 0.14 1.61 0.11 -1.26 -1.10 120.40 116.94 3msp s VAL 61 Ca 0.00 0.12 0.08 0.00 -2.93 0.00 0.00 61.98 59.26 3msp s VAL 61 Cb 0.00 -0.51 -0.04 0.00 -1.53 0.00 0.00 36.38 34.30 3msp s VAL 61 CO 0.00 0.05 -0.19 -1.48 -3.33 0.00 0.00 175.10 170.15 3msp s LEU 62 N 1.40 2.39 0.58 2.54 2.34 -0.97 -4.91 118.68 122.05 3msp s LEU 62 Ca -0.09 -0.80 -0.02 0.00 0.06 0.00 0.00 54.13 53.28 3msp s LEU 62 Cb -0.09 -0.82 0.03 0.00 -0.56 0.00 0.00 46.19 44.74 3msp s LEU 62 CO -0.11 -0.01 0.84 1.51 -1.06 0.00 0.00 176.35 177.52 3msp s ASP 63 N -2.41 5.31 0.26 1.48 1.47 -1.26 -1.63 116.67 119.88 3msp s ASP 63 Ca 0.12 0.28 -0.30 0.00 1.18 0.00 0.00 52.55 53.83 3msp s ASP 63 Cb -0.07 -1.19 -0.11 0.00 -0.34 0.00 0.00 42.92 41.21 3msp s ASP 63 CO 0.06 -1.17 1.58 -2.84 0.68 0.00 0.00 175.17 173.48 3msp s PRO 64 N -4.89 4.16 -0.05 2.11 0.02 -1.26 -2.06 135.00 133.03 3msp s PRO 64 Ca 0.56 2.51 0.00 0.00 0.02 0.00 0.00 61.00 64.09 3msp s PRO 64 Cb -0.10 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.35 3msp s PRO 64 CO 0.41 -0.61 0.00 1.17 -0.33 0.00 0.00 177.00 177.64 3msp n LYS 65 N 2.71 -0.22 -4.38 5.54 4.81 -0.85 -4.98 118.16 120.79 3msp n LYS 65 Ca 0.10 0.17 -0.33 0.00 -0.87 0.00 0.00 58.31 57.37 3msp n LYS 65 Cb 0.38 -3.43 -0.10 0.00 0.02 0.00 0.00 35.03 31.90 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 -0.64 2.78 0.29 1.64 2.56 -0.87 -4.95 118.70 119.51 3msp s GLU 66 Ca 0.00 -0.58 0.04 0.00 0.00 0.00 0.00 54.97 54.43 3msp s GLU 66 Cb 0.00 -2.66 -0.03 0.00 2.00 0.00 0.00 34.13 33.45 3msp s GLU 66 CO 0.00 0.64 0.44 0.15 -0.56 0.00 0.00 175.26 175.94 3msp s LYS 67 N -1.29 3.37 0.00 4.30 1.02 -1.26 -2.39 119.74 123.50 3msp s LYS 67 Ca 0.17 -0.69 0.02 0.00 0.02 0.00 0.00 55.97 55.49 3msp s LYS 67 Cb -0.11 -2.80 -0.01 0.00 -0.52 0.00 0.00 37.83 34.38 3msp s LYS 67 CO 0.07 0.26 -0.06 0.08 -0.92 0.00 0.00 175.35 174.77 3msp s VAL 68 N -2.13 0.47 -0.20 3.17 1.01 0.13 -4.94 120.40 117.92 3msp s VAL 68 Ca 0.38 -0.41 -0.00 0.00 0.00 0.00 0.00 61.98 61.95 3msp s VAL 68 Cb -0.09 -0.43 0.02 0.00 0.00 0.00 0.00 36.38 35.87 3msp s VAL 68 CO 0.32 0.03 -0.15 -0.76 0.00 0.00 0.00 175.10 174.53 3msp s LEU 69 N -0.41 2.45 0.24 3.92 1.43 -1.26 -1.94 118.68 123.11 3msp s LEU 69 Ca -0.00 -0.67 0.09 0.00 -1.03 0.00 0.00 54.13 52.52 3msp s LEU 69 Cb -0.04 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.59 3msp s LEU 69 CO -0.00 -0.03 -0.01 -0.04 0.23 0.00 0.00 176.35 176.51 3msp s MET 70 N 1.32 2.31 -0.30 1.70 -1.94 -0.92 -4.73 119.30 116.74 3msp s MET 70 Ca 0.04 -1.32 0.01 0.00 -1.71 0.00 0.00 55.69 52.71 3msp s MET 70 Cb -0.14 -2.22 0.09 0.00 2.01 0.00 0.00 34.83 34.57 3msp s MET 70 CO -0.10 0.39 0.05 0.00 -0.01 0.00 0.00 175.02 175.35 3msp s ALA 71 N -2.12 2.07 -0.46 3.03 0.00 -0.83 -1.66 121.76 121.79 3msp s ALA 71 Ca 0.30 -1.88 -0.23 0.00 0.00 0.00 0.00 51.96 50.14 3msp s ALA 71 Cb -0.07 -1.69 0.03 0.00 0.00 0.00 0.00 23.12 21.38 3msp s ALA 71 CO 0.19 -1.57 0.81 0.54 0.00 0.00 0.00 175.76 175.74 3msp s VAL 72 N 1.34 4.61 -0.11 0.00 0.11 -1.04 -2.23 120.40 123.07 3msp s VAL 72 Ca 0.07 0.42 -0.19 0.00 -2.93 0.00 0.00 61.98 59.35 3msp s VAL 72 Cb -0.18 -4.36 -0.04 0.00 -1.53 0.00 0.00 36.38 30.27 3msp s VAL 72 CO -0.15 -0.78 0.50 -0.44 -3.33 0.00 0.00 175.10 170.91 3msp s SER 73 N 2.24 6.72 0.13 3.54 0.01 -0.80 -1.94 113.70 123.59 3msp s SER 73 Ca 0.30 0.85 0.08 0.00 1.31 0.00 0.00 55.95 58.50 3msp s SER 73 Cb -0.12 -2.30 -0.04 0.00 0.21 0.00 0.00 66.02 63.77 3msp s SER 73 CO 0.22 -0.02 -0.14 0.00 0.41 0.00 0.00 173.24 173.72 3msp s ASP 75 N -2.29 5.05 0.95 0.00 1.01 -1.18 -3.28 116.67 116.93 3msp s ASP 75 Ca 0.20 -0.29 -0.11 0.00 0.71 0.00 0.00 52.55 53.06 3msp s ASP 75 Cb -0.10 -1.18 0.14 0.00 1.01 0.00 0.00 42.92 42.79 3msp s ASP 75 CO 0.12 0.08 0.99 0.35 0.21 0.00 0.00 175.17 176.93 3msp n THR 76 N -0.18 0.00 -3.24 -1.27 -2.24 -1.25 -4.97 114.28 101.14 3msp n THR 76 Ca -0.09 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 3msp n THR 76 Cb 0.55 -0.93 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 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 -4.23 -0.18 -3.87 4.78 -1.74 -1.16 -5.04 117.46 106.02 3msp n PHE 77 Ca 0.10 0.00 -0.28 0.00 -0.56 0.00 0.00 57.45 56.71 3msp n PHE 77 Cb 0.53 0.00 -0.12 0.00 1.52 0.00 0.00 39.48 41.40 3msp n PHE 77 CO 0.00 0.00 0.00 -0.80 -0.56 0.00 0.00 176.76 175.40 3msp s ASN 78 N 0.31 4.42 0.64 5.98 0.01 -1.26 -4.87 114.94 120.17 3msp s ASN 78 Ca 0.00 -3.56 0.35 0.00 -0.71 0.00 0.00 52.86 48.94 3msp s ASN 78 Cb 0.00 -1.52 1.95 0.00 0.41 0.00 0.00 41.25 42.09 3msp s ASN 78 CO 0.00 -0.13 2.16 0.00 -1.51 0.00 0.00 177.10 177.62 3msp h ALA 79 N 5.72 1.37 -0.86 0.60 0.00 -1.93 -2.09 119.26 122.07 3msp h ALA 79 Ca 0.10 -0.00 0.19 0.00 0.00 0.00 0.00 54.91 55.19 3msp h ALA 79 Cb 0.80 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.48 3msp h ALA 79 CO 0.68 -0.18 0.38 0.00 0.00 0.00 0.00 179.25 180.12 3msp h ALA 80 N 1.75 1.32 -0.56 0.00 0.00 -1.97 -3.16 119.26 116.64 3msp h ALA 80 Ca 0.03 0.14 -0.27 0.00 0.00 0.00 0.00 54.91 54.81 3msp h ALA 80 Cb 0.33 0.11 -0.38 0.00 0.00 0.00 0.00 17.79 17.85 3msp h ALA 80 CO -0.00 -0.26 -1.08 0.25 0.00 0.00 0.00 179.25 178.16 3msp n THR 81 N -5.01 1.09 -0.13 0.00 -2.24 -0.87 -4.84 114.28 102.29 3msp n THR 81 Ca 0.19 -2.82 0.00 0.00 -2.27 0.00 0.00 64.05 59.15 3msp n THR 81 Cb 0.56 1.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.89 3msp n THR 81 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3msp n GLU 82 N -0.50 1.40 -1.38 -0.78 -0.58 -0.84 -5.04 120.64 112.92 3msp n GLU 82 Ca 0.06 -1.05 0.00 0.00 -0.42 0.00 0.00 57.16 55.75 3msp n GLU 82 Cb 0.81 -0.94 0.00 0.00 -0.57 0.00 0.00 31.44 30.74 3msp n GLU 82 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3msp n ASP 83 N -0.28 -7.59 -0.72 1.62 -0.08 -1.26 -4.85 116.55 103.37 3msp n ASP 83 Ca 0.00 1.08 0.05 0.00 -1.51 0.00 0.00 54.79 54.41 3msp n ASP 83 Cb 0.19 -4.03 0.20 0.00 2.34 0.00 0.00 41.12 39.83 3msp n ASP 83 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 3msp n LEU 84 N -0.91 3.39 -1.29 -2.67 4.77 -1.26 -4.53 117.00 114.50 3msp n LEU 84 Ca 0.00 -3.40 0.02 0.00 -0.03 0.00 0.00 56.01 52.60 3msp n LEU 84 Cb 0.00 -0.54 0.01 0.00 -2.33 0.00 0.00 43.42 40.56 3msp n LEU 84 CO 0.00 0.97 0.12 -3.20 -1.33 0.00 0.00 177.39 173.95 3msp n ASN 85 N -1.03 0.65 -0.06 -1.43 5.15 -1.26 -4.27 115.26 113.02 3msp n ASN 85 Ca 0.23 -1.98 -0.05 0.00 -0.60 0.00 0.00 54.58 52.18 3msp n ASN 85 Cb 0.84 -0.22 -0.10 0.00 -0.53 0.00 0.00 39.78 39.77 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 0.37 1.93 -4.69 1.20 5.03 -1.26 -4.96 115.26 112.89 3msp n ASN 86 Ca 0.02 0.00 -0.40 0.00 0.87 0.00 0.00 54.58 55.07 3msp n ASN 86 Cb 1.03 0.87 -0.05 0.00 -1.02 0.00 0.00 39.78 40.61 3msp n ASN 86 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3msp s ASP 87 N -4.45 6.89 -0.08 6.41 -1.08 -1.26 -4.84 116.67 118.25 3msp s ASP 87 Ca -0.06 1.08 -0.07 0.00 -0.52 0.00 0.00 52.55 52.97 3msp s ASP 87 Cb 0.04 -2.40 0.02 0.00 -1.46 0.00 0.00 42.92 39.12 3msp s ASP 87 CO 0.51 -0.21 0.21 0.00 0.52 0.00 0.00 175.17 176.20 3msp s ARG 88 N 1.37 0.24 -0.22 4.34 3.03 -1.26 -1.65 118.95 124.79 3msp s ARG 88 Ca 0.35 0.30 -0.06 0.00 2.03 0.00 0.00 55.73 58.35 3msp s ARG 88 Cb -0.17 0.11 -0.03 0.00 -1.03 0.00 0.00 34.95 33.84 3msp s ARG 88 CO 0.14 -0.03 0.03 0.42 -1.13 0.00 0.00 175.30 174.73 3msp s ILE 89 N 0.15 4.13 -0.24 4.99 1.01 -1.05 -3.58 121.20 126.61 3msp s ILE 89 Ca -0.00 -0.24 -0.05 0.00 0.00 0.00 0.00 60.65 60.36 3msp s ILE 89 Cb -0.02 -2.90 -0.01 0.00 0.01 0.00 0.00 42.46 39.55 3msp s ILE 89 CO -0.00 0.39 -0.00 -0.89 0.00 0.00 0.00 174.94 174.43 3msp s THR 90 N 1.30 3.60 0.47 2.92 2.01 -0.76 -0.41 115.64 124.76 3msp s THR 90 Ca 0.04 -0.52 -0.15 0.00 0.31 0.00 0.00 61.69 61.38 3msp s THR 90 Cb -0.15 -2.70 -0.08 0.00 0.01 0.00 0.00 72.50 69.58 3msp s THR 90 CO 0.02 0.33 0.91 -0.63 -0.69 0.00 0.00 174.62 174.56 3msp s ILE 91 N 1.49 4.61 -0.28 1.82 -1.09 -0.18 -1.92 121.20 125.65 3msp s ILE 91 Ca 0.05 1.04 0.00 0.00 -2.23 0.00 0.00 60.65 59.51 3msp s ILE 91 Cb -0.15 -3.71 0.14 0.00 -1.58 0.00 0.00 42.46 37.16 3msp s ILE 91 CO -0.01 -0.60 0.35 -1.61 -1.23 0.00 0.00 174.94 171.84 3msp s GLU 92 N -3.91 0.36 -0.03 2.79 2.02 -0.58 -1.91 118.70 117.43 3msp s GLU 92 Ca 0.56 0.07 0.06 0.00 0.02 0.00 0.00 54.97 55.69 3msp s GLU 92 Cb -0.10 -0.51 -0.01 0.00 0.10 0.00 0.00 34.13 33.61 3msp s GLU 92 CO 0.30 -0.97 -0.23 1.67 0.02 0.00 0.00 175.26 176.05 3msp s TRP 93 N 2.46 2.12 0.05 1.61 -2.14 -0.94 -0.45 118.94 121.65 3msp s TRP 93 Ca 0.10 -0.50 0.03 0.00 2.66 0.00 0.00 56.10 58.38 3msp s TRP 93 Cb -0.14 -1.38 -0.02 0.00 -3.10 0.00 0.00 33.47 28.83 3msp s TRP 93 CO -0.29 -0.11 -0.10 -0.08 -2.66 0.00 0.00 176.95 173.72 3msp s THR 94 N -0.34 0.70 0.49 0.66 -1.32 -0.99 -2.10 115.64 112.74 3msp s THR 94 Ca 0.03 -1.06 -0.24 0.00 -1.21 0.00 0.00 61.69 59.21 3msp s THR 94 Cb -0.11 -0.72 -0.07 0.00 -1.51 0.00 0.00 72.50 70.09 3msp s THR 94 CO 0.01 -0.28 1.41 0.20 -2.21 0.00 0.00 174.62 173.75 3msp s ASN 95 N -1.48 5.61 0.34 8.08 0.01 -1.26 -1.90 114.94 124.34 3msp s ASN 95 Ca -0.06 2.89 -0.14 0.00 -0.71 0.00 0.00 52.86 54.83 3msp s ASN 95 Cb -0.09 -2.65 -0.09 0.00 0.41 0.00 0.00 41.25 38.83 3msp s ASN 95 CO 0.01 -1.35 0.75 0.42 -1.51 0.00 0.00 177.10 175.41 3msp s THR 96 N -1.23 4.70 0.91 1.60 -4.23 -1.21 -4.86 115.64 111.32 3msp s THR 96 Ca 0.65 0.89 -0.11 0.00 -1.18 0.00 0.00 61.69 61.94 3msp s THR 96 Cb -0.43 -3.63 0.14 0.00 1.34 0.00 0.00 72.50 69.91 3msp s THR 96 CO 0.54 -0.25 1.09 -2.16 -0.54 0.00 0.00 174.62 173.30 3msp s PRO 97 N -3.15 1.15 -0.34 3.99 0.04 -1.26 -4.85 135.00 130.58 3msp s PRO 97 Ca 0.54 1.03 -0.40 0.00 0.04 0.00 0.00 61.00 62.20 3msp s PRO 97 Cb -0.10 -1.78 -0.15 0.00 0.04 0.00 0.00 34.50 32.50 3msp s PRO 97 CO 0.20 -2.37 1.89 -0.25 0.04 0.00 0.00 177.00 176.51 3msp n ASP 98 N -4.00 2.06 -3.84 6.66 8.00 -1.26 -0.84 116.55 123.32 3msp n ASP 98 Ca 0.08 0.88 -0.25 0.00 0.71 0.00 0.00 54.79 56.20 3msp n ASP 98 Cb 0.54 -1.12 0.02 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 5.15 -0.34 3.75 0.44 0.00 -1.26 -4.92 105.19 108.01 3msp n GLY 99 Ca 0.34 0.15 -0.36 0.00 0.00 0.00 0.00 46.02 46.15 3msp n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3msp s ALA 100 N -3.60 2.50 1.06 4.61 0.00 -0.02 -4.98 121.76 121.32 3msp s ALA 100 Ca 0.23 0.98 -0.13 0.00 0.00 0.00 0.00 51.96 53.04 3msp s ALA 100 Cb -0.12 -3.45 0.18 0.00 0.00 0.00 0.00 23.12 19.73 3msp s ALA 100 CO 0.84 -1.24 0.79 0.00 0.00 0.00 0.00 175.76 176.14 3msp n ALA 101 N -1.74 -2.47 -2.44 0.00 0.00 -1.26 -4.87 120.51 107.73 3msp n ALA 101 Ca 0.13 -0.93 -0.43 0.00 0.00 0.00 0.00 53.44 52.22 3msp n ALA 101 Cb 0.50 -1.94 0.00 0.00 0.00 0.00 0.00 19.45 18.01 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 -3.75 3.63 -3.65 0.00 5.02 -1.26 -4.85 118.16 113.29 3msp n LYS 102 Ca 0.06 -3.61 -0.03 0.00 -2.02 0.00 0.00 58.31 52.71 3msp n LYS 102 Cb 0.55 -2.92 -0.07 0.00 -0.02 0.00 0.00 35.03 32.57 3msp n LYS 102 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 3msp s GLN 103 N 0.39 0.08 0.04 1.97 -0.44 -1.26 -5.13 119.66 115.32 3msp s GLN 103 Ca 0.40 0.09 -0.30 0.00 -2.50 0.00 0.00 55.36 53.05 3msp s GLN 103 Cb 0.08 0.04 -0.09 0.00 -1.64 0.00 0.00 33.01 31.40 3msp s GLN 103 CO 0.01 -0.01 1.97 0.12 0.50 0.00 0.00 175.29 177.88 3msp s PHE 104 N -0.05 1.29 0.17 1.67 5.36 -1.26 -4.98 117.98 120.19 3msp s PHE 104 Ca 0.07 -0.47 0.04 0.00 -0.96 0.00 0.00 56.93 55.61 3msp s PHE 104 Cb -0.05 -4.26 -0.03 0.00 -0.34 0.00 0.00 43.02 38.34 3msp s PHE 104 CO -0.15 -5.61 0.27 0.50 -1.46 0.00 0.00 175.22 168.78 3msp s ARG 105 N 4.41 3.33 -0.04 10.12 6.06 -1.26 -5.03 118.95 136.54 3msp s ARG 105 Ca 0.89 -0.69 0.17 0.00 -2.50 0.00 0.00 55.73 53.59 3msp s ARG 105 Cb -0.43 -2.88 -0.21 0.00 0.06 0.00 0.00 34.95 31.49 3msp s ARG 105 CO 0.42 0.49 0.56 -2.13 -2.50 0.00 0.00 175.30 172.14 3msp n ARG 106 N -0.72 0.64 0.25 5.12 0.63 -1.26 -4.05 116.66 117.28 3msp n ARG 106 Ca -0.08 0.13 0.17 0.00 -0.92 0.00 0.00 57.85 57.16 3msp n ARG 106 Cb 0.55 -1.70 0.81 0.00 0.45 0.00 0.00 32.46 32.57 3msp n ARG 106 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 3msp h GLU 107 N 0.00 0.00 0.00 -0.14 4.11 -2.00 -2.39 114.58 114.17 3msp h GLU 107 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.16 3msp h GLU 107 Cb 1.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.04 3msp h GLU 107 CO 0.04 0.00 0.00 -1.49 0.07 0.00 0.00 179.01 177.63 3msp h TRP 108 N 0.00 0.00 -1.43 2.06 6.55 -1.99 -2.82 115.95 118.32 3msp h TRP 108 Ca 0.00 0.00 -0.53 0.00 0.95 0.00 0.00 58.89 59.31 3msp h TRP 108 Cb 0.24 0.00 -0.41 0.00 -0.86 0.00 0.00 29.16 28.12 3msp h TRP 108 CO 0.00 0.00 -0.86 1.19 -1.05 0.00 0.00 178.44 177.72 3msp n PHE 109 N -2.49 2.79 -1.91 0.49 3.01 -0.90 -4.73 117.46 113.72 3msp n PHE 109 Ca -0.01 -3.09 0.04 0.00 1.01 0.00 0.00 57.45 55.40 3msp n PHE 109 Cb 0.10 -0.19 0.07 0.00 -0.01 0.00 0.00 39.48 39.45 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 -0.34 0.50 -2.32 -1.08 10.64 -1.06 -5.09 117.38 118.62 3msp n GLN 110 Ca 0.30 -1.97 -0.03 0.00 -1.83 0.00 0.00 57.00 53.47 3msp n GLN 110 Cb 0.69 -0.72 -0.01 0.00 -0.86 0.00 0.00 30.24 29.34 3msp n GLN 110 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3msp n GLY 111 N -0.30 3.97 3.77 2.61 0.00 -1.26 -5.12 105.19 108.85 3msp n GLY 111 Ca 0.08 -1.90 -0.32 0.00 0.00 0.00 0.00 46.02 43.88 3msp n GLY 111 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3msp s ASP 112 N -1.33 5.57 0.17 1.61 1.01 -1.26 -5.01 116.67 117.43 3msp s ASP 112 Ca 0.03 0.09 0.00 0.00 0.71 0.00 0.00 52.55 53.38 3msp s ASP 112 Cb 0.00 -1.56 0.00 0.00 1.01 0.00 0.00 42.92 42.37 3msp s ASP 112 CO 0.02 0.25 0.00 0.61 0.21 0.00 0.00 175.17 176.27 3msp n GLY 113 N 1.06 -1.64 1.45 0.21 0.00 -1.26 -5.04 105.19 99.98 3msp n GLY 113 Ca -0.12 -1.34 0.18 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.69 -3.27 -0.56 1.61 2.81 -1.26 -5.05 117.12 108.71 3msp n MET 114 Ca 0.00 2.62 0.00 0.00 -1.81 0.00 0.00 57.70 58.51 3msp n MET 114 Cb 0.33 -3.86 0.00 0.00 -0.71 0.00 0.00 33.22 28.98 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 -4.34 -1.82 -4.02 2.03 0.31 -1.26 -5.06 118.33 104.16 3msp n VAL 115 Ca -0.08 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 63.93 3msp n VAL 115 Cb 0.68 -2.02 -0.06 0.00 -0.91 0.00 0.00 33.84 31.53 3msp n VAL 115 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3msp s ARG 116 N -2.76 3.11 -0.01 5.55 3.52 -0.89 -4.98 118.95 122.49 3msp s ARG 116 Ca 0.00 -0.54 0.02 0.00 -0.13 0.00 0.00 55.73 55.08 3msp s ARG 116 Cb 0.00 -2.87 -0.00 0.00 -1.56 0.00 0.00 34.95 30.52 3msp s ARG 116 CO 0.00 0.61 -0.08 -0.98 -0.81 0.00 0.00 175.30 174.04 3msp s ARG 117 N -2.18 0.67 0.31 5.12 1.70 -1.26 -2.21 118.95 121.10 3msp s ARG 117 Ca 0.28 -0.28 0.06 0.00 -0.47 0.00 0.00 55.73 55.32 3msp s ARG 117 Cb -0.12 -0.65 -0.06 0.00 -0.57 0.00 0.00 34.95 33.54 3msp s ARG 117 CO 0.21 0.16 -0.02 0.15 -1.08 0.00 0.00 175.30 174.71 3msp s LYS 118 N -0.13 1.64 0.15 3.89 1.02 -0.80 -4.95 119.74 120.56 3msp s LYS 118 Ca 0.02 -1.87 0.10 0.00 0.02 0.00 0.00 55.97 54.25 3msp s LYS 118 Cb -0.04 -1.16 -0.04 0.00 -0.52 0.00 0.00 37.83 36.07 3msp s LYS 118 CO -0.00 -0.03 -0.24 -0.80 -0.92 0.00 0.00 175.35 173.36 3msp s ASN 119 N -3.49 3.11 -0.36 2.83 0.01 -1.26 -1.01 114.94 114.76 3msp s ASN 119 Ca 0.32 -0.79 0.01 0.00 -0.71 0.00 0.00 52.86 51.69 3msp s ASN 119 Cb 0.06 -0.21 0.15 0.00 0.41 0.00 0.00 41.25 41.66 3msp s ASN 119 CO 0.14 0.11 0.26 -0.76 -1.51 0.00 0.00 177.10 175.33 3msp s LEU 120 N -2.31 0.86 0.36 0.60 1.02 0.45 -4.79 118.68 114.87 3msp s LEU 120 Ca 0.15 -2.22 -0.26 0.00 0.02 0.00 0.00 54.13 51.82 3msp s LEU 120 Cb -0.09 -0.24 -0.12 0.00 0.02 0.00 0.00 46.19 45.76 3msp s LEU 120 CO 0.07 -0.28 1.05 -2.65 0.02 0.00 0.00 176.35 174.56 3msp n PRO 121 N 3.90 1.47 -4.39 1.29 -0.02 -1.25 -2.51 135.00 133.49 3msp n PRO 121 Ca 0.14 0.52 -0.35 0.00 -2.02 0.00 0.00 63.50 61.80 3msp n PRO 121 Cb 0.40 -2.01 -0.10 0.00 -0.02 0.00 0.00 33.50 31.77 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 -1.17 4.23 0.14 4.25 -1.09 -0.66 -2.54 121.20 124.35 3msp s ILE 122 Ca 0.60 -0.27 0.04 0.00 -2.23 0.00 0.00 60.65 58.79 3msp s ILE 122 Cb -0.61 -2.78 -0.04 0.00 -1.58 0.00 0.00 42.46 37.44 3msp s ILE 122 CO 0.59 0.59 -0.10 -1.61 -1.23 0.00 0.00 174.94 173.17 3msp s GLU 123 N -0.68 1.03 -0.22 2.79 0.41 -0.51 -4.30 118.70 117.22 3msp s GLU 123 Ca 0.11 -1.41 0.01 0.00 -0.41 0.00 0.00 54.97 53.28 3msp s GLU 123 Cb -0.12 -0.63 0.05 0.00 -1.78 0.00 0.00 34.13 31.65 3msp s GLU 123 CO 0.02 0.08 -0.11 0.71 -0.49 0.00 0.00 175.26 175.48 3msp s TYR 124 N -3.16 2.70 -0.86 1.61 2.02 -1.26 0.50 117.35 118.90 3msp s TYR 124 Ca 0.15 -1.84 -0.16 0.00 -0.37 0.00 0.00 57.07 54.84 3msp s TYR 124 Cb 0.02 -1.74 0.17 0.00 -0.40 0.00 0.00 41.96 40.01 3msp s TYR 124 CO 0.01 -0.80 0.92 1.21 -1.57 0.00 0.00 175.55 175.32 3msp s ASN 125 N 1.30 6.67 0.00 2.29 2.47 -0.97 -4.99 114.94 121.70 3msp s ASN 125 Ca -0.04 -2.34 0.18 0.00 0.42 0.00 0.00 52.86 51.08 3msp s ASN 125 Cb -0.17 -2.30 1.09 0.00 -1.45 0.00 0.00 41.25 38.42 3msp s ASN 125 CO -0.07 -0.82 1.49 0.18 -3.72 0.00 0.00 177.10 174.16