#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3msp s GLN 2 N 0.00 0.19 0.40 0.00 -1.52 -1.26 -5.10 119.66 112.36 3msp s GLN 2 Ca 0.00 0.16 0.00 0.00 -1.95 0.00 0.00 55.36 53.57 3msp s GLN 2 Cb 0.00 -0.49 0.00 0.00 -0.22 0.00 0.00 33.01 32.30 3msp s GLN 2 CO 0.00 -0.20 0.00 0.43 -0.25 0.00 0.00 175.29 175.27 3msp n SER 3 N 4.47 -4.51 -4.71 5.90 7.64 -1.26 -4.92 113.62 116.24 3msp n SER 3 Ca -0.20 0.72 -0.28 0.00 1.01 0.00 0.00 58.87 60.12 3msp n SER 3 Cb 0.50 -2.03 -0.07 0.00 -1.01 0.00 0.00 64.21 61.60 3msp n SER 3 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3msp s VAL 4 N -1.41 4.04 0.73 0.44 -7.23 -1.26 -5.12 120.40 110.59 3msp s VAL 4 Ca 0.00 -1.18 -0.12 0.00 -1.81 0.00 0.00 61.98 58.88 3msp s VAL 4 Cb 0.00 -3.00 0.03 0.00 0.56 0.00 0.00 36.38 33.97 3msp s VAL 4 CO 0.00 -0.03 1.09 -2.16 -0.31 0.00 0.00 175.10 173.69 3msp s PRO 5 N -2.77 2.50 0.01 4.82 0.04 -1.26 -4.93 135.00 133.40 3msp s PRO 5 Ca 0.28 1.19 -0.32 0.00 0.04 0.00 0.00 61.00 62.19 3msp s PRO 5 Cb -0.10 -1.92 -0.10 0.00 0.04 0.00 0.00 34.50 32.41 3msp s PRO 5 CO 0.20 -1.46 1.92 -2.30 0.04 0.00 0.00 177.00 175.40 3msp n PRO 6 N -3.18 2.61 -1.67 0.56 -0.02 -1.26 -4.91 135.00 127.11 3msp n PRO 6 Ca 0.09 0.95 -0.41 0.00 -2.02 0.00 0.00 63.50 62.12 3msp n PRO 6 Cb 0.53 -2.86 0.02 0.00 -0.02 0.00 0.00 33.50 31.16 3msp n PRO 6 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3msp n GLY 7 N 4.44 0.29 3.62 -1.23 0.00 -1.26 -4.84 105.19 106.21 3msp n GLY 7 Ca 0.21 0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.94 3msp n GLY 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3msp s ASP 8 N -0.67 5.93 0.34 1.61 1.01 -1.26 -4.39 116.67 119.25 3msp s ASP 8 Ca 0.63 2.09 -0.27 0.00 0.71 0.00 0.00 52.55 55.71 3msp s ASP 8 Cb -0.51 -2.52 -0.09 0.00 1.01 0.00 0.00 42.92 40.81 3msp s ASP 8 CO 0.56 -1.55 1.11 0.27 0.21 0.00 0.00 175.17 175.77 3msp s ILE 9 N 6.54 3.43 0.10 0.77 -4.36 -1.26 -4.03 121.20 122.40 3msp s ILE 9 Ca 0.92 1.29 -0.22 0.00 -0.26 0.00 0.00 60.65 62.37 3msp s ILE 9 Cb -0.35 -3.76 -0.07 0.00 1.25 0.00 0.00 42.46 39.53 3msp s ILE 9 CO 0.36 0.20 0.67 0.20 0.24 0.00 0.00 174.94 176.61 3msp s ASN 10 N -1.10 7.20 0.06 4.36 0.01 -0.88 -4.90 114.94 119.69 3msp s ASN 10 Ca 0.51 1.42 0.04 0.00 -0.71 0.00 0.00 52.86 54.12 3msp s ASN 10 Cb -0.29 -2.43 -0.03 0.00 0.41 0.00 0.00 41.25 38.91 3msp s ASN 10 CO 0.38 0.21 -0.11 0.42 -1.51 0.00 0.00 177.10 176.48 3msp s THR 11 N -0.96 0.86 -0.23 1.60 -4.23 -1.26 -1.49 115.64 109.93 3msp s THR 11 Ca 0.33 -1.17 -0.04 0.00 -1.18 0.00 0.00 61.69 59.63 3msp s THR 11 Cb -0.21 -0.86 0.09 0.00 1.34 0.00 0.00 72.50 72.86 3msp s THR 11 CO 0.22 -0.27 0.17 -1.10 -0.54 0.00 0.00 174.62 173.11 3msp s GLN 12 N -1.60 0.18 0.78 3.99 -1.52 -0.39 -1.81 119.66 119.29 3msp s GLN 12 Ca -0.05 -0.14 -0.14 0.00 -1.95 0.00 0.00 55.36 53.08 3msp s GLN 12 Cb -0.10 -1.26 0.07 0.00 -0.22 0.00 0.00 33.01 31.49 3msp s GLN 12 CO 0.01 -0.83 1.21 -1.25 -0.25 0.00 0.00 175.29 174.19 3msp s PRO 13 N 2.22 1.82 0.06 2.91 0.04 -1.26 -2.42 135.00 138.36 3msp s PRO 13 Ca 0.07 1.78 -0.18 0.00 0.04 0.00 0.00 61.00 62.71 3msp s PRO 13 Cb -0.16 -1.79 -0.14 0.00 0.04 0.00 0.00 34.50 32.46 3msp s PRO 13 CO -0.22 -2.08 1.33 0.66 0.04 0.00 0.00 177.00 176.73 3msp h SER 14 N -0.66 0.56 0.00 6.66 4.64 -1.75 -3.42 113.55 119.58 3msp h SER 14 Ca -0.47 -0.53 -0.15 0.00 -0.47 0.00 0.00 61.79 60.17 3msp h SER 14 Cb 1.30 -0.16 -0.12 0.00 -0.31 0.00 0.00 62.40 63.11 3msp h SER 14 CO 0.47 0.98 -0.20 1.67 -0.87 0.00 0.00 176.83 178.89 3msp n GLN 15 N -4.37 0.97 -3.15 4.77 7.27 -1.26 -4.75 117.38 116.85 3msp n GLN 15 Ca -0.06 -1.17 0.05 0.00 0.07 0.00 0.00 57.00 55.89 3msp n GLN 15 Cb 0.46 0.16 -0.01 0.00 2.41 0.00 0.00 30.24 33.27 3msp n GLN 15 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 3msp s LYS 16 N 0.12 0.41 0.01 3.69 2.20 -1.26 -4.34 119.74 120.57 3msp s LYS 16 Ca 0.11 0.69 0.04 0.00 -0.36 0.00 0.00 55.97 56.45 3msp s LYS 16 Cb 0.32 0.38 -0.01 0.00 -1.51 0.00 0.00 37.83 37.00 3msp s LYS 16 CO -0.08 -0.47 -0.13 -1.50 -0.36 0.00 0.00 175.35 172.81 3msp s ILE 17 N 2.90 0.99 -0.29 5.43 2.07 -1.02 -4.64 121.20 126.63 3msp s ILE 17 Ca 0.12 -0.74 -0.04 0.00 -1.41 0.00 0.00 60.65 58.59 3msp s ILE 17 Cb -0.12 -0.87 0.10 0.00 0.13 0.00 0.00 42.46 41.70 3msp s ILE 17 CO -0.17 0.13 0.13 0.54 -1.91 0.00 0.00 174.94 173.66 3msp s VAL 18 N -0.56 -0.03 -0.11 4.00 0.11 -1.26 -0.41 120.40 122.13 3msp s VAL 18 Ca 0.03 -0.82 -0.36 0.00 -2.93 0.00 0.00 61.98 57.89 3msp s VAL 18 Cb -0.06 -1.01 -0.13 0.00 -1.53 0.00 0.00 36.38 33.65 3msp s VAL 18 CO 0.00 -0.74 1.78 0.49 -3.33 0.00 0.00 175.10 173.30 3msp n PHE 19 N 5.18 2.20 -3.07 1.54 3.72 0.11 -4.70 117.46 122.44 3msp n PHE 19 Ca -0.05 0.22 -0.40 0.00 -0.05 0.00 0.00 57.45 57.17 3msp n PHE 19 Cb 0.42 -2.57 -0.05 0.00 -0.94 0.00 0.00 39.48 36.34 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 3.40 7.00 1.12 4.37 0.01 -1.26 -1.80 114.94 127.78 3msp s ASN 20 Ca 0.93 1.20 -0.15 0.00 -0.71 0.00 0.00 52.86 54.12 3msp s ASN 20 Cb -0.82 -2.41 0.18 0.00 0.41 0.00 0.00 41.25 38.61 3msp s ASN 20 CO 0.54 -0.07 0.48 0.00 -1.51 0.00 0.00 177.10 176.55 3msp n ALA 21 N 3.53 -3.41 -2.01 0.60 0.00 -0.94 -4.80 120.51 113.48 3msp n ALA 21 Ca -0.02 -1.16 -0.28 0.00 0.00 0.00 0.00 53.44 51.97 3msp n ALA 21 Cb 0.51 -1.76 0.03 0.00 0.00 0.00 0.00 19.45 18.23 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 -3.88 3.01 -0.31 0.00 0.04 -1.26 -5.06 135.00 127.53 3msp s PRO 22 Ca 0.62 0.24 0.10 0.00 0.04 0.00 0.00 61.00 61.99 3msp s PRO 22 Cb -0.18 -2.18 0.65 0.00 0.04 0.00 0.00 34.50 32.82 3msp s PRO 22 CO 0.66 -0.76 1.68 0.66 0.04 0.00 0.00 177.00 179.27 3msp n TYR 23 N -2.72 1.97 0.08 0.56 4.01 -1.26 -4.38 117.16 115.41 3msp n TYR 23 Ca 0.05 -1.32 0.11 0.00 -0.16 0.00 0.00 57.90 56.58 3msp n TYR 23 Cb 0.57 -0.61 0.28 0.00 -0.31 0.00 0.00 39.34 39.26 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 -0.58 3.48 -3.69 7.72 -0.08 -1.26 -2.35 116.55 119.79 3msp n ASP 24 Ca 0.38 -1.98 -0.16 0.00 -1.51 0.00 0.00 54.79 51.52 3msp n ASP 24 Cb 1.26 -0.36 -0.09 0.00 2.34 0.00 0.00 41.12 44.27 3msp n ASP 24 CO 0.00 0.00 0.00 1.51 0.12 0.00 0.00 177.20 178.83 3msp s ASP 25 N -1.20 1.01 -0.35 1.67 -4.77 -1.26 -4.90 116.67 106.86 3msp s ASP 25 Ca 0.43 -1.58 -0.11 0.00 -3.30 0.00 0.00 52.55 47.98 3msp s ASP 25 Cb 0.23 0.50 0.01 0.00 -1.09 0.00 0.00 42.92 42.57 3msp s ASP 25 CO 0.31 -0.99 0.21 -0.54 0.70 0.00 0.00 175.17 174.86 3msp s LYS 26 N -3.71 3.10 0.06 2.11 3.01 -1.26 -3.79 119.74 119.26 3msp s LYS 26 Ca 0.39 -0.90 0.06 0.00 -1.01 0.00 0.00 55.97 54.51 3msp s LYS 26 Cb 0.04 -3.73 -0.03 0.00 -1.01 0.00 0.00 37.83 33.11 3msp s LYS 26 CO 0.21 -0.58 -0.16 -3.38 0.51 0.00 0.00 175.35 171.95 3msp s HIS 27 N 1.62 1.35 -0.15 3.18 -3.43 -1.17 -5.01 115.29 111.68 3msp s HIS 27 Ca 0.04 -0.40 -0.01 0.00 -0.80 0.00 0.00 55.06 53.89 3msp s HIS 27 Cb -0.18 -0.78 -0.02 0.00 -1.43 0.00 0.00 32.58 30.17 3msp s HIS 27 CO 0.08 0.07 -0.11 0.95 -2.00 0.00 0.00 174.74 173.73 3msp s THR 28 N -1.03 3.20 -0.27 -5.38 -4.23 -1.26 -2.68 115.64 103.99 3msp s THR 28 Ca 0.02 -0.60 -0.18 0.00 -1.18 0.00 0.00 61.69 59.74 3msp s THR 28 Cb -0.09 -2.37 -0.03 0.00 1.34 0.00 0.00 72.50 71.36 3msp s THR 28 CO 0.02 0.51 0.52 -0.31 -0.54 0.00 0.00 174.62 174.82 3msp s TYR 29 N 0.50 3.26 0.08 3.99 1.51 -1.12 -4.78 117.35 120.79 3msp s TYR 29 Ca -0.08 0.63 -0.30 0.00 -1.01 0.00 0.00 57.07 56.31 3msp s TYR 29 Cb -0.15 -2.74 -0.05 0.00 -0.11 0.00 0.00 41.96 38.90 3msp s TYR 29 CO 0.04 -0.30 1.02 -1.01 -1.11 0.00 0.00 175.55 174.19 3msp s HIS 30 N 2.33 3.68 0.10 2.71 3.76 -1.26 -1.84 115.29 124.78 3msp s HIS 30 Ca 0.21 1.67 0.10 0.00 -0.15 0.00 0.00 55.06 56.89 3msp s HIS 30 Cb -0.16 -3.16 -0.04 0.00 1.11 0.00 0.00 32.58 30.34 3msp s HIS 30 CO 0.09 -0.20 -0.26 0.42 -0.85 0.00 0.00 174.74 173.95 3msp s ILE 31 N 0.41 2.14 -0.17 0.60 1.01 -0.84 -4.86 121.20 119.49 3msp s ILE 31 Ca 0.50 -1.63 -0.02 0.00 0.00 0.00 0.00 60.65 59.50 3msp s ILE 31 Cb -0.24 -1.88 -0.01 0.00 0.01 0.00 0.00 42.46 40.33 3msp s ILE 31 CO 0.30 0.14 -0.08 -0.75 0.00 0.00 0.00 174.94 174.55 3msp s LYS 32 N -1.83 3.42 0.13 2.79 2.47 -1.02 -2.09 119.74 123.62 3msp s LYS 32 Ca 0.12 -0.63 0.09 0.00 -1.56 0.00 0.00 55.97 53.99 3msp s LYS 32 Cb -0.10 -2.84 -0.04 0.00 -1.46 0.00 0.00 37.83 33.39 3msp s LYS 32 CO 0.05 0.04 -0.23 0.42 0.16 0.00 0.00 175.35 175.79 3msp s ILE 33 N 0.85 1.97 0.05 5.43 1.01 -1.04 -1.26 121.20 128.22 3msp s ILE 33 Ca -0.02 -1.73 -0.11 0.00 0.00 0.00 0.00 60.65 58.79 3msp s ILE 33 Cb -0.15 -1.81 0.01 0.00 0.01 0.00 0.00 42.46 40.52 3msp s ILE 33 CO 0.01 -0.07 0.23 -0.89 0.00 0.00 0.00 174.94 174.23 3msp s THR 34 N -1.35 0.10 -1.13 2.92 2.01 -0.56 -1.93 115.64 115.71 3msp s THR 34 Ca 0.12 -0.86 -0.08 0.00 0.31 0.00 0.00 61.69 61.19 3msp s THR 34 Cb -0.09 -0.98 0.27 0.00 0.01 0.00 0.00 72.50 71.71 3msp s THR 34 CO 0.06 -0.47 1.34 -3.20 -0.69 0.00 0.00 174.62 171.65 3msp n ASN 35 N 0.53 5.80 0.06 3.53 4.05 -0.85 -2.07 115.26 126.31 3msp n ASN 35 Ca -0.18 -3.18 0.21 0.00 0.45 0.00 0.00 54.58 51.88 3msp n ASN 35 Cb 0.60 -1.36 0.73 0.00 1.23 0.00 0.00 39.78 40.98 3msp n ASN 35 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3msp h ALA 36 N 6.18 2.20 -3.00 5.20 0.00 -1.86 -2.18 119.26 125.80 3msp h ALA 36 Ca 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3msp h ALA 36 Cb 0.76 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3msp h ALA 36 CO 1.20 -0.71 0.00 0.41 0.00 0.00 0.00 179.25 180.15 3msp n GLY 37 N -1.52 -2.02 0.00 0.00 0.00 -1.26 -4.88 105.19 95.51 3msp n GLY 37 Ca 0.09 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.99 3msp n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3msp n GLY 38 N 1.37 -0.27 3.27 -0.02 0.00 -1.26 -4.48 105.19 103.79 3msp n GLY 38 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.13 1.44 0.66 1.61 1.81 -1.26 -4.65 118.95 118.43 3msp s ARG 39 Ca 0.00 -1.80 -0.15 0.00 -1.72 0.00 0.00 55.73 52.07 3msp s ARG 39 Cb 0.00 0.10 0.00 0.00 -0.45 0.00 0.00 34.95 34.60 3msp s ARG 39 CO 0.00 -0.44 1.10 1.03 -0.68 0.00 0.00 175.30 176.31 3msp s ARG 40 N -3.92 2.80 -0.13 3.54 0.52 -1.26 -4.16 118.95 116.35 3msp s ARG 40 Ca 0.38 1.35 -0.09 0.00 -0.52 0.00 0.00 55.73 56.85 3msp s ARG 40 Cb 0.06 -1.95 0.04 0.00 0.52 0.00 0.00 34.95 33.62 3msp s ARG 40 CO 0.17 -1.24 0.34 0.96 0.02 0.00 0.00 175.30 175.54 3msp s ILE 41 N -2.40 -0.02 -0.39 1.52 -4.36 -0.95 -2.88 121.20 111.72 3msp s ILE 41 Ca 0.66 0.07 -0.22 0.00 -0.26 0.00 0.00 60.65 60.90 3msp s ILE 41 Cb -0.20 -0.49 0.01 0.00 1.25 0.00 0.00 42.46 43.03 3msp s ILE 41 CO 0.42 0.03 0.73 -0.83 0.24 0.00 0.00 174.94 175.53 3msp s GLY 42 N 0.83 1.68 0.26 6.27 0.00 -0.86 -2.37 107.32 113.13 3msp s GLY 42 Ca -0.05 -0.84 0.08 0.00 0.00 0.00 0.00 44.72 43.91 3msp s GLY 42 CO -0.06 1.66 0.13 0.66 0.00 0.00 0.00 173.10 175.49 3msp s TRP 43 N 3.00 2.94 -0.12 1.90 1.48 -0.80 -2.33 118.94 125.01 3msp s TRP 43 Ca 0.28 -0.17 -0.20 0.00 -1.06 0.00 0.00 56.10 54.96 3msp s TRP 43 Cb -0.13 -1.35 0.05 0.00 -1.16 0.00 0.00 33.47 30.87 3msp s TRP 43 CO 0.18 0.54 0.50 0.00 -4.06 0.00 0.00 176.95 174.10 3msp s ALA 44 N -2.22 -1.26 -0.05 2.67 0.00 -0.69 -2.12 121.76 118.09 3msp s ALA 44 Ca 0.33 1.14 0.04 0.00 0.00 0.00 0.00 51.96 53.47 3msp s ALA 44 Cb -0.07 -0.43 -0.02 0.00 0.00 0.00 0.00 23.12 22.59 3msp s ALA 44 CO 0.23 -0.27 -0.17 0.42 0.00 0.00 0.00 175.76 175.97 3msp s ILE 45 N -0.44 2.83 -0.03 0.00 -1.09 -0.73 -2.26 121.20 119.47 3msp s ILE 45 Ca -0.06 -0.81 -0.01 0.00 -2.23 0.00 0.00 60.65 57.55 3msp s ILE 45 Cb -0.03 -2.09 0.03 0.00 -1.58 0.00 0.00 42.46 38.79 3msp s ILE 45 CO 0.04 0.58 0.06 -1.59 -1.23 0.00 0.00 174.94 172.80 3msp s LYS 46 N -0.61 -0.01 0.06 2.79 -2.85 -0.99 -4.93 119.74 113.21 3msp s LYS 46 Ca 0.09 0.24 0.03 0.00 -1.00 0.00 0.00 55.97 55.33 3msp s LYS 46 Cb -0.11 -0.24 -0.04 0.00 -2.06 0.00 0.00 37.83 35.38 3msp s LYS 46 CO 0.01 -0.18 0.02 0.95 0.10 0.00 0.00 175.35 176.25 3msp s THR 47 N 1.15 4.18 0.56 3.79 -4.23 -1.26 -2.03 115.64 117.81 3msp s THR 47 Ca -0.09 -0.82 0.27 0.00 -1.18 0.00 0.00 61.69 59.88 3msp s THR 47 Cb -0.13 -2.96 0.39 0.00 1.34 0.00 0.00 72.50 71.14 3msp s THR 47 CO -0.04 0.20 1.98 0.71 -0.54 0.00 0.00 174.62 176.93 3msp h THR 48 N 3.00 0.55 -3.53 3.99 1.35 -1.84 -3.33 112.91 113.10 3msp h THR 48 Ca -0.48 0.00 -0.62 0.00 -0.55 0.00 0.00 66.41 64.76 3msp h THR 48 Cb 1.17 0.71 -0.39 0.00 -1.73 0.00 0.00 68.15 67.91 3msp h THR 48 CO 0.60 0.00 -0.76 0.20 -0.25 0.00 0.00 175.52 175.32 3msp s ASN 49 N -5.77 4.18 -0.30 5.36 0.02 -1.26 -4.97 114.94 112.20 3msp s ASN 49 Ca -0.05 -1.59 0.08 0.00 -1.02 0.00 0.00 52.86 50.28 3msp s ASN 49 Cb 0.17 -1.23 0.66 0.00 0.02 0.00 0.00 41.25 40.87 3msp s ASN 49 CO 0.63 -0.33 1.70 0.23 0.02 0.00 0.00 177.10 179.36 3msp n MET 50 N 4.59 3.29 -0.09 -0.60 2.81 -1.25 -3.23 117.12 122.64 3msp n MET 50 Ca -0.05 -2.71 -0.16 0.00 -1.81 0.00 0.00 57.70 52.97 3msp n MET 50 Cb 0.43 -2.11 -0.07 0.00 -0.71 0.00 0.00 33.22 30.76 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 -0.19 0.42 -0.11 0.03 1.74 -1.26 -4.79 116.66 112.49 3msp n ARG 51 Ca 0.38 0.14 -0.15 0.00 -0.77 0.00 0.00 57.85 57.45 3msp n ARG 51 Cb 1.31 -1.26 -0.10 0.00 -1.02 0.00 0.00 32.46 31.38 3msp n ARG 51 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3msp n ARG 52 N -3.40 0.55 -3.80 5.56 1.74 -1.26 -4.99 116.66 111.07 3msp n ARG 52 Ca -0.34 0.13 -0.31 0.00 -0.77 0.00 0.00 57.85 56.56 3msp n ARG 52 Cb 0.80 -1.44 -0.04 0.00 -1.02 0.00 0.00 32.46 30.75 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 -6.30 4.31 0.35 0.55 1.43 -1.20 -3.83 118.68 113.99 3msp s LEU 53 Ca -0.30 0.42 -0.10 0.00 -1.03 0.00 0.00 54.13 53.12 3msp s LEU 53 Cb 0.08 -3.13 0.02 0.00 0.03 0.00 0.00 46.19 43.19 3msp s LEU 53 CO 0.51 0.11 0.62 -0.44 0.23 0.00 0.00 176.35 177.38 3msp s SER 54 N -2.51 0.35 0.04 2.29 0.01 -0.91 -4.27 113.70 108.71 3msp s SER 54 Ca 0.38 -1.22 -0.10 0.00 1.31 0.00 0.00 55.95 56.32 3msp s SER 54 Cb -0.12 0.74 0.01 0.00 0.21 0.00 0.00 66.02 66.85 3msp s SER 54 CO 0.26 -1.44 0.20 -0.69 0.41 0.00 0.00 173.24 171.98 3msp s VAL 55 N -2.92 0.10 -0.28 3.43 1.01 -1.26 -1.02 120.40 119.46 3msp s VAL 55 Ca 0.22 -0.85 -0.15 0.00 0.00 0.00 0.00 61.98 61.19 3msp s VAL 55 Cb -0.03 -0.88 0.10 0.00 0.00 0.00 0.00 36.38 35.57 3msp s VAL 55 CO 0.14 -0.47 0.74 -1.81 0.00 0.00 0.00 175.10 173.71 3msp s ASP 56 N -2.03 -0.89 0.16 3.32 1.01 -0.74 -3.70 116.67 113.81 3msp s ASP 56 Ca -0.06 1.39 -0.30 0.00 0.71 0.00 0.00 52.55 54.29 3msp s ASP 56 Cb -0.01 1.46 -0.08 0.00 1.01 0.00 0.00 42.92 45.30 3msp s ASP 56 CO -0.03 -0.22 1.27 -2.84 0.21 0.00 0.00 175.17 173.57 3msp s PRO 57 N 1.74 4.41 0.17 8.23 0.02 -1.26 -1.43 135.00 146.89 3msp s PRO 57 Ca -0.09 1.97 -0.15 0.00 0.02 0.00 0.00 61.00 62.75 3msp s PRO 57 Cb -0.06 -3.24 0.13 0.00 0.02 0.00 0.00 34.50 31.35 3msp s PRO 57 CO -0.19 -0.24 1.73 -1.35 -0.33 0.00 0.00 177.00 176.62 3msp h PRO 58 N 5.77 0.23 -4.71 5.54 0.11 -1.94 -3.45 132.00 133.54 3msp h PRO 58 Ca -0.44 -0.01 -0.27 0.00 0.11 0.00 0.00 66.00 65.39 3msp h PRO 58 Cb 1.21 -0.05 -0.15 0.00 0.11 0.00 0.00 31.00 32.12 3msp h PRO 58 CO 0.78 0.15 -0.65 0.00 -0.21 0.00 0.00 178.00 178.08 3msp n GLY 60 N -0.24 0.52 2.76 0.00 0.00 -0.90 -4.99 105.19 102.34 3msp n GLY 60 Ca -0.05 -0.76 -0.19 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.04 0.10 0.25 1.61 0.11 -1.26 -1.91 120.40 117.26 3msp s VAL 61 Ca 0.00 0.20 0.06 0.00 -2.93 0.00 0.00 61.98 59.32 3msp s VAL 61 Cb 0.00 -0.26 -0.03 0.00 -1.53 0.00 0.00 36.38 34.56 3msp s VAL 61 CO 0.00 0.17 0.28 -0.76 -3.33 0.00 0.00 175.10 171.45 3msp s LEU 62 N 1.52 4.03 0.45 2.54 1.02 -1.00 -4.93 118.68 122.30 3msp s LEU 62 Ca -0.03 -0.12 0.07 0.00 0.02 0.00 0.00 54.13 54.07 3msp s LEU 62 Cb -0.13 -2.57 -0.02 0.00 0.02 0.00 0.00 46.19 43.49 3msp s LEU 62 CO -0.03 -0.07 0.30 -1.81 0.02 0.00 0.00 176.35 174.77 3msp s ASP 63 N -3.91 4.69 -0.07 2.29 1.11 -1.26 -2.25 116.67 117.26 3msp s ASP 63 Ca 0.34 -1.02 -0.29 0.00 0.18 0.00 0.00 52.55 51.76 3msp s ASP 63 Cb -0.08 -0.27 -0.07 0.00 1.07 0.00 0.00 42.92 43.57 3msp s ASP 63 CO 0.27 -0.73 2.03 -2.84 1.18 0.00 0.00 175.17 175.08 3msp s PRO 64 N -4.08 3.76 -0.96 8.23 0.02 -1.26 -1.58 135.00 139.14 3msp s PRO 64 Ca 0.41 2.35 0.00 0.00 0.02 0.00 0.00 61.00 63.78 3msp s PRO 64 Cb -0.00 -4.23 0.00 0.00 0.02 0.00 0.00 34.50 30.29 3msp s PRO 64 CO 0.24 -1.38 0.00 1.63 -0.33 0.00 0.00 177.00 177.16 3msp n LYS 65 N 7.97 -0.82 -4.03 5.54 5.02 -0.82 -4.99 118.16 126.03 3msp n LYS 65 Ca 0.23 0.60 -0.32 0.00 -2.02 0.00 0.00 58.31 56.81 3msp n LYS 65 Cb 0.43 -4.65 -0.06 0.00 -0.02 0.00 0.00 35.03 30.72 3msp n LYS 65 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3msp s GLU 66 N -4.13 3.10 -0.04 1.97 2.02 -0.61 -4.86 118.70 116.14 3msp s GLU 66 Ca 0.00 -0.55 0.06 0.00 0.02 0.00 0.00 54.97 54.50 3msp s GLU 66 Cb 0.00 -2.86 -0.01 0.00 0.10 0.00 0.00 34.13 31.36 3msp s GLU 66 CO 0.00 0.61 -0.22 -1.59 0.02 0.00 0.00 175.26 174.08 3msp s LYS 67 N -2.17 2.07 0.16 1.61 0.00 -1.26 -2.01 119.74 118.15 3msp s LYS 67 Ca 0.28 -0.78 0.08 0.00 0.00 0.00 0.00 55.97 55.55 3msp s LYS 67 Cb -0.12 -1.84 -0.04 0.00 0.00 0.00 0.00 37.83 35.83 3msp s LYS 67 CO 0.20 0.37 -0.17 0.54 0.00 0.00 0.00 175.35 176.29 3msp s VAL 68 N -0.22 1.73 -0.08 1.79 0.11 -0.82 -4.99 120.40 117.93 3msp s VAL 68 Ca 0.00 -1.89 -0.04 0.00 -2.93 0.00 0.00 61.98 57.13 3msp s VAL 68 Cb -0.11 -1.79 -0.04 0.00 -1.53 0.00 0.00 36.38 32.91 3msp s VAL 68 CO 0.02 -0.34 0.07 -0.76 -3.33 0.00 0.00 175.10 170.76 3msp s LEU 69 N -2.64 3.97 0.18 2.54 1.43 -1.26 -2.49 118.68 120.40 3msp s LEU 69 Ca 0.15 0.28 0.09 0.00 -1.03 0.00 0.00 54.13 53.61 3msp s LEU 69 Cb -0.05 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 3msp s LEU 69 CO 0.06 0.37 -0.19 -0.04 0.23 0.00 0.00 176.35 176.78 3msp s MET 70 N -1.12 1.33 -0.12 1.70 -1.94 -0.89 -4.63 119.30 113.64 3msp s MET 70 Ca 0.16 -1.46 0.00 0.00 -1.71 0.00 0.00 55.69 52.69 3msp s MET 70 Cb -0.12 -1.41 0.02 0.00 2.01 0.00 0.00 34.83 35.34 3msp s MET 70 CO 0.05 0.28 -0.11 0.00 -0.01 0.00 0.00 175.02 175.24 3msp s ALA 71 N -2.09 1.53 -0.58 3.03 0.00 -0.51 -1.98 121.76 121.15 3msp s ALA 71 Ca 0.18 -0.66 -0.18 0.00 0.00 0.00 0.00 51.96 51.29 3msp s ALA 71 Cb -0.06 -0.91 0.11 0.00 0.00 0.00 0.00 23.12 22.26 3msp s ALA 71 CO 0.08 -0.31 0.66 0.08 0.00 0.00 0.00 175.76 176.26 3msp s VAL 72 N 1.45 4.91 -0.10 0.00 1.01 -0.76 -1.79 120.40 125.12 3msp s VAL 72 Ca 0.02 -1.10 -0.29 0.00 0.00 0.00 0.00 61.98 60.60 3msp s VAL 72 Cb -0.13 -4.45 -0.05 0.00 0.00 0.00 0.00 36.38 31.74 3msp s VAL 72 CO -0.07 -1.06 1.75 -0.44 0.00 0.00 0.00 175.10 175.28 3msp s SER 73 N 3.61 6.44 -0.19 3.32 0.01 -0.18 -2.78 113.70 123.92 3msp s SER 73 Ca 0.10 2.11 0.01 0.00 1.31 0.00 0.00 55.95 59.48 3msp s SER 73 Cb -0.25 -2.53 0.04 0.00 0.21 0.00 0.00 66.02 63.48 3msp s SER 73 CO 0.06 -1.14 -0.13 0.00 0.41 0.00 0.00 173.24 172.44 3msp s ASP 75 N 1.36 6.43 1.10 0.00 1.11 -1.25 -3.05 116.67 122.37 3msp s ASP 75 Ca 0.00 0.47 -0.16 0.00 0.18 0.00 0.00 52.55 53.04 3msp s ASP 75 Cb -0.15 -2.04 0.13 0.00 1.07 0.00 0.00 42.92 41.93 3msp s ASP 75 CO -0.09 0.03 0.31 0.35 1.18 0.00 0.00 175.17 176.94 3msp n THR 76 N -0.20 0.00 -3.34 -1.27 -2.24 -1.25 -5.00 114.28 100.98 3msp n THR 76 Ca -0.04 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 3msp n THR 76 Cb 0.52 -0.70 0.00 0.00 -2.10 0.00 0.00 70.33 68.06 3msp n THR 76 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 3msp n PHE 77 N -4.40 -0.06 -3.74 4.78 -1.74 -0.99 -5.03 117.46 106.27 3msp n PHE 77 Ca 0.02 0.00 -0.30 0.00 -0.56 0.00 0.00 57.45 56.62 3msp n PHE 77 Cb 0.59 0.00 -0.15 0.00 1.52 0.00 0.00 39.48 41.44 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 0.61 4.00 0.47 5.98 0.01 -1.26 -4.82 114.94 119.94 3msp s ASN 78 Ca 0.00 -1.85 0.27 0.00 -0.71 0.00 0.00 52.86 50.57 3msp s ASN 78 Cb 0.00 -0.94 0.98 0.00 0.41 0.00 0.00 41.25 41.70 3msp s ASN 78 CO 0.00 -0.39 1.84 0.00 -1.51 0.00 0.00 177.10 177.05 3msp h ALA 79 N 7.81 1.00 -1.01 0.60 0.00 -1.97 -3.16 119.26 122.53 3msp h ALA 79 Ca -0.10 -0.14 0.24 0.00 0.00 0.00 0.00 54.91 54.91 3msp h ALA 79 Cb 1.00 -0.02 -0.11 0.00 0.00 0.00 0.00 17.79 18.65 3msp h ALA 79 CO 0.47 0.19 0.62 0.00 0.00 0.00 0.00 179.25 180.53 3msp h ALA 80 N 1.85 1.88 -1.07 0.00 0.00 -2.01 -2.46 119.26 117.45 3msp h ALA 80 Ca -0.00 0.10 -0.45 0.00 0.00 0.00 0.00 54.91 54.55 3msp h ALA 80 Cb 0.72 -0.01 -0.41 0.00 0.00 0.00 0.00 17.79 18.09 3msp h ALA 80 CO 0.02 -0.30 -0.96 0.25 0.00 0.00 0.00 179.25 178.25 3msp n THR 81 N -4.78 1.76 -3.92 0.00 -2.24 -1.20 -5.06 114.28 98.83 3msp n THR 81 Ca 0.25 -3.89 -0.10 0.00 -2.27 0.00 0.00 64.05 58.05 3msp n THR 81 Cb 0.73 -0.21 -0.10 0.00 -2.10 0.00 0.00 70.33 68.66 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 -3.44 0.48 0.48 -0.78 0.41 -0.93 -5.05 118.70 109.88 3msp s GLU 82 Ca 0.38 -0.58 -0.22 0.00 -0.41 0.00 0.00 54.97 54.14 3msp s GLU 82 Cb 0.41 0.19 -0.07 0.00 -1.78 0.00 0.00 34.13 32.88 3msp s GLU 82 CO -0.05 -0.11 1.12 0.16 -0.49 0.00 0.00 175.26 175.89 3msp s ASP 83 N -1.68 6.12 -0.11 -0.19 1.47 -1.26 -4.86 116.67 116.15 3msp s ASP 83 Ca -0.11 2.18 0.14 0.00 1.18 0.00 0.00 52.55 55.94 3msp s ASP 83 Cb -0.06 -2.59 0.29 0.00 -0.34 0.00 0.00 42.92 40.23 3msp s ASP 83 CO -0.01 -0.95 1.15 0.18 0.68 0.00 0.00 175.17 176.22 3msp n LEU 84 N -0.76 1.88 -1.30 2.11 4.77 -1.26 -4.69 117.00 117.74 3msp n LEU 84 Ca 0.09 -2.83 0.02 0.00 -0.03 0.00 0.00 56.01 53.26 3msp n LEU 84 Cb 0.50 -0.33 0.01 0.00 -2.33 0.00 0.00 43.42 41.26 3msp n LEU 84 CO 0.44 0.80 0.12 0.59 -1.33 0.00 0.00 177.39 178.02 3msp n ASN 85 N -0.86 0.66 0.00 -1.43 4.13 -1.26 -4.73 115.26 111.77 3msp n ASN 85 Ca 0.13 -1.98 0.00 0.00 1.68 0.00 0.00 54.58 54.41 3msp n ASN 85 Cb 0.73 -0.22 0.00 0.00 -1.54 0.00 0.00 39.78 38.74 3msp n ASN 85 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3msp n ASN 86 N 0.38 1.31 -4.49 6.41 3.02 -1.26 -5.02 115.26 115.61 3msp n ASN 86 Ca 0.02 -1.56 -0.35 0.00 -0.03 0.00 0.00 54.58 52.66 3msp n ASN 86 Cb 1.04 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 40.09 3msp n ASN 86 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3msp s ASP 87 N -0.56 5.13 -0.00 6.41 1.01 -1.26 -4.79 116.67 122.61 3msp s ASP 87 Ca 0.00 -0.14 -0.05 0.00 0.71 0.00 0.00 52.55 53.07 3msp s ASP 87 Cb 0.00 -1.90 -0.00 0.00 1.01 0.00 0.00 42.92 42.03 3msp s ASP 87 CO 0.00 0.05 0.09 -0.13 0.21 0.00 0.00 175.17 175.39 3msp s ARG 88 N 1.12 0.38 -0.28 8.23 0.52 -1.26 -2.12 118.95 125.53 3msp s ARG 88 Ca 0.04 -0.35 0.02 0.00 -0.52 0.00 0.00 55.73 54.91 3msp s ARG 88 Cb -0.14 0.15 0.06 0.00 0.52 0.00 0.00 34.95 35.54 3msp s ARG 88 CO 0.03 -0.08 -0.06 0.42 0.02 0.00 0.00 175.30 175.63 3msp s ILE 89 N -1.14 2.40 -0.25 1.52 1.01 -0.98 -2.98 121.20 120.78 3msp s ILE 89 Ca -0.12 -1.67 -0.17 0.00 0.00 0.00 0.00 60.65 58.68 3msp s ILE 89 Cb -0.07 -2.45 -0.03 0.00 0.01 0.00 0.00 42.46 39.92 3msp s ILE 89 CO 0.01 -0.13 0.49 -0.89 0.00 0.00 0.00 174.94 174.42 3msp s THR 90 N 1.12 5.09 -0.42 2.92 2.01 -0.86 -0.62 115.64 124.88 3msp s THR 90 Ca -0.06 0.84 -0.05 0.00 0.31 0.00 0.00 61.69 62.74 3msp s THR 90 Cb -0.20 -3.81 0.11 0.00 0.01 0.00 0.00 72.50 68.61 3msp s THR 90 CO -0.04 0.11 0.24 -0.63 -0.69 0.00 0.00 174.62 173.61 3msp s ILE 91 N 2.15 3.54 0.24 1.82 1.09 -0.39 -2.34 121.20 127.32 3msp s ILE 91 Ca 0.21 -1.97 0.02 0.00 -1.10 0.00 0.00 60.65 57.81 3msp s ILE 91 Cb -0.16 -3.39 -0.03 0.00 -1.06 0.00 0.00 42.46 37.82 3msp s ILE 91 CO 0.09 -0.70 0.41 -1.61 -0.10 0.00 0.00 174.94 173.02 3msp s GLU 92 N 1.20 3.47 -0.23 2.79 2.02 -0.96 -2.29 118.70 124.71 3msp s GLU 92 Ca 0.07 -0.51 -0.26 0.00 0.02 0.00 0.00 54.97 54.29 3msp s GLU 92 Cb -0.24 -2.83 0.09 0.00 0.10 0.00 0.00 34.13 31.26 3msp s GLU 92 CO -0.03 0.36 0.85 1.67 0.02 0.00 0.00 175.26 178.13 3msp s TRP 93 N -2.00 -0.62 -0.06 1.61 -2.14 -0.80 -1.71 118.94 113.22 3msp s TRP 93 Ca 0.37 1.42 -0.03 0.00 2.66 0.00 0.00 56.10 60.53 3msp s TRP 93 Cb -0.10 0.34 0.03 0.00 -3.10 0.00 0.00 33.47 30.64 3msp s TRP 93 CO 0.31 -0.36 0.13 -0.08 -2.66 0.00 0.00 176.95 174.29 3msp s THR 94 N -0.04 -0.04 0.46 0.66 -1.32 -0.98 -2.32 115.64 112.06 3msp s THR 94 Ca -0.01 0.16 -0.21 0.00 -1.21 0.00 0.00 61.69 60.42 3msp s THR 94 Cb -0.04 -0.21 -0.11 0.00 -1.51 0.00 0.00 72.50 70.63 3msp s THR 94 CO -0.00 0.07 0.61 -0.46 -2.21 0.00 0.00 174.62 172.63 3msp n ASN 95 N 4.05 -0.59 -4.82 8.08 0.23 -1.26 -2.02 115.26 118.93 3msp n ASN 95 Ca -0.25 0.88 -0.38 0.00 -0.53 0.00 0.00 54.58 54.31 3msp n ASN 95 Cb 0.52 -1.17 -0.06 0.00 -2.08 0.00 0.00 39.78 37.00 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 -1.50 4.81 0.96 5.53 -4.23 -1.14 -4.80 115.64 115.28 3msp s THR 96 Ca 0.65 1.07 -0.13 0.00 -1.18 0.00 0.00 61.69 62.10 3msp s THR 96 Cb -0.55 -3.83 0.04 0.00 1.34 0.00 0.00 72.50 69.49 3msp s THR 96 CO 0.57 0.50 0.36 -2.65 -0.54 0.00 0.00 174.62 172.86 3msp n PRO 97 N 1.56 -0.38 -1.64 3.99 -0.02 -1.26 -4.73 135.00 132.52 3msp n PRO 97 Ca -0.10 -0.07 -0.58 0.00 -2.02 0.00 0.00 63.50 60.72 3msp n PRO 97 Cb 0.51 -1.83 -0.08 0.00 -0.02 0.00 0.00 33.50 32.08 3msp n PRO 97 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3msp n ASP 98 N -1.27 2.03 -3.92 2.55 8.00 -1.26 -0.75 116.55 121.93 3msp n ASP 98 Ca 0.06 0.96 -0.25 0.00 0.71 0.00 0.00 54.79 56.27 3msp n ASP 98 Cb 0.54 -1.09 -0.01 0.00 -0.02 0.00 0.00 41.12 40.54 3msp n ASP 98 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3msp n GLY 99 N 4.82 -0.26 2.21 0.44 0.00 -1.26 -4.83 105.19 106.31 3msp n GLY 99 Ca 0.32 0.14 -0.19 0.00 0.00 0.00 0.00 46.02 46.29 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 -4.39 6.15 -1.27 4.61 0.00 0.07 -4.97 120.51 120.72 3msp n ALA 100 Ca -0.27 -2.34 0.15 0.00 0.00 0.00 0.00 53.44 50.98 3msp n ALA 100 Cb 0.67 -2.06 -0.07 0.00 0.00 0.00 0.00 19.45 17.99 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 1.38 -3.38 -3.13 0.00 0.00 -1.26 -4.50 120.51 109.62 3msp n ALA 101 Ca 0.42 0.66 -0.44 0.00 0.00 0.00 0.00 53.44 54.09 3msp n ALA 101 Cb 0.67 -1.33 0.01 0.00 0.00 0.00 0.00 19.45 18.80 3msp n ALA 101 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3msp n LYS 102 N -3.98 4.13 -3.58 0.00 4.81 -1.26 -4.94 118.16 113.34 3msp n LYS 102 Ca -0.05 -4.52 -0.09 0.00 -0.87 0.00 0.00 58.31 52.78 3msp n LYS 102 Cb 0.60 -2.52 -0.04 0.00 0.02 0.00 0.00 35.03 33.09 3msp n LYS 102 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 3msp s GLN 103 N -2.24 0.53 0.68 1.64 2.00 -1.26 -5.02 119.66 115.99 3msp s GLN 103 Ca 0.31 0.04 -0.16 0.00 -2.00 0.00 0.00 55.36 53.55 3msp s GLN 103 Cb -0.01 0.25 0.01 0.00 0.80 0.00 0.00 33.01 34.06 3msp s GLN 103 CO 0.04 -0.18 1.19 0.12 -0.50 0.00 0.00 175.29 175.96 3msp s PHE 104 N -1.50 2.23 0.01 1.67 5.36 -1.26 -4.90 117.98 119.59 3msp s PHE 104 Ca 0.02 1.57 -0.04 0.00 -0.96 0.00 0.00 56.93 57.51 3msp s PHE 104 Cb -0.01 -3.43 -0.01 0.00 -0.34 0.00 0.00 43.02 39.23 3msp s PHE 104 CO -0.02 -2.37 0.07 1.03 -1.46 0.00 0.00 175.22 172.47 3msp s ARG 105 N -3.78 0.43 -0.34 10.12 1.81 -1.26 -5.04 118.95 120.89 3msp s ARG 105 Ca 0.74 -0.50 0.09 0.00 -1.72 0.00 0.00 55.73 54.34 3msp s ARG 105 Cb -0.28 0.17 0.69 0.00 -0.45 0.00 0.00 34.95 35.07 3msp s ARG 105 CO 0.41 -0.09 1.77 -2.13 -0.68 0.00 0.00 175.30 174.58 3msp n ARG 106 N 1.46 3.14 -0.03 3.54 0.63 -1.26 -4.25 116.66 119.89 3msp n ARG 106 Ca -0.23 -3.07 -0.03 0.00 -0.92 0.00 0.00 57.85 53.60 3msp n ARG 106 Cb 0.55 -2.14 -0.05 0.00 0.45 0.00 0.00 32.46 31.28 3msp n ARG 106 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 3msp n GLU 107 N -0.51 2.87 0.26 -0.14 0.28 -1.26 -4.34 120.64 117.79 3msp n GLU 107 Ca 0.43 -0.01 0.10 0.00 -0.16 0.00 0.00 57.16 57.52 3msp n GLU 107 Cb 1.38 -1.16 0.68 0.00 1.43 0.00 0.00 31.44 33.76 3msp n GLU 107 CO 0.00 0.00 0.00 -1.49 -0.16 0.00 0.00 177.13 175.48 3msp h TRP 108 N 0.00 0.00 0.21 -1.84 6.55 -1.94 -2.07 115.95 116.85 3msp h TRP 108 Ca -0.17 0.00 -0.32 0.00 0.95 0.00 0.00 58.89 59.35 3msp h TRP 108 Cb 1.36 0.00 0.02 0.00 -0.86 0.00 0.00 29.16 29.68 3msp h TRP 108 CO 0.00 0.10 -1.53 0.74 -1.05 0.00 0.00 178.44 176.70 3msp h PHE 109 N 0.00 0.79 0.00 0.49 -1.00 -1.83 -3.30 116.94 112.09 3msp h PHE 109 Ca -0.00 -0.58 -0.01 0.00 2.81 0.00 0.00 57.97 60.19 3msp h PHE 109 Cb 0.20 -0.03 -0.00 0.00 3.61 0.00 0.00 35.95 39.73 3msp h PHE 109 CO 0.00 1.59 -0.06 1.96 -1.61 0.00 0.00 178.31 180.19 3msp h GLN 110 N 0.04 0.00 -7.01 1.51 1.08 -1.66 -3.43 115.11 105.63 3msp h GLN 110 Ca -0.29 0.00 -0.51 0.00 -1.45 0.00 0.00 58.65 56.40 3msp h GLN 110 Cb 2.06 0.00 0.07 0.00 -0.05 0.00 0.00 27.48 29.55 3msp h GLN 110 CO 0.20 0.06 0.48 0.20 -0.95 0.00 0.00 178.83 178.83 3msp s GLY 111 N -4.12 2.77 -0.36 3.46 0.00 -0.82 -4.98 107.32 103.28 3msp s GLY 111 Ca -0.05 0.94 -0.25 0.00 0.00 0.00 0.00 44.72 45.36 3msp s GLY 111 CO 0.66 1.39 0.90 0.99 0.00 0.00 0.00 173.10 177.03 3msp s ASP 112 N -1.39 6.66 0.00 1.64 1.01 -1.26 -4.86 116.67 118.47 3msp s ASP 112 Ca 0.65 0.55 0.00 0.00 0.71 0.00 0.00 52.55 54.46 3msp s ASP 112 Cb -0.29 -2.45 0.00 0.00 1.01 0.00 0.00 42.92 41.19 3msp s ASP 112 CO 0.34 -0.83 0.00 0.61 0.21 0.00 0.00 175.17 175.51 3msp n GLY 113 N 4.39 3.76 2.59 0.21 0.00 -1.26 -5.11 105.19 109.78 3msp n GLY 113 Ca 0.06 -1.42 -0.03 0.00 0.00 0.00 0.00 46.02 44.63 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 -0.01 -3.88 0.00 1.61 2.81 -1.26 -5.02 117.12 111.37 3msp n MET 114 Ca 0.00 2.93 0.00 0.00 -1.81 0.00 0.00 57.70 58.82 3msp n MET 114 Cb 0.00 -3.96 0.00 0.00 -0.71 0.00 0.00 33.22 28.55 3msp n MET 114 CO 0.00 0.00 0.00 1.55 1.51 0.00 0.00 175.97 179.03 3msp n VAL 115 N 1.92 0.00 -3.62 2.03 3.14 -1.26 -4.68 118.33 115.87 3msp n VAL 115 Ca -0.23 0.00 -0.22 0.00 -2.96 0.00 0.00 64.34 60.92 3msp n VAL 115 Cb 0.36 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 33.13 3msp n VAL 115 CO 0.00 0.00 0.00 -0.60 -6.46 0.00 0.00 176.83 169.77 3msp s ARG 116 N 0.00 3.43 -0.24 1.45 3.52 -0.98 -4.95 118.95 121.19 3msp s ARG 116 Ca 0.00 -0.55 -0.04 0.00 -0.13 0.00 0.00 55.73 55.01 3msp s ARG 116 Cb 0.00 -2.76 0.09 0.00 -1.56 0.00 0.00 34.95 30.72 3msp s ARG 116 CO 0.00 0.25 0.15 -0.98 -0.81 0.00 0.00 175.30 173.90 3msp s ARG 117 N -4.18 0.16 0.51 5.12 1.70 -1.26 -1.91 118.95 119.09 3msp s ARG 117 Ca 0.38 -0.25 -0.00 0.00 -0.47 0.00 0.00 55.73 55.39 3msp s ARG 117 Cb -0.09 -1.33 0.01 0.00 -0.57 0.00 0.00 34.95 32.97 3msp s ARG 117 CO 0.33 -0.86 0.74 0.15 -1.08 0.00 0.00 175.30 174.58 3msp s LYS 118 N 2.17 2.85 0.10 3.89 1.02 -0.97 -4.91 119.74 123.89 3msp s LYS 118 Ca 0.06 -0.52 0.06 0.00 0.02 0.00 0.00 55.97 55.60 3msp s LYS 118 Cb -0.16 -2.49 -0.03 0.00 -0.52 0.00 0.00 37.83 34.63 3msp s LYS 118 CO -0.24 -0.50 -0.16 -0.80 -0.92 0.00 0.00 175.35 172.73 3msp s ASN 119 N -4.30 2.06 -0.36 2.83 0.01 -1.26 -1.26 114.94 112.65 3msp s ASN 119 Ca 0.52 -0.73 0.00 0.00 -0.71 0.00 0.00 52.86 51.95 3msp s ASN 119 Cb -0.10 -0.08 0.13 0.00 0.41 0.00 0.00 41.25 41.60 3msp s ASN 119 CO 0.39 -0.07 0.19 -0.22 -1.51 0.00 0.00 177.10 175.88 3msp s LEU 120 N -2.13 1.74 0.20 0.60 2.96 0.21 -4.76 118.68 117.50 3msp s LEU 120 Ca 0.05 -2.11 -0.32 0.00 -0.22 0.00 0.00 54.13 51.53 3msp s LEU 120 Cb -0.08 -0.69 -0.14 0.00 0.50 0.00 0.00 46.19 45.78 3msp s LEU 120 CO 0.03 -0.33 1.43 -2.65 -1.32 0.00 0.00 176.35 173.51 3msp n PRO 121 N 4.18 1.95 -3.85 0.98 -0.02 -1.26 -2.31 135.00 134.66 3msp n PRO 121 Ca 0.06 0.70 -0.33 0.00 -2.02 0.00 0.00 63.50 61.90 3msp n PRO 121 Cb 0.38 -2.37 -0.05 0.00 -0.02 0.00 0.00 33.50 31.44 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 0.24 5.38 0.06 4.25 -1.09 -0.90 -2.44 121.20 126.70 3msp s ILE 122 Ca 0.72 -0.07 0.00 0.00 -2.23 0.00 0.00 60.65 59.08 3msp s ILE 122 Cb -0.69 -3.56 -0.04 0.00 -1.58 0.00 0.00 42.46 36.59 3msp s ILE 122 CO 0.46 0.31 -0.04 -1.61 -1.23 0.00 0.00 174.94 172.83 3msp s GLU 123 N -1.95 0.66 -0.04 2.79 2.02 0.45 -4.81 118.70 117.81 3msp s GLU 123 Ca 0.28 -1.18 0.06 0.00 0.02 0.00 0.00 54.97 54.15 3msp s GLU 123 Cb -0.13 0.03 -0.02 0.00 0.10 0.00 0.00 34.13 34.12 3msp s GLU 123 CO 0.19 -0.07 -0.24 0.71 0.02 0.00 0.00 175.26 175.87 3msp s TYR 124 N -3.48 2.43 -0.68 1.61 1.51 -1.26 0.04 117.35 117.52 3msp s TYR 124 Ca 0.06 -0.55 0.05 0.00 -1.01 0.00 0.00 57.07 55.62 3msp s TYR 124 Cb 0.05 -1.57 0.18 0.00 -0.11 0.00 0.00 41.96 40.51 3msp s TYR 124 CO -0.07 -0.11 0.52 -1.71 -1.11 0.00 0.00 175.55 173.07 3msp n ASN 125 N 2.70 2.89 0.00 2.29 5.15 -0.75 -4.95 115.26 122.59 3msp n ASN 125 Ca -0.17 -3.19 0.00 0.00 -0.60 0.00 0.00 54.58 50.62 3msp n ASN 125 Cb 0.52 -0.74 0.00 0.00 -0.53 0.00 0.00 39.78 39.03 3msp n ASN 125 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84