#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3msp n GLN 2 N 0.00 -2.16 -3.72 0.00 6.02 -1.26 -5.08 117.38 111.19 3msp n GLN 2 Ca 0.00 1.94 -0.13 0.00 -0.01 0.00 0.00 57.00 58.80 3msp n GLN 2 Cb 0.00 -4.47 -0.09 0.00 1.02 0.00 0.00 30.24 26.70 3msp n GLN 2 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 3msp s SER 3 N -1.76 -0.47 -0.13 1.08 0.01 -1.26 -5.15 113.70 106.02 3msp s SER 3 Ca 0.10 0.90 -0.02 0.00 1.31 0.00 0.00 55.95 58.24 3msp s SER 3 Cb -0.03 0.92 0.04 0.00 0.21 0.00 0.00 66.02 67.16 3msp s SER 3 CO 0.58 -0.17 0.02 0.68 0.41 0.00 0.00 173.24 174.76 3msp s VAL 4 N 0.18 0.40 0.96 3.43 -7.23 -1.26 -5.14 120.40 111.74 3msp s VAL 4 Ca -0.01 -0.18 -0.13 0.00 -1.81 0.00 0.00 61.98 59.86 3msp s VAL 4 Cb -0.03 -0.74 0.04 0.00 0.56 0.00 0.00 36.38 36.20 3msp s VAL 4 CO 0.01 0.03 0.38 -2.65 -0.31 0.00 0.00 175.10 172.56 3msp n PRO 5 N 5.12 -0.34 -2.32 4.82 -0.02 -1.26 -4.89 135.00 136.11 3msp n PRO 5 Ca -0.08 -0.06 -0.42 0.00 -2.02 0.00 0.00 63.50 60.92 3msp n PRO 5 Cb 0.49 -1.84 -0.03 0.00 -0.02 0.00 0.00 33.50 32.10 3msp n PRO 5 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3msp s PRO 6 N -3.62 4.28 0.34 0.52 0.04 -1.26 -4.98 135.00 130.32 3msp s PRO 6 Ca 0.57 1.82 -0.29 0.00 0.04 0.00 0.00 61.00 63.14 3msp s PRO 6 Cb -0.21 -3.67 -0.11 0.00 0.04 0.00 0.00 34.50 30.56 3msp s PRO 6 CO 0.68 -0.61 1.49 0.20 0.04 0.00 0.00 177.00 178.80 3msp s GLY 7 N 1.95 2.68 0.21 0.56 0.00 -1.26 -4.91 107.32 106.56 3msp s GLY 7 Ca 0.60 1.52 -0.32 0.00 0.00 0.00 0.00 44.72 46.52 3msp s GLY 7 CO 0.22 2.30 1.68 1.22 0.00 0.00 0.00 173.10 178.52 3msp n ASP 8 N 1.10 3.82 -4.62 1.64 9.92 -1.26 -4.65 116.55 122.50 3msp n ASP 8 Ca 0.03 1.08 -0.40 0.00 -0.53 0.00 0.00 54.79 54.97 3msp n ASP 8 Cb 0.39 -1.55 -0.08 0.00 -0.64 0.00 0.00 41.12 39.24 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 0.98 5.10 0.54 0.53 -4.36 -1.26 -3.00 121.20 119.72 3msp s ILE 9 Ca 0.74 0.80 -0.21 0.00 -0.26 0.00 0.00 60.65 61.72 3msp s ILE 9 Cb -0.53 -3.79 -0.06 0.00 1.25 0.00 0.00 42.46 39.32 3msp s ILE 9 CO 0.35 0.11 1.15 0.59 0.24 0.00 0.00 174.94 177.39 3msp n ASN 10 N 5.42 1.75 -4.06 4.36 5.03 -0.06 -4.76 115.26 122.95 3msp n ASN 10 Ca -0.05 0.94 -0.10 0.00 0.87 0.00 0.00 54.58 56.23 3msp n ASN 10 Cb 0.50 -1.47 -0.11 0.00 -1.02 0.00 0.00 39.78 37.69 3msp n ASN 10 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 3msp s THR 11 N -1.36 0.39 -0.21 3.41 -4.23 -1.26 -1.96 115.64 110.42 3msp s THR 11 Ca 0.71 -1.30 -0.04 0.00 -1.18 0.00 0.00 61.69 59.88 3msp s THR 11 Cb -0.45 -0.85 0.10 0.00 1.34 0.00 0.00 72.50 72.64 3msp s THR 11 CO 0.50 -0.61 0.22 -1.10 -0.54 0.00 0.00 174.62 173.09 3msp s GLN 12 N -2.34 0.19 1.03 3.99 -0.21 -0.31 -3.00 119.66 119.02 3msp s GLN 12 Ca -0.05 0.14 -0.12 0.00 0.02 0.00 0.00 55.36 55.35 3msp s GLN 12 Cb -0.04 -1.20 0.21 0.00 1.00 0.00 0.00 33.01 32.97 3msp s GLN 12 CO -0.03 -0.70 1.08 -1.25 -2.12 0.00 0.00 175.29 172.28 3msp s PRO 13 N 2.31 0.09 0.14 2.91 0.04 -1.26 -2.06 135.00 137.17 3msp s PRO 13 Ca 0.07 1.11 -0.32 0.00 0.04 0.00 0.00 61.00 61.90 3msp s PRO 13 Cb -0.16 -1.65 -0.09 0.00 0.04 0.00 0.00 34.50 32.64 3msp s PRO 13 CO -0.14 -3.12 1.55 1.03 0.04 0.00 0.00 177.00 176.35 3msp h SER 14 N -2.20 -1.86 0.00 6.66 0.87 -1.95 -3.40 113.55 111.66 3msp h SER 14 Ca -0.53 0.25 -0.11 0.00 -1.23 0.00 0.00 61.79 60.18 3msp h SER 14 Cb 1.30 0.78 -0.09 0.00 -0.44 0.00 0.00 62.40 63.95 3msp h SER 14 CO 0.48 -0.38 -0.06 0.00 -0.53 0.00 0.00 176.83 176.34 3msp n GLN 15 N -5.37 0.58 -3.65 2.24 10.64 -1.26 -4.51 117.38 116.06 3msp n GLN 15 Ca -0.02 -0.83 0.01 0.00 -1.83 0.00 0.00 57.00 54.33 3msp n GLN 15 Cb 0.33 0.09 -0.06 0.00 -0.86 0.00 0.00 30.24 29.74 3msp n GLN 15 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.06 173.64 3msp s LYS 16 N 0.08 0.06 0.09 2.61 -2.85 -1.26 -3.98 119.74 114.48 3msp s LYS 16 Ca 0.07 0.09 0.04 0.00 -1.00 0.00 0.00 55.97 55.17 3msp s LYS 16 Cb 0.19 0.02 -0.03 0.00 -2.06 0.00 0.00 37.83 35.94 3msp s LYS 16 CO -0.05 -0.01 -0.11 -1.50 0.10 0.00 0.00 175.35 173.78 3msp s ILE 17 N 0.80 1.00 -0.47 3.79 2.07 -1.05 -4.73 121.20 122.60 3msp s ILE 17 Ca -0.04 -1.55 0.04 0.00 -1.41 0.00 0.00 60.65 57.69 3msp s ILE 17 Cb -0.03 -1.27 0.12 0.00 0.13 0.00 0.00 42.46 41.41 3msp s ILE 17 CO -0.11 -0.46 0.21 -0.69 -1.91 0.00 0.00 174.94 171.98 3msp s VAL 18 N -2.10 2.43 -0.68 4.00 1.01 -1.26 -1.89 120.40 121.90 3msp s VAL 18 Ca 0.03 -3.05 -0.25 0.00 0.00 0.00 0.00 61.98 58.71 3msp s VAL 18 Cb -0.05 -2.71 -0.13 0.00 0.00 0.00 0.00 36.38 33.49 3msp s VAL 18 CO 0.01 -0.76 2.42 0.49 0.00 0.00 0.00 175.10 177.26 3msp n PHE 19 N 3.39 1.17 -2.35 5.22 3.01 0.99 -4.68 117.46 124.21 3msp n PHE 19 Ca 0.05 0.08 -0.41 0.00 1.01 0.00 0.00 57.45 58.18 3msp n PHE 19 Cb 0.34 -2.48 -0.04 0.00 -0.01 0.00 0.00 39.48 37.30 3msp n PHE 19 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 3msp s ASN 20 N 10.71 7.09 0.99 4.37 0.01 -1.26 -1.96 114.94 134.89 3msp s ASN 20 Ca 1.01 2.40 -0.15 0.00 -0.71 0.00 0.00 52.86 55.41 3msp s ASN 20 Cb -0.28 -2.63 0.19 0.00 0.41 0.00 0.00 41.25 38.94 3msp s ASN 20 CO 0.23 -0.29 1.22 0.00 -1.51 0.00 0.00 177.10 176.74 3msp s ALA 21 N -1.02 1.81 0.96 0.60 0.00 -0.82 -4.76 121.76 118.53 3msp s ALA 21 Ca 0.47 -0.93 -0.12 0.00 0.00 0.00 0.00 51.96 51.38 3msp s ALA 21 Cb -0.34 -2.88 0.17 0.00 0.00 0.00 0.00 23.12 20.06 3msp s ALA 21 CO 0.44 -2.58 1.09 -1.25 0.00 0.00 0.00 175.76 173.46 3msp s PRO 22 N -5.61 0.70 -0.57 0.00 0.04 -1.26 -5.06 135.00 123.24 3msp s PRO 22 Ca 0.70 0.90 0.02 0.00 0.04 0.00 0.00 61.00 62.65 3msp s PRO 22 Cb -0.08 -1.74 0.43 0.00 0.04 0.00 0.00 34.50 33.14 3msp s PRO 22 CO 0.53 -2.64 1.66 0.66 0.04 0.00 0.00 177.00 177.25 3msp n TYR 23 N -4.17 3.08 -0.15 0.56 4.01 -1.26 -4.44 117.16 114.79 3msp n TYR 23 Ca 0.07 -2.68 0.00 0.00 -0.16 0.00 0.00 57.90 55.13 3msp n TYR 23 Cb 0.55 -0.87 0.00 0.00 -0.31 0.00 0.00 39.34 38.70 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 -0.71 1.46 -4.04 7.72 8.00 -1.26 -2.63 116.55 125.09 3msp n ASP 24 Ca 0.52 -1.61 -0.18 0.00 0.71 0.00 0.00 54.79 54.23 3msp n ASP 24 Cb 0.65 0.00 -0.14 0.00 -0.02 0.00 0.00 41.12 41.61 3msp n ASP 24 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3msp s ASP 25 N -0.61 1.10 -0.14 -2.24 1.11 -1.26 -4.77 116.67 109.85 3msp s ASP 25 Ca 0.00 -0.25 -0.29 0.00 0.18 0.00 0.00 52.55 52.19 3msp s ASP 25 Cb 0.00 -0.09 -0.05 0.00 1.07 0.00 0.00 42.92 43.85 3msp s ASP 25 CO 0.00 0.06 1.82 -0.54 1.18 0.00 0.00 175.17 177.69 3msp s LYS 26 N -0.52 3.78 -0.35 8.23 1.02 -1.26 -4.70 119.74 125.94 3msp s LYS 26 Ca 0.01 2.01 -0.00 0.00 0.02 0.00 0.00 55.97 58.01 3msp s LYS 26 Cb -0.05 -4.13 0.09 0.00 -0.52 0.00 0.00 37.83 33.22 3msp s LYS 26 CO 0.00 -1.34 0.08 -1.01 -0.92 0.00 0.00 175.35 172.17 3msp s HIS 27 N 5.54 3.53 -0.64 3.18 3.76 -1.25 -4.95 115.29 124.48 3msp s HIS 27 Ca 0.81 -2.45 -0.25 0.00 -0.15 0.00 0.00 55.06 53.03 3msp s HIS 27 Cb -0.31 -2.76 0.05 0.00 1.11 0.00 0.00 32.58 30.66 3msp s HIS 27 CO 0.33 -0.92 1.06 0.99 -0.85 0.00 0.00 174.74 175.35 3msp s THR 28 N 1.10 4.17 -0.29 1.30 2.01 -1.26 -3.76 115.64 118.90 3msp s THR 28 Ca 0.04 0.16 -0.21 0.00 0.31 0.00 0.00 61.69 61.99 3msp s THR 28 Cb -0.21 -4.70 -0.01 0.00 0.01 0.00 0.00 72.50 67.59 3msp s THR 28 CO -0.05 -1.43 0.66 -0.31 -0.69 0.00 0.00 174.62 172.80 3msp s TYR 29 N 4.52 3.23 -0.00 4.92 2.02 -0.84 -4.80 117.35 126.39 3msp s TYR 29 Ca 0.30 0.68 -0.20 0.00 -0.37 0.00 0.00 57.07 57.48 3msp s TYR 29 Cb -0.12 -3.00 -0.05 0.00 -0.40 0.00 0.00 41.96 38.38 3msp s TYR 29 CO 0.16 -0.46 0.57 -1.01 -1.57 0.00 0.00 175.55 173.24 3msp s HIS 30 N 2.65 3.69 -0.08 2.71 3.76 -1.26 -0.69 115.29 126.07 3msp s HIS 30 Ca 0.27 1.17 0.05 0.00 -0.15 0.00 0.00 55.06 56.40 3msp s HIS 30 Cb -0.15 -2.57 -0.01 0.00 1.11 0.00 0.00 32.58 30.96 3msp s HIS 30 CO 0.11 0.38 -0.25 0.42 -0.85 0.00 0.00 174.74 174.56 3msp s ILE 31 N -0.28 2.06 -0.09 0.60 1.01 -0.56 -4.78 121.20 119.16 3msp s ILE 31 Ca 0.30 -1.05 -0.10 0.00 0.00 0.00 0.00 60.65 59.81 3msp s ILE 31 Cb -0.18 -1.76 -0.05 0.00 0.01 0.00 0.00 42.46 40.49 3msp s ILE 31 CO 0.17 0.57 0.22 -0.75 0.00 0.00 0.00 174.94 175.14 3msp s LYS 32 N 0.05 3.64 0.03 2.79 2.20 -0.87 -0.94 119.74 126.64 3msp s LYS 32 Ca -0.10 0.03 0.03 0.00 -0.36 0.00 0.00 55.97 55.57 3msp s LYS 32 Cb -0.16 -3.22 -0.02 0.00 -1.51 0.00 0.00 37.83 32.93 3msp s LYS 32 CO 0.06 0.71 -0.11 0.42 -0.36 0.00 0.00 175.35 176.08 3msp s ILE 33 N -0.92 0.81 0.06 5.43 1.01 -1.05 -1.16 121.20 125.37 3msp s ILE 33 Ca 0.17 -0.90 -0.13 0.00 0.00 0.00 0.00 60.65 59.79 3msp s ILE 33 Cb -0.13 -0.77 0.02 0.00 0.01 0.00 0.00 42.46 41.59 3msp s ILE 33 CO 0.06 -0.11 0.30 -0.89 0.00 0.00 0.00 174.94 174.31 3msp s THR 34 N -0.90 0.09 -0.40 2.92 2.01 -0.83 -1.46 115.64 117.07 3msp s THR 34 Ca -0.02 -0.74 -0.16 0.00 0.31 0.00 0.00 61.69 61.08 3msp s THR 34 Cb -0.08 -1.04 0.01 0.00 0.01 0.00 0.00 72.50 71.41 3msp s THR 34 CO 0.01 -0.41 0.38 0.21 -0.69 0.00 0.00 174.62 174.12 3msp s ASN 35 N -2.31 6.16 -0.13 3.53 2.47 -0.86 -0.88 114.94 122.93 3msp s ASN 35 Ca -0.02 -0.66 0.08 0.00 0.42 0.00 0.00 52.86 52.68 3msp s ASN 35 Cb 0.01 -2.20 0.47 0.00 -1.45 0.00 0.00 41.25 38.08 3msp s ASN 35 CO -0.06 -0.49 1.23 0.00 -3.72 0.00 0.00 177.10 174.06 3msp n ALA 36 N 5.42 3.26 -2.41 1.71 0.00 -1.16 -1.03 120.51 126.30 3msp n ALA 36 Ca -0.09 -1.09 0.00 0.00 0.00 0.00 0.00 53.44 52.26 3msp n ALA 36 Cb 0.48 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.86 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 0.41 3.26 2.63 0.00 0.00 -1.26 -4.76 105.19 105.47 3msp n GLY 37 Ca 0.16 -1.70 -0.09 0.00 0.00 0.00 0.00 46.02 44.39 3msp n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3msp n GLY 38 N 5.00 1.51 3.89 -0.02 0.00 -1.26 -4.37 105.19 109.93 3msp n GLY 38 Ca 0.00 -0.58 0.02 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.96 0.43 0.48 1.61 0.52 -1.26 -4.92 118.95 114.85 3msp s ARG 39 Ca 0.25 -0.27 -0.20 0.00 -0.52 0.00 0.00 55.73 55.00 3msp s ARG 39 Cb 0.39 0.13 -0.09 0.00 0.52 0.00 0.00 34.95 35.89 3msp s ARG 39 CO -0.05 -0.20 1.00 0.50 0.02 0.00 0.00 175.30 176.57 3msp s ARG 40 N -2.12 3.94 0.19 3.54 3.52 -1.26 -3.35 118.95 123.41 3msp s ARG 40 Ca 0.25 1.19 -0.08 0.00 -0.13 0.00 0.00 55.73 56.96 3msp s ARG 40 Cb 0.01 -2.13 -0.02 0.00 -1.56 0.00 0.00 34.95 31.25 3msp s ARG 40 CO -0.01 -0.29 0.29 0.96 -0.81 0.00 0.00 175.30 175.44 3msp s ILE 41 N -2.20 0.04 -0.24 4.11 -4.36 -0.89 -3.10 121.20 114.55 3msp s ILE 41 Ca 0.64 -1.56 -0.02 0.00 -0.26 0.00 0.00 60.65 59.45 3msp s ILE 41 Cb -0.12 -2.09 0.08 0.00 1.25 0.00 0.00 42.46 41.57 3msp s ILE 41 CO 0.21 -0.17 0.05 -0.83 0.24 0.00 0.00 174.94 174.44 3msp s GLY 42 N -3.03 0.91 0.26 6.27 0.00 -0.61 -1.38 107.32 109.74 3msp s GLY 42 Ca 0.24 -1.14 0.07 0.00 0.00 0.00 0.00 44.72 43.88 3msp s GLY 42 CO 0.05 1.45 0.24 0.66 0.00 0.00 0.00 173.10 175.50 3msp s TRP 43 N 1.72 3.17 -0.18 1.90 1.48 -0.82 -2.33 118.94 123.89 3msp s TRP 43 Ca 0.03 -0.10 -0.24 0.00 -1.06 0.00 0.00 56.10 54.72 3msp s TRP 43 Cb -0.17 -1.48 0.06 0.00 -1.16 0.00 0.00 33.47 30.72 3msp s TRP 43 CO -0.15 0.47 0.62 0.00 -4.06 0.00 0.00 176.95 173.84 3msp s ALA 44 N -2.11 -1.56 0.15 2.67 0.00 -0.41 -2.14 121.76 118.36 3msp s ALA 44 Ca 0.34 1.58 0.02 0.00 0.00 0.00 0.00 51.96 53.89 3msp s ALA 44 Cb -0.08 -0.71 -0.04 0.00 0.00 0.00 0.00 23.12 22.29 3msp s ALA 44 CO 0.26 -0.31 0.29 0.42 0.00 0.00 0.00 175.76 176.42 3msp s ILE 45 N -0.15 5.31 -0.14 0.00 -1.09 -0.88 -2.23 121.20 122.02 3msp s ILE 45 Ca -0.04 -0.59 -0.09 0.00 -2.23 0.00 0.00 60.65 57.71 3msp s ILE 45 Cb -0.03 -3.73 0.05 0.00 -1.58 0.00 0.00 42.46 37.17 3msp s ILE 45 CO 0.03 -0.08 0.34 -0.54 -1.23 0.00 0.00 174.94 173.47 3msp s LYS 46 N -3.16 0.33 0.12 2.79 -0.14 -0.35 -4.96 119.74 114.38 3msp s LYS 46 Ca 0.35 0.64 0.10 0.00 -1.36 0.00 0.00 55.97 55.71 3msp s LYS 46 Cb -0.11 -0.01 -0.04 0.00 -1.68 0.00 0.00 37.83 35.99 3msp s LYS 46 CO 0.28 -0.14 -0.25 0.95 -0.76 0.00 0.00 175.35 175.43 3msp s THR 47 N 1.10 2.10 0.47 2.17 -4.23 -1.26 -0.67 115.64 115.32 3msp s THR 47 Ca -0.08 -1.68 0.13 0.00 -1.18 0.00 0.00 61.69 58.89 3msp s THR 47 Cb -0.08 -1.87 0.29 0.00 1.34 0.00 0.00 72.50 72.19 3msp s THR 47 CO -0.09 0.06 2.07 0.71 -0.54 0.00 0.00 174.62 176.84 3msp h THR 48 N 3.95 0.99 -3.49 3.99 1.35 -1.84 -3.37 112.91 114.50 3msp h THR 48 Ca -0.49 -0.09 -0.58 0.00 -0.55 0.00 0.00 66.41 64.69 3msp h THR 48 Cb 1.17 0.69 -0.39 0.00 -1.73 0.00 0.00 68.15 67.89 3msp h THR 48 CO 0.39 0.05 -0.78 0.20 -0.25 0.00 0.00 175.52 175.14 3msp s ASN 49 N -6.69 3.56 -0.29 5.36 -0.87 -1.26 -4.98 114.94 109.77 3msp s ASN 49 Ca -0.07 -1.10 0.08 0.00 -1.57 0.00 0.00 52.86 50.20 3msp s ASN 49 Cb 0.18 -0.97 0.63 0.00 -0.02 0.00 0.00 41.25 41.07 3msp s ASN 49 CO 0.71 -0.27 1.66 0.23 -2.57 0.00 0.00 177.10 176.86 3msp n MET 50 N 4.80 3.20 -0.04 -0.60 2.81 -1.26 -3.47 117.12 122.56 3msp n MET 50 Ca -0.10 -2.58 -0.09 0.00 -1.81 0.00 0.00 57.70 53.12 3msp n MET 50 Cb 0.45 -2.07 -0.03 0.00 -0.71 0.00 0.00 33.22 30.86 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 -0.16 0.26 0.05 0.03 1.74 -1.26 -4.74 116.66 112.59 3msp n ARG 51 Ca 0.36 0.11 -0.04 0.00 -0.77 0.00 0.00 57.85 57.51 3msp n ARG 51 Cb 1.26 -0.95 -0.09 0.00 -1.02 0.00 0.00 32.46 31.66 3msp n ARG 51 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3msp h ARG 52 N -0.47 0.00 -6.42 5.56 3.08 -1.99 -3.46 114.38 110.67 3msp h ARG 52 Ca -0.16 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.39 3msp h ARG 52 Cb 0.85 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 3msp h ARG 52 CO -0.09 0.65 -0.22 -0.51 -1.07 0.00 0.00 179.97 178.73 3msp s LEU 53 N -6.35 4.09 -0.06 3.04 1.43 -1.23 -2.93 118.68 116.68 3msp s LEU 53 Ca -0.00 0.52 -0.07 0.00 -1.03 0.00 0.00 54.13 53.54 3msp s LEU 53 Cb 0.09 -3.34 0.02 0.00 0.03 0.00 0.00 46.19 42.99 3msp s LEU 53 CO 0.80 -0.19 0.19 -0.94 0.23 0.00 0.00 176.35 176.45 3msp s SER 54 N -3.50 -0.18 0.08 2.29 1.04 -0.55 -4.70 113.70 108.18 3msp s SER 54 Ca 0.41 0.32 -0.01 0.00 0.48 0.00 0.00 55.95 57.15 3msp s SER 54 Cb -0.10 0.38 -0.04 0.00 0.10 0.00 0.00 66.02 66.35 3msp s SER 54 CO 0.32 -0.11 -0.02 0.54 0.98 0.00 0.00 173.24 174.95 3msp s VAL 55 N -0.09 0.28 -0.30 5.02 0.11 -1.26 -0.68 120.40 123.48 3msp s VAL 55 Ca -0.02 -1.85 -0.17 0.00 -2.93 0.00 0.00 61.98 57.01 3msp s VAL 55 Cb -0.02 -1.65 0.19 0.00 -1.53 0.00 0.00 36.38 33.37 3msp s VAL 55 CO 0.01 -0.87 1.21 -0.62 -3.33 0.00 0.00 175.10 171.49 3msp s ASP 56 N -2.97 -0.16 0.47 3.54 2.15 -0.80 -4.48 116.67 114.42 3msp s ASP 56 Ca 0.11 0.27 -0.21 0.00 0.43 0.00 0.00 52.55 53.14 3msp s ASP 56 Cb 0.07 0.98 -0.08 0.00 -0.30 0.00 0.00 42.92 43.59 3msp s ASP 56 CO -0.07 -0.04 1.06 -2.16 -0.17 0.00 0.00 175.17 173.79 3msp s PRO 57 N 1.00 3.85 0.14 4.34 0.04 -1.26 -1.10 135.00 142.01 3msp s PRO 57 Ca -0.07 1.45 0.23 0.00 0.04 0.00 0.00 61.00 62.65 3msp s PRO 57 Cb -0.03 -2.22 0.89 0.00 0.04 0.00 0.00 34.50 33.18 3msp s PRO 57 CO -0.11 -0.40 1.69 -0.35 0.04 0.00 0.00 177.00 177.87 3msp n PRO 58 N -0.73 0.13 0.00 0.56 -0.04 -1.26 -4.81 135.00 128.85 3msp n PRO 58 Ca 0.08 0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 3msp n PRO 58 Cb 0.51 -1.71 0.00 0.00 -0.04 0.00 0.00 33.50 32.27 3msp n PRO 58 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3msp n GLY 60 N -0.07 0.17 3.37 0.00 0.00 -0.91 -5.00 105.19 102.74 3msp n GLY 60 Ca 0.00 -1.05 -0.38 0.00 0.00 0.00 0.00 46.02 44.59 3msp n GLY 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3msp s VAL 61 N -2.00 4.16 0.65 1.61 1.01 -1.26 -1.94 120.40 122.63 3msp s VAL 61 Ca 0.00 -0.66 -0.04 0.00 0.00 0.00 0.00 61.98 61.27 3msp s VAL 61 Cb 0.00 -3.16 0.05 0.00 0.00 0.00 0.00 36.38 33.27 3msp s VAL 61 CO 0.00 0.04 0.94 -0.22 0.00 0.00 0.00 175.10 175.86 3msp s LEU 62 N 1.53 2.97 0.39 3.92 2.96 -0.48 -4.89 118.68 125.08 3msp s LEU 62 Ca 0.03 0.35 0.04 0.00 -0.22 0.00 0.00 54.13 54.33 3msp s LEU 62 Cb -0.17 -3.08 -0.03 0.00 0.50 0.00 0.00 46.19 43.41 3msp s LEU 62 CO 0.04 -1.43 0.12 -1.81 -1.32 0.00 0.00 176.35 171.94 3msp s ASP 63 N -4.48 2.65 -0.12 3.68 1.11 -1.26 -2.10 116.67 116.15 3msp s ASP 63 Ca 0.59 -1.61 -0.29 0.00 0.18 0.00 0.00 52.55 51.42 3msp s ASP 63 Cb -0.11 0.40 -0.06 0.00 1.07 0.00 0.00 42.92 44.22 3msp s ASP 63 CO 0.43 -0.87 2.06 -2.84 1.18 0.00 0.00 175.17 175.12 3msp s PRO 64 N -3.76 3.59 -1.39 8.23 0.02 -1.21 -1.82 135.00 138.67 3msp s PRO 64 Ca 0.26 2.21 -0.02 0.00 0.02 0.00 0.00 61.00 63.48 3msp s PRO 64 Cb 0.04 -4.26 0.00 0.00 0.02 0.00 0.00 34.50 30.30 3msp s PRO 64 CO 0.15 -1.57 0.22 1.63 -0.33 0.00 0.00 177.00 177.09 3msp n LYS 65 N 8.17 -2.55 -3.80 5.54 4.76 -0.20 -4.97 118.16 125.11 3msp n LYS 65 Ca 0.25 0.80 -0.32 0.00 -2.87 0.00 0.00 58.31 56.16 3msp n LYS 65 Cb 0.43 -5.28 -0.05 0.00 -1.84 0.00 0.00 35.03 28.30 3msp n LYS 65 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3msp s GLU 66 N -5.14 3.54 0.21 1.97 2.02 -0.76 -4.84 118.70 115.70 3msp s GLU 66 Ca 0.11 -0.21 0.09 0.00 0.02 0.00 0.00 54.97 54.98 3msp s GLU 66 Cb -0.05 -3.00 -0.04 0.00 0.10 0.00 0.00 34.13 31.14 3msp s GLU 66 CO 0.14 0.58 -0.06 0.15 0.02 0.00 0.00 175.26 176.10 3msp s LYS 67 N -2.27 2.18 -0.08 1.61 1.02 -1.26 -2.02 119.74 118.92 3msp s LYS 67 Ca 0.34 -1.30 -0.14 0.00 0.02 0.00 0.00 55.97 54.89 3msp s LYS 67 Cb -0.13 -2.18 0.03 0.00 -0.52 0.00 0.00 37.83 35.03 3msp s LYS 67 CO 0.23 0.42 0.34 0.54 -0.92 0.00 0.00 175.35 175.95 3msp s VAL 68 N -1.91 0.03 -0.07 3.17 0.11 -0.53 -5.00 120.40 116.19 3msp s VAL 68 Ca 0.27 -0.22 -0.13 0.00 -2.93 0.00 0.00 61.98 58.97 3msp s VAL 68 Cb -0.08 -0.56 -0.05 0.00 -1.53 0.00 0.00 36.38 34.16 3msp s VAL 68 CO 0.17 -0.12 0.32 -0.76 -3.33 0.00 0.00 175.10 171.38 3msp s LEU 69 N -0.53 4.39 0.20 2.54 1.43 -1.26 -2.53 118.68 122.91 3msp s LEU 69 Ca -0.06 0.73 0.08 0.00 -1.03 0.00 0.00 54.13 53.85 3msp s LEU 69 Cb -0.04 -2.42 -0.05 0.00 0.03 0.00 0.00 46.19 43.72 3msp s LEU 69 CO 0.02 0.27 -0.16 -0.32 0.23 0.00 0.00 176.35 176.40 3msp s MET 70 N -0.60 1.32 -0.00 1.70 1.75 -0.12 -4.36 119.30 118.99 3msp s MET 70 Ca 0.20 -1.55 -0.03 0.00 -1.25 0.00 0.00 55.69 53.06 3msp s MET 70 Cb -0.15 -1.19 -0.00 0.00 2.84 0.00 0.00 34.83 36.33 3msp s MET 70 CO 0.09 0.21 0.06 0.00 -0.65 0.00 0.00 175.02 174.73 3msp s ALA 71 N -2.72 -0.13 -0.35 4.11 0.00 -0.26 -1.50 121.76 120.91 3msp s ALA 71 Ca 0.21 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 51.98 3msp s ALA 71 Cb -0.02 0.05 0.14 0.00 0.00 0.00 0.00 23.12 23.29 3msp s ALA 71 CO 0.07 -0.14 0.24 0.08 0.00 0.00 0.00 175.76 176.01 3msp s VAL 72 N -0.99 -0.00 0.41 0.00 1.01 0.13 -1.90 120.40 119.07 3msp s VAL 72 Ca -0.11 -1.44 -0.17 0.00 0.00 0.00 0.00 61.98 60.26 3msp s VAL 72 Cb -0.06 -1.00 -0.09 0.00 0.00 0.00 0.00 36.38 35.23 3msp s VAL 72 CO 0.00 -0.87 0.86 -0.55 0.00 0.00 0.00 175.10 174.55 3msp s SER 73 N 1.26 6.76 -0.11 3.32 0.15 0.14 -1.98 113.70 123.24 3msp s SER 73 Ca 0.17 1.45 -0.02 0.00 0.70 0.00 0.00 55.95 58.25 3msp s SER 73 Cb -0.21 -2.45 0.04 0.00 -1.71 0.00 0.00 66.02 61.70 3msp s SER 73 CO -0.03 -0.37 0.02 0.00 1.20 0.00 0.00 173.24 174.06 3msp s ASP 75 N 1.95 6.16 0.13 0.00 1.11 -1.15 -3.79 116.67 121.08 3msp s ASP 75 Ca 0.03 2.74 -0.33 0.00 0.18 0.00 0.00 52.55 55.16 3msp s ASP 75 Cb -0.14 -2.64 -0.13 0.00 1.07 0.00 0.00 42.92 41.08 3msp s ASP 75 CO -0.06 -0.96 1.68 0.35 1.18 0.00 0.00 175.17 177.35 3msp n THR 76 N 0.01 0.13 -3.89 -1.27 -2.24 -1.26 -4.94 114.28 100.81 3msp n THR 76 Ca 0.04 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 3msp n THR 76 Cb 0.43 -1.73 0.00 0.00 -2.10 0.00 0.00 70.33 66.93 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 4.24 0.00 -4.09 4.78 -1.74 -1.08 -5.00 117.46 114.57 3msp n PHE 77 Ca 0.18 0.00 -0.32 0.00 -0.56 0.00 0.00 57.45 56.75 3msp n PHE 77 Cb 0.31 0.00 -0.16 0.00 1.52 0.00 0.00 39.48 41.15 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 -0.78 3.03 -0.20 5.98 0.01 -1.26 -4.45 114.94 117.27 3msp s ASN 78 Ca 0.00 -0.62 0.14 0.00 -0.71 0.00 0.00 52.86 51.67 3msp s ASN 78 Cb 0.00 -1.39 0.75 0.00 0.41 0.00 0.00 41.25 41.02 3msp s ASN 78 CO 0.00 -0.02 1.65 0.00 -1.51 0.00 0.00 177.10 177.22 3msp n ALA 79 N 4.66 3.65 0.04 0.60 0.00 -1.26 -4.07 120.51 124.13 3msp n ALA 79 Ca -0.20 -1.72 0.03 0.00 0.00 0.00 0.00 53.44 51.55 3msp n ALA 79 Cb 0.50 -1.10 -0.07 0.00 0.00 0.00 0.00 19.45 18.78 3msp n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3msp n ALA 80 N 0.68 2.07 -2.79 0.00 0.00 -1.26 -4.44 120.51 114.77 3msp n ALA 80 Ca 0.26 -0.48 -0.02 0.00 0.00 0.00 0.00 53.44 53.20 3msp n ALA 80 Cb 1.08 -0.98 0.06 0.00 0.00 0.00 0.00 19.45 19.61 3msp n ALA 80 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3msp n THR 81 N -2.83 1.03 -4.12 0.00 -2.24 -1.26 -5.10 114.28 99.77 3msp n THR 81 Ca -0.08 -2.65 -0.09 0.00 -2.27 0.00 0.00 64.05 58.96 3msp n THR 81 Cb 0.77 1.17 -0.10 0.00 -2.10 0.00 0.00 70.33 70.08 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 -3.10 0.69 -0.02 -0.78 0.41 -1.26 -5.11 118.70 109.52 3msp s GLU 82 Ca 0.25 -1.24 -0.20 0.00 -0.41 0.00 0.00 54.97 53.36 3msp s GLU 82 Cb 0.36 0.04 -0.05 0.00 -1.78 0.00 0.00 34.13 32.70 3msp s GLU 82 CO -0.04 -0.07 0.58 0.34 -0.49 0.00 0.00 175.26 175.58 3msp s ASP 83 N -2.91 6.93 -0.49 -0.19 -1.08 -1.26 -4.94 116.67 112.73 3msp s ASP 83 Ca 0.08 1.11 0.07 0.00 -0.52 0.00 0.00 52.55 53.29 3msp s ASP 83 Cb 0.06 -2.35 0.38 0.00 -1.46 0.00 0.00 42.92 39.54 3msp s ASP 83 CO -0.08 0.08 0.98 0.18 0.52 0.00 0.00 175.17 176.85 3msp n LEU 84 N 2.88 3.95 -0.89 -1.34 4.77 -1.26 -4.69 117.00 120.42 3msp n LEU 84 Ca -0.07 -5.32 -0.01 0.00 -0.03 0.00 0.00 56.01 50.58 3msp n LEU 84 Cb 0.51 -0.32 -0.01 0.00 -2.33 0.00 0.00 43.42 41.27 3msp n LEU 84 CO 0.43 2.26 0.23 0.59 -1.33 0.00 0.00 177.39 179.57 3msp n ASN 85 N -0.25 -0.03 0.00 -1.43 3.02 -1.26 -4.73 115.26 110.59 3msp n ASN 85 Ca 0.31 -1.75 0.00 0.00 -0.03 0.00 0.00 54.58 53.11 3msp n ASN 85 Cb 0.54 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.67 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 0.12 0.50 -4.48 6.41 3.02 -1.26 -5.02 115.26 114.54 3msp n ASN 86 Ca -0.06 -1.20 -0.43 0.00 -0.03 0.00 0.00 54.58 52.86 3msp n ASN 86 Cb 0.76 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.86 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 -0.20 6.26 -0.06 6.41 1.11 -1.26 -4.74 116.67 124.19 3msp s ASP 87 Ca 0.00 -0.62 -0.04 0.00 0.18 0.00 0.00 52.55 52.06 3msp s ASP 87 Cb 0.00 -2.29 0.02 0.00 1.07 0.00 0.00 42.92 41.72 3msp s ASP 87 CO 0.00 -0.79 0.15 -0.13 1.18 0.00 0.00 175.17 175.58 3msp s ARG 88 N 2.64 0.15 0.41 8.23 0.52 -1.26 -1.74 118.95 127.90 3msp s ARG 88 Ca 0.18 0.28 0.02 0.00 -0.52 0.00 0.00 55.73 55.69 3msp s ARG 88 Cb -0.17 -0.02 -0.01 0.00 0.52 0.00 0.00 34.95 35.28 3msp s ARG 88 CO 0.15 -0.08 0.61 0.42 0.02 0.00 0.00 175.30 176.42 3msp s ILE 89 N 0.51 4.21 -0.10 1.52 1.01 -1.04 -3.25 121.20 124.07 3msp s ILE 89 Ca -0.04 -0.60 -0.04 0.00 0.00 0.00 0.00 60.65 59.97 3msp s ILE 89 Cb -0.05 -3.53 0.05 0.00 0.01 0.00 0.00 42.46 38.94 3msp s ILE 89 CO -0.02 -0.33 0.20 -0.89 0.00 0.00 0.00 174.94 173.89 3msp s THR 90 N -2.43 -0.22 -0.42 2.92 2.01 0.15 -1.74 115.64 115.91 3msp s THR 90 Ca 0.46 0.26 -0.00 0.00 0.31 0.00 0.00 61.69 62.72 3msp s THR 90 Cb -0.10 -0.34 0.12 0.00 0.01 0.00 0.00 72.50 72.19 3msp s THR 90 CO 0.36 0.11 0.19 -0.63 -0.69 0.00 0.00 174.62 173.96 3msp s ILE 91 N 1.90 3.00 -0.14 1.82 1.09 -0.60 -1.21 121.20 127.07 3msp s ILE 91 Ca -0.02 -2.35 -0.07 0.00 -1.10 0.00 0.00 60.65 57.12 3msp s ILE 91 Cb -0.12 -3.08 -0.04 0.00 -1.06 0.00 0.00 42.46 38.16 3msp s ILE 91 CO -0.07 -0.70 0.10 -1.61 -0.10 0.00 0.00 174.94 172.56 3msp s GLU 92 N 0.82 3.55 -0.05 2.79 2.02 -0.95 -2.23 118.70 124.65 3msp s GLU 92 Ca 0.11 -0.23 -0.08 0.00 0.02 0.00 0.00 54.97 54.79 3msp s GLU 92 Cb -0.22 -3.16 0.01 0.00 0.10 0.00 0.00 34.13 30.87 3msp s GLU 92 CO -0.05 0.62 0.19 1.67 0.02 0.00 0.00 175.26 177.70 3msp s TRP 93 N -0.58 -0.14 -0.01 1.61 -2.14 -0.87 -1.28 118.94 115.54 3msp s TRP 93 Ca 0.12 0.31 -0.02 0.00 2.66 0.00 0.00 56.10 59.17 3msp s TRP 93 Cb -0.12 0.04 -0.00 0.00 -3.10 0.00 0.00 33.47 30.29 3msp s TRP 93 CO 0.02 -0.18 0.04 -0.08 -2.66 0.00 0.00 176.95 174.09 3msp s THR 94 N -0.45 0.04 0.07 0.66 -1.32 -0.99 -2.22 115.64 111.44 3msp s THR 94 Ca -0.05 -0.29 -0.30 0.00 -1.21 0.00 0.00 61.69 59.83 3msp s THR 94 Cb -0.04 -0.16 -0.09 0.00 -1.51 0.00 0.00 72.50 70.70 3msp s THR 94 CO 0.01 -0.16 1.88 0.20 -2.21 0.00 0.00 174.62 174.34 3msp s ASN 95 N -0.48 6.45 0.46 8.08 -0.87 -1.26 -1.58 114.94 125.74 3msp s ASN 95 Ca -0.05 2.69 -0.23 0.00 -1.57 0.00 0.00 52.86 53.69 3msp s ASN 95 Cb -0.03 -2.55 -0.10 0.00 -0.02 0.00 0.00 41.25 38.55 3msp s ASN 95 CO -0.00 -1.02 0.97 0.35 -2.57 0.00 0.00 177.10 174.83 3msp n THR 96 N 5.16 2.62 -1.01 1.60 -2.24 -1.18 -4.92 114.28 114.31 3msp n THR 96 Ca 0.19 -0.50 -0.31 0.00 -2.27 0.00 0.00 64.05 61.16 3msp n THR 96 Cb 0.40 -1.13 0.13 0.00 -2.10 0.00 0.00 70.33 67.63 3msp n THR 96 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 3msp s PRO 97 N -2.13 1.61 -0.26 -0.78 0.04 -1.26 -4.85 135.00 127.37 3msp s PRO 97 Ca 0.65 1.29 -0.39 0.00 0.04 0.00 0.00 61.00 62.60 3msp s PRO 97 Cb -0.53 -1.81 -0.15 0.00 0.04 0.00 0.00 34.50 32.05 3msp s PRO 97 CO 0.55 -2.13 1.81 -0.25 0.04 0.00 0.00 177.00 177.02 3msp n ASP 98 N -3.87 2.55 -3.59 6.66 8.00 -1.26 -0.71 116.55 124.33 3msp n ASP 98 Ca 0.10 1.00 -0.23 0.00 0.71 0.00 0.00 54.79 56.37 3msp n ASP 98 Cb 0.53 -1.19 0.08 0.00 -0.02 0.00 0.00 41.12 40.52 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 4.47 -0.52 3.76 0.44 0.00 -1.26 -4.95 105.19 107.13 3msp n GLY 99 Ca 0.27 0.23 -0.41 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.33 3.45 1.03 4.61 0.00 0.11 -4.99 121.76 122.64 3msp s ALA 100 Ca 0.51 1.04 -0.16 0.00 0.00 0.00 0.00 51.96 53.35 3msp s ALA 100 Cb -0.22 -3.39 0.06 0.00 0.00 0.00 0.00 23.12 19.56 3msp s ALA 100 CO 0.73 -0.36 0.18 0.00 0.00 0.00 0.00 175.76 176.31 3msp n ALA 101 N 1.16 -3.38 -2.37 0.00 0.00 -1.26 -4.84 120.51 109.81 3msp n ALA 101 Ca -0.00 -0.91 -0.43 0.00 0.00 0.00 0.00 53.44 52.10 3msp n ALA 101 Cb 0.44 -1.65 0.00 0.00 0.00 0.00 0.00 19.45 18.24 3msp n ALA 101 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3msp n LYS 102 N -1.70 3.64 -3.65 0.00 2.85 -1.26 -4.83 118.16 113.21 3msp n LYS 102 Ca 0.04 -3.56 0.01 0.00 -1.05 0.00 0.00 58.31 53.75 3msp n LYS 102 Cb 0.58 -2.92 -0.06 0.00 -0.65 0.00 0.00 35.03 31.98 3msp n LYS 102 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 3msp s GLN 103 N 0.32 0.09 0.66 -1.58 1.03 -1.26 -5.15 119.66 113.77 3msp s GLN 103 Ca 0.39 0.15 -0.17 0.00 0.04 0.00 0.00 55.36 55.78 3msp s GLN 103 Cb 0.09 0.02 -0.05 0.00 0.03 0.00 0.00 33.01 33.10 3msp s GLN 103 CO 0.01 -0.02 0.60 0.34 -2.54 0.00 0.00 175.29 173.68 3msp n PHE 104 N 2.93 -0.49 -4.08 9.60 7.35 -1.26 -5.02 117.46 126.49 3msp n PHE 104 Ca -0.16 0.39 -0.12 0.00 -0.76 0.00 0.00 57.45 56.80 3msp n PHE 104 Cb 0.56 -1.96 -0.11 0.00 0.35 0.00 0.00 39.48 38.32 3msp n PHE 104 CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 3msp s ARG 105 N -2.57 0.57 0.08 -4.13 3.52 -1.26 -5.05 118.95 110.12 3msp s ARG 105 Ca 0.68 -0.87 0.19 0.00 -0.13 0.00 0.00 55.73 55.61 3msp s ARG 105 Cb -0.39 -0.24 -0.12 0.00 -1.56 0.00 0.00 34.95 32.64 3msp s ARG 105 CO 0.55 0.03 0.81 -2.13 -0.81 0.00 0.00 175.30 173.74 3msp n ARG 106 N 1.16 0.62 0.27 5.12 0.63 -1.26 -3.96 116.66 119.24 3msp n ARG 106 Ca -0.21 0.14 0.18 0.00 -0.92 0.00 0.00 57.85 57.03 3msp n ARG 106 Cb 0.56 -1.77 0.79 0.00 0.45 0.00 0.00 32.46 32.49 3msp n ARG 106 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 3msp h GLU 107 N 0.00 0.00 0.00 -0.14 5.08 -1.99 -2.60 114.58 114.93 3msp h GLU 107 Ca -0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3msp h GLU 107 Cb 1.39 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.64 3msp h GLU 107 CO 0.03 0.00 0.00 -1.49 -1.00 0.00 0.00 179.01 176.55 3msp h TRP 108 N 0.00 0.00 -0.66 4.33 6.55 -1.99 -1.93 115.95 122.25 3msp h TRP 108 Ca 0.00 0.00 -0.45 0.00 0.95 0.00 0.00 58.89 59.39 3msp h TRP 108 Cb 0.33 0.00 -0.42 0.00 -0.86 0.00 0.00 29.16 28.21 3msp h TRP 108 CO 0.00 0.00 -0.91 1.19 -1.05 0.00 0.00 178.44 177.67 3msp n PHE 109 N -2.47 2.29 -1.43 0.49 3.01 -0.98 -4.75 117.46 113.61 3msp n PHE 109 Ca -0.02 -2.21 -0.00 0.00 1.01 0.00 0.00 57.45 56.23 3msp n PHE 109 Cb 0.05 -0.30 0.20 0.00 -0.01 0.00 0.00 39.48 39.42 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 -0.67 1.84 -3.70 -1.08 -0.00 -0.72 -5.04 117.38 108.00 3msp n GLN 110 Ca 0.32 -3.16 0.00 0.00 -0.00 0.00 0.00 57.00 54.16 3msp n GLN 110 Cb 0.91 -1.76 0.00 0.00 -0.00 0.00 0.00 30.24 29.39 3msp n GLN 110 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3msp n GLY 111 N -1.09 -2.30 3.85 2.61 0.00 -1.26 -5.11 105.19 101.88 3msp n GLY 111 Ca 0.28 -1.22 -0.32 0.00 0.00 0.00 0.00 46.02 44.76 3msp n GLY 111 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3msp s ASP 112 N -0.33 6.49 0.00 1.61 2.15 -1.26 -4.93 116.67 120.40 3msp s ASP 112 Ca 0.00 1.52 0.00 0.00 0.43 0.00 0.00 52.55 54.50 3msp s ASP 112 Cb 0.00 -2.49 0.00 0.00 -0.30 0.00 0.00 42.92 40.13 3msp s ASP 112 CO 0.00 -0.68 0.00 0.61 -0.17 0.00 0.00 175.17 174.93 3msp n GLY 113 N -1.96 0.69 2.42 2.66 0.00 -1.26 -5.06 105.19 102.67 3msp n GLY 113 Ca 0.06 -0.35 -0.01 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.94 0.00 1.61 2.81 -1.26 -4.97 117.12 111.37 3msp n MET 114 Ca 0.00 2.90 0.00 0.00 -1.81 0.00 0.00 57.70 58.79 3msp n MET 114 Cb 0.00 -3.84 0.00 0.00 -0.71 0.00 0.00 33.22 28.67 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 1.91 0.00 -3.99 2.03 3.14 -1.26 -4.59 118.33 115.56 3msp n VAL 115 Ca -0.11 0.00 -0.27 0.00 -2.96 0.00 0.00 64.34 61.01 3msp n VAL 115 Cb 0.16 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 32.90 3msp n VAL 115 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 3msp s ARG 116 N 0.00 3.23 -0.31 1.45 0.52 -0.94 -4.97 118.95 117.92 3msp s ARG 116 Ca 0.00 -0.68 -0.03 0.00 -0.52 0.00 0.00 55.73 54.50 3msp s ARG 116 Cb 0.00 -2.85 0.11 0.00 0.52 0.00 0.00 34.95 32.73 3msp s ARG 116 CO 0.00 0.52 0.15 -0.98 0.02 0.00 0.00 175.30 175.02 3msp s ARG 117 N -3.07 0.32 0.54 3.54 1.70 -1.26 -2.04 118.95 118.68 3msp s ARG 117 Ca 0.33 -0.80 -0.06 0.00 -0.47 0.00 0.00 55.73 54.73 3msp s ARG 117 Cb -0.11 -1.23 -0.01 0.00 -0.57 0.00 0.00 34.95 33.03 3msp s ARG 117 CO 0.26 -1.08 0.86 0.21 -1.08 0.00 0.00 175.30 174.47 3msp s LYS 118 N 1.76 3.23 -0.03 3.89 2.20 -0.95 -4.90 119.74 124.94 3msp s LYS 118 Ca 0.12 0.13 -0.01 0.00 -0.36 0.00 0.00 55.97 55.85 3msp s LYS 118 Cb -0.18 -2.31 0.03 0.00 -1.51 0.00 0.00 37.83 33.86 3msp s LYS 118 CO -0.25 -0.48 0.06 -0.80 -0.36 0.00 0.00 175.35 173.52 3msp s ASN 119 N -4.21 0.40 -0.43 1.43 0.01 -1.26 -1.56 114.94 109.33 3msp s ASN 119 Ca 0.51 0.10 -0.05 0.00 -0.71 0.00 0.00 52.86 52.71 3msp s ASN 119 Cb -0.10 -0.04 0.11 0.00 0.41 0.00 0.00 41.25 41.62 3msp s ASN 119 CO 0.46 -0.17 0.25 -0.76 -1.51 0.00 0.00 177.10 175.36 3msp s LEU 120 N 1.48 5.36 0.45 0.60 1.43 -0.71 -4.79 118.68 122.50 3msp s LEU 120 Ca -0.04 -1.95 -0.24 0.00 -1.03 0.00 0.00 54.13 50.87 3msp s LEU 120 Cb -0.13 -1.89 -0.09 0.00 0.03 0.00 0.00 46.19 44.11 3msp s LEU 120 CO -0.03 -0.58 1.15 -2.65 0.23 0.00 0.00 176.35 174.46 3msp n PRO 121 N 4.71 1.58 -3.67 1.29 -0.02 -1.26 -2.48 135.00 135.16 3msp n PRO 121 Ca -0.05 0.57 -0.38 0.00 -2.02 0.00 0.00 63.50 61.62 3msp n PRO 121 Cb 0.41 -2.26 -0.09 0.00 -0.02 0.00 0.00 33.50 31.55 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 -1.27 3.89 0.21 4.25 -1.09 -0.71 -2.54 121.20 123.94 3msp s ILE 122 Ca 0.64 -2.57 -0.26 0.00 -2.23 0.00 0.00 60.65 56.23 3msp s ILE 122 Cb -0.51 -3.55 -0.08 0.00 -1.58 0.00 0.00 42.46 36.74 3msp s ILE 122 CO 0.55 -0.84 0.83 -1.61 -1.23 0.00 0.00 174.94 172.65 3msp s GLU 123 N 0.39 4.63 -0.45 2.79 2.02 -0.79 -4.73 118.70 122.55 3msp s GLU 123 Ca 0.14 1.24 -0.12 0.00 0.02 0.00 0.00 54.97 56.25 3msp s GLU 123 Cb -0.21 -3.19 0.08 0.00 0.10 0.00 0.00 34.13 30.92 3msp s GLU 123 CO -0.04 0.51 0.33 0.71 0.02 0.00 0.00 175.26 176.80 3msp s TYR 124 N -1.24 3.30 -1.22 1.61 1.51 -1.26 -0.01 117.35 120.05 3msp s TYR 124 Ca 0.39 -1.30 -0.20 0.00 -1.01 0.00 0.00 57.07 54.96 3msp s TYR 124 Cb -0.23 -3.12 0.05 0.00 -0.11 0.00 0.00 41.96 38.55 3msp s TYR 124 CO 0.27 -0.85 1.70 1.21 -1.11 0.00 0.00 175.55 176.78 3msp s ASN 125 N 2.42 6.53 0.00 2.29 2.47 -0.83 -4.99 114.94 122.84 3msp s ASN 125 Ca 0.04 -2.11 0.24 0.00 0.42 0.00 0.00 52.86 51.45 3msp s ASN 125 Cb -0.24 -2.58 1.45 0.00 -1.45 0.00 0.00 41.25 38.43 3msp s ASN 125 CO 0.04 -1.48 1.81 0.18 -3.72 0.00 0.00 177.10 173.93