#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 -5.22 -2.31 0.00 1.13 -1.26 -5.03 117.38 104.70 3msp n GLN 2 Ca 0.00 3.76 -0.25 0.00 -1.94 0.00 0.00 57.00 58.57 3msp n GLN 2 Cb 0.00 -4.38 0.15 0.00 0.11 0.00 0.00 30.24 26.12 3msp n GLN 2 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 3msp n SER 3 N 1.81 0.90 -4.77 1.08 7.64 -1.26 -5.06 113.62 113.95 3msp n SER 3 Ca 0.00 -1.90 -0.39 0.00 1.01 0.00 0.00 58.87 57.60 3msp n SER 3 Cb 0.00 -0.77 -0.06 0.00 -1.01 0.00 0.00 64.21 62.37 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 -3.35 4.21 0.91 0.44 -7.23 -1.26 -5.02 120.40 109.11 3msp s VAL 4 Ca 0.69 1.86 -0.12 0.00 -1.81 0.00 0.00 61.98 62.60 3msp s VAL 4 Cb -0.03 -4.15 0.14 0.00 0.56 0.00 0.00 36.38 32.90 3msp s VAL 4 CO 0.47 0.36 1.11 -2.16 -0.31 0.00 0.00 175.10 174.56 3msp s PRO 5 N -1.54 1.14 0.68 4.82 0.04 -1.26 -4.63 135.00 134.25 3msp s PRO 5 Ca 0.43 0.51 -0.13 0.00 0.04 0.00 0.00 61.00 61.85 3msp s PRO 5 Cb -0.22 -1.82 0.01 0.00 0.04 0.00 0.00 34.50 32.51 3msp s PRO 5 CO 0.27 -2.24 1.07 -1.25 0.04 0.00 0.00 177.00 174.89 3msp s PRO 6 N -5.11 2.84 -0.03 0.56 0.04 -1.26 -5.01 135.00 127.03 3msp s PRO 6 Ca 0.64 1.14 -0.28 0.00 0.04 0.00 0.00 61.00 62.54 3msp s PRO 6 Cb -0.16 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 3msp s PRO 6 CO 0.55 -1.19 0.89 0.20 0.04 0.00 0.00 177.00 177.50 3msp s GLY 7 N -3.25 2.78 0.11 0.56 0.00 -1.26 -4.98 107.32 101.28 3msp s GLY 7 Ca 0.62 0.40 -0.36 0.00 0.00 0.00 0.00 44.72 45.38 3msp s GLY 7 CO 0.49 1.55 1.43 1.22 0.00 0.00 0.00 173.10 177.78 3msp n ASP 8 N 3.95 2.17 -4.60 1.64 8.00 -1.26 -4.29 116.55 122.17 3msp n ASP 8 Ca 0.04 1.11 -0.38 0.00 0.71 0.00 0.00 54.79 56.26 3msp n ASP 8 Cb 0.51 -1.28 -0.11 0.00 -0.02 0.00 0.00 41.12 40.23 3msp n ASP 8 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3msp s ILE 9 N 0.64 5.29 0.26 0.53 -4.36 -1.26 -2.49 121.20 119.80 3msp s ILE 9 Ca 0.82 0.25 -0.26 0.00 -0.26 0.00 0.00 60.65 61.21 3msp s ILE 9 Cb -0.86 -3.56 -0.09 0.00 1.25 0.00 0.00 42.46 39.20 3msp s ILE 9 CO 0.44 0.24 0.87 0.54 0.24 0.00 0.00 174.94 177.26 3msp s ASN 10 N 1.71 7.37 0.06 4.36 2.20 0.95 -4.83 114.94 126.77 3msp s ASN 10 Ca 0.09 1.75 0.01 0.00 -0.94 0.00 0.00 52.86 53.77 3msp s ASN 10 Cb -0.16 -2.54 -0.03 0.00 -2.00 0.00 0.00 41.25 36.52 3msp s ASN 10 CO 0.11 0.06 -0.06 0.42 -2.94 0.00 0.00 177.10 174.68 3msp s THR 11 N -1.41 0.51 -0.23 0.54 -4.23 -1.26 -0.81 115.64 108.75 3msp s THR 11 Ca 0.44 -1.53 -0.03 0.00 -1.18 0.00 0.00 61.69 59.39 3msp s THR 11 Cb -0.21 -1.16 0.11 0.00 1.34 0.00 0.00 72.50 72.58 3msp s THR 11 CO 0.26 -0.70 0.24 0.00 -0.54 0.00 0.00 174.62 173.88 3msp s GLN 12 N -2.87 0.23 0.77 3.99 -2.07 -0.83 -2.25 119.66 116.63 3msp s GLN 12 Ca 0.01 0.06 -0.14 0.00 -1.82 0.00 0.00 55.36 53.47 3msp s GLN 12 Cb -0.01 -1.04 0.06 0.00 -1.09 0.00 0.00 33.01 30.93 3msp s GLN 12 CO -0.04 -0.78 1.23 -2.14 -1.32 0.00 0.00 175.29 172.24 3msp s PRO 13 N 2.32 1.83 -0.12 9.60 0.02 -1.26 -2.55 135.00 144.84 3msp s PRO 13 Ca 0.08 1.85 -0.28 0.00 0.02 0.00 0.00 61.00 62.67 3msp s PRO 13 Cb -0.15 -1.79 -0.24 0.00 0.02 0.00 0.00 34.50 32.34 3msp s PRO 13 CO -0.20 -2.09 0.83 0.77 -0.33 0.00 0.00 177.00 175.98 3msp h SER 14 N -0.56 -0.00 -0.01 2.53 0.02 -1.84 -3.44 113.55 110.24 3msp h SER 14 Ca -0.47 -0.88 -0.18 0.00 -0.84 0.00 0.00 61.79 59.41 3msp h SER 14 Cb 1.31 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.69 3msp h SER 14 CO 0.48 0.90 -0.31 0.00 -1.14 0.00 0.00 176.83 176.76 3msp n GLN 15 N -4.66 1.35 -3.29 3.45 6.02 -1.26 -4.80 117.38 114.19 3msp n GLN 15 Ca -0.09 -1.38 -0.08 0.00 -0.01 0.00 0.00 57.00 55.44 3msp n GLN 15 Cb 0.43 0.30 -0.05 0.00 1.02 0.00 0.00 30.24 31.94 3msp n GLN 15 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3msp s LYS 16 N 0.04 0.65 -0.08 -1.09 1.02 -1.26 -4.29 119.74 114.73 3msp s LYS 16 Ca 0.12 -0.37 0.04 0.00 0.02 0.00 0.00 55.97 55.77 3msp s LYS 16 Cb 0.44 -0.31 0.00 0.00 -0.52 0.00 0.00 37.83 37.44 3msp s LYS 16 CO -0.12 -1.15 -0.20 -1.50 -0.92 0.00 0.00 175.35 171.46 3msp s ILE 17 N 1.89 1.71 -0.12 2.17 2.07 -1.05 -4.82 121.20 123.05 3msp s ILE 17 Ca 0.15 -0.83 -0.03 0.00 -1.41 0.00 0.00 60.65 58.53 3msp s ILE 17 Cb -0.11 -1.50 0.05 0.00 0.13 0.00 0.00 42.46 41.04 3msp s ILE 17 CO -0.12 0.48 0.07 0.54 -1.91 0.00 0.00 174.94 174.00 3msp s VAL 18 N 0.39 0.02 -0.52 4.00 0.11 -1.26 -1.31 120.40 121.83 3msp s VAL 18 Ca -0.15 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 58.62 3msp s VAL 18 Cb -0.16 -0.49 -0.01 0.00 -1.53 0.00 0.00 36.38 34.19 3msp s VAL 18 CO 0.06 -0.08 1.67 -0.36 -3.33 0.00 0.00 175.10 173.06 3msp s PHE 19 N 2.10 1.94 0.61 1.54 0.08 0.62 -4.79 117.98 120.08 3msp s PHE 19 Ca 0.03 0.63 -0.16 0.00 0.12 0.00 0.00 56.93 57.54 3msp s PHE 19 Cb -0.15 -4.21 -0.03 0.00 -0.57 0.00 0.00 43.02 38.06 3msp s PHE 19 CO -0.07 -2.34 1.10 1.21 -0.10 0.00 0.00 175.22 175.02 3msp s ASN 20 N 6.15 5.50 0.87 1.36 2.47 -1.26 -1.97 114.94 128.06 3msp s ASN 20 Ca 0.65 1.98 -0.12 0.00 0.42 0.00 0.00 52.86 55.79 3msp s ASN 20 Cb -0.14 -2.55 0.12 0.00 -1.45 0.00 0.00 41.25 37.22 3msp s ASN 20 CO 0.26 -1.36 1.16 0.00 -3.72 0.00 0.00 177.10 173.43 3msp s ALA 21 N -2.22 2.13 0.77 1.71 0.00 0.35 -4.74 121.76 119.74 3msp s ALA 21 Ca 0.67 -0.60 -0.12 0.00 0.00 0.00 0.00 51.96 51.91 3msp s ALA 21 Cb -0.20 -2.99 0.05 0.00 0.00 0.00 0.00 23.12 19.98 3msp s ALA 21 CO 0.36 -2.06 1.13 -1.25 0.00 0.00 0.00 175.76 173.93 3msp s PRO 22 N -5.42 2.35 -0.71 0.00 0.04 -1.26 -5.07 135.00 124.92 3msp s PRO 22 Ca 0.63 0.35 0.00 0.00 0.04 0.00 0.00 61.00 62.03 3msp s PRO 22 Cb -0.13 -1.97 0.37 0.00 0.04 0.00 0.00 34.50 32.81 3msp s PRO 22 CO 0.52 -1.37 1.71 0.66 0.04 0.00 0.00 177.00 178.56 3msp n TYR 23 N -3.21 3.13 0.07 0.56 4.01 -1.26 -4.45 117.16 116.01 3msp n TYR 23 Ca 0.07 -2.59 0.01 0.00 -0.16 0.00 0.00 57.90 55.23 3msp n TYR 23 Cb 0.58 -0.81 0.00 0.00 -0.31 0.00 0.00 39.34 38.81 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 -0.52 0.79 -4.03 7.72 8.00 -1.26 -3.22 116.55 124.03 3msp n ASP 24 Ca 0.49 -0.90 -0.11 0.00 0.71 0.00 0.00 54.79 54.98 3msp n ASP 24 Cb 0.38 0.33 -0.11 0.00 -0.02 0.00 0.00 41.12 41.70 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 -0.48 0.63 -0.29 -2.24 1.11 -1.26 -4.80 116.67 109.34 3msp s ASP 25 Ca 0.02 -0.55 -0.28 0.00 0.18 0.00 0.00 52.55 51.92 3msp s ASP 25 Cb 0.01 0.06 -0.03 0.00 1.07 0.00 0.00 42.92 44.04 3msp s ASP 25 CO 0.04 -0.25 1.84 -0.54 1.18 0.00 0.00 175.17 177.44 3msp s LYS 26 N -1.61 3.38 -0.83 8.23 1.02 -1.26 -4.10 119.74 124.58 3msp s LYS 26 Ca -0.12 1.58 -0.03 0.00 0.02 0.00 0.00 55.97 57.42 3msp s LYS 26 Cb -0.09 -4.20 0.21 0.00 -0.52 0.00 0.00 37.83 33.22 3msp s LYS 26 CO -0.00 -1.80 0.70 -1.01 -0.92 0.00 0.00 175.35 172.31 3msp s HIS 27 N 6.84 3.77 -0.25 3.18 3.76 -1.16 -4.97 115.29 126.46 3msp s HIS 27 Ca 0.82 -2.89 -0.29 0.00 -0.15 0.00 0.00 55.06 52.56 3msp s HIS 27 Cb -0.25 -3.28 -0.02 0.00 1.11 0.00 0.00 32.58 30.15 3msp s HIS 27 CO 0.34 -0.78 1.50 0.99 -0.85 0.00 0.00 174.74 175.93 3msp s THR 28 N -0.94 3.86 -0.14 1.30 2.01 -1.26 -4.52 115.64 115.96 3msp s THR 28 Ca 0.24 0.97 -0.12 0.00 0.31 0.00 0.00 61.69 63.09 3msp s THR 28 Cb -0.11 -3.87 -0.05 0.00 0.01 0.00 0.00 72.50 68.48 3msp s THR 28 CO -0.10 -0.36 0.27 -0.31 -0.69 0.00 0.00 174.62 173.43 3msp s TYR 29 N 4.89 3.51 -0.12 4.92 1.51 -1.22 -4.89 117.35 125.95 3msp s TYR 29 Ca 0.66 0.61 -0.06 0.00 -1.01 0.00 0.00 57.07 57.27 3msp s TYR 29 Cb -0.22 -2.25 -0.04 0.00 -0.11 0.00 0.00 41.96 39.34 3msp s TYR 29 CO 0.27 0.37 0.10 -1.01 -1.11 0.00 0.00 175.55 174.17 3msp s HIS 30 N 0.02 3.45 0.03 2.71 3.76 -1.26 -1.33 115.29 122.66 3msp s HIS 30 Ca 0.16 0.40 0.04 0.00 -0.15 0.00 0.00 55.06 55.51 3msp s HIS 30 Cb -0.13 -1.92 -0.02 0.00 1.11 0.00 0.00 32.58 31.62 3msp s HIS 30 CO 0.04 0.61 -0.12 0.42 -0.85 0.00 0.00 174.74 174.85 3msp s ILE 31 N -0.84 0.90 -0.11 0.60 1.09 -0.91 -4.86 121.20 117.07 3msp s ILE 31 Ca 0.13 -0.86 -0.05 0.00 -1.10 0.00 0.00 60.65 58.77 3msp s ILE 31 Cb -0.12 -0.83 -0.04 0.00 -1.06 0.00 0.00 42.46 40.42 3msp s ILE 31 CO 0.03 -0.02 0.08 -0.54 -0.10 0.00 0.00 174.94 174.39 3msp s LYS 32 N -1.00 3.34 0.24 2.79 1.02 -1.06 -2.53 119.74 122.54 3msp s LYS 32 Ca -0.00 -0.25 0.11 0.00 0.02 0.00 0.00 55.97 55.85 3msp s LYS 32 Cb -0.07 -3.05 -0.05 0.00 -0.52 0.00 0.00 37.83 34.14 3msp s LYS 32 CO 0.01 0.69 -0.20 0.42 -0.92 0.00 0.00 175.35 175.35 3msp s ILE 33 N -0.82 2.32 -0.11 2.17 1.01 -0.97 -1.96 121.20 122.84 3msp s ILE 33 Ca 0.13 -2.24 -0.30 0.00 0.00 0.00 0.00 60.65 58.24 3msp s ILE 33 Cb -0.12 -2.19 0.08 0.00 0.01 0.00 0.00 42.46 40.25 3msp s ILE 33 CO 0.03 -0.33 0.76 -0.89 0.00 0.00 0.00 174.94 174.51 3msp s THR 34 N -2.27 0.00 -0.61 2.92 2.01 0.01 -1.45 115.64 116.26 3msp s THR 34 Ca 0.25 0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.30 3msp s THR 34 Cb -0.06 -1.00 0.15 0.00 0.01 0.00 0.00 72.50 71.61 3msp s THR 34 CO 0.12 0.00 0.38 0.54 -0.69 0.00 0.00 174.62 174.97 3msp s ASN 35 N -0.95 4.47 0.58 3.53 4.22 -0.97 -0.04 114.94 125.78 3msp s ASN 35 Ca -0.07 -3.44 0.34 0.00 -2.14 0.00 0.00 52.86 47.54 3msp s ASN 35 Cb -0.01 -1.58 1.36 0.00 1.28 0.00 0.00 41.25 42.31 3msp s ASN 35 CO 0.07 -0.15 1.63 0.00 -2.04 0.00 0.00 177.10 176.61 3msp h ALA 36 N 5.91 2.94 -2.29 3.54 0.00 -1.74 -2.29 119.26 125.32 3msp h ALA 36 Ca 0.05 -0.04 -0.57 0.00 0.00 0.00 0.00 54.91 54.36 3msp h ALA 36 Cb 0.82 0.08 0.19 0.00 0.00 0.00 0.00 17.79 18.88 3msp h ALA 36 CO 0.69 -1.51 -0.74 0.41 0.00 0.00 0.00 179.25 178.09 3msp n GLY 37 N -1.71 -2.28 2.78 0.00 0.00 -1.26 -4.15 105.19 98.57 3msp n GLY 37 Ca 0.23 -0.41 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 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 2.05 5.79 3.57 -0.02 0.00 -1.26 -2.64 105.19 112.67 3msp n GLY 38 Ca 0.08 -2.51 -0.08 0.00 0.00 0.00 0.00 46.02 43.51 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 -4.12 0.55 0.55 1.61 1.81 -1.26 -4.90 118.95 113.18 3msp s ARG 39 Ca 0.46 -0.05 -0.20 0.00 -1.72 0.00 0.00 55.73 54.22 3msp s ARG 39 Cb 0.32 0.26 -0.05 0.00 -0.45 0.00 0.00 34.95 35.02 3msp s ARG 39 CO -0.28 -0.21 1.22 1.03 -0.68 0.00 0.00 175.30 176.39 3msp s ARG 40 N -1.94 3.23 0.16 3.54 0.52 -1.26 -3.98 118.95 119.22 3msp s ARG 40 Ca 0.03 1.88 -0.07 0.00 -0.52 0.00 0.00 55.73 57.06 3msp s ARG 40 Cb -0.01 -2.12 -0.02 0.00 0.52 0.00 0.00 34.95 33.32 3msp s ARG 40 CO -0.04 -1.01 0.22 0.96 0.02 0.00 0.00 175.30 175.46 3msp s ILE 41 N -1.53 0.07 -0.27 1.52 -4.36 -0.93 -2.08 121.20 113.62 3msp s ILE 41 Ca 0.72 -1.54 0.01 0.00 -0.26 0.00 0.00 60.65 59.58 3msp s ILE 41 Cb -0.31 -1.92 0.07 0.00 1.25 0.00 0.00 42.46 41.55 3msp s ILE 41 CO 0.36 -0.32 -0.01 -0.83 0.24 0.00 0.00 174.94 174.37 3msp s GLY 42 N -3.00 1.41 0.21 6.27 0.00 -0.79 -1.08 107.32 110.34 3msp s GLY 42 Ca 0.20 -1.67 0.05 0.00 0.00 0.00 0.00 44.72 43.30 3msp s GLY 42 CO 0.01 1.01 0.21 0.66 0.00 0.00 0.00 173.10 174.99 3msp s TRP 43 N 1.31 3.22 0.03 1.90 1.48 -0.81 -2.51 118.94 123.54 3msp s TRP 43 Ca -0.00 -0.04 -0.09 0.00 -1.06 0.00 0.00 56.10 54.91 3msp s TRP 43 Cb -0.19 -1.50 0.00 0.00 -1.16 0.00 0.00 33.47 30.63 3msp s TRP 43 CO -0.09 0.51 0.18 0.00 -4.06 0.00 0.00 176.95 173.48 3msp s ALA 44 N -1.93 -0.34 0.06 2.67 0.00 -0.60 -2.07 121.76 119.56 3msp s ALA 44 Ca 0.32 -0.25 0.10 0.00 0.00 0.00 0.00 51.96 52.13 3msp s ALA 44 Cb -0.09 0.23 -0.03 0.00 0.00 0.00 0.00 23.12 23.22 3msp s ALA 44 CO 0.25 -0.32 -0.26 0.42 0.00 0.00 0.00 175.76 175.85 3msp s ILE 45 N -2.23 2.18 -0.11 0.00 -1.09 -0.22 -1.97 121.20 117.75 3msp s ILE 45 Ca -0.08 -1.45 -0.08 0.00 -2.23 0.00 0.00 60.65 56.81 3msp s ILE 45 Cb -0.03 -1.87 0.04 0.00 -1.58 0.00 0.00 42.46 39.02 3msp s ILE 45 CO -0.02 0.32 0.28 -1.59 -1.23 0.00 0.00 174.94 172.70 3msp s LYS 46 N -1.39 0.28 0.16 2.79 -2.85 -0.87 -4.93 119.74 112.95 3msp s LYS 46 Ca 0.12 0.49 0.08 0.00 -1.00 0.00 0.00 55.97 55.66 3msp s LYS 46 Cb -0.10 0.02 -0.04 0.00 -2.06 0.00 0.00 37.83 35.65 3msp s LYS 46 CO 0.03 -0.10 -0.05 0.95 0.10 0.00 0.00 175.35 176.28 3msp s THR 47 N 0.74 3.49 0.58 3.79 -4.23 -1.26 -1.62 115.64 117.13 3msp s THR 47 Ca -0.05 -1.47 0.29 0.00 -1.18 0.00 0.00 61.69 59.27 3msp s THR 47 Cb -0.06 -2.72 0.38 0.00 1.34 0.00 0.00 72.50 71.43 3msp s THR 47 CO -0.05 -0.07 1.95 0.71 -0.54 0.00 0.00 174.62 176.62 3msp h THR 48 N 2.69 0.41 -2.75 3.99 1.35 -1.97 -3.36 112.91 113.27 3msp h THR 48 Ca -0.47 0.00 -0.30 0.00 -0.55 0.00 0.00 66.41 65.08 3msp h THR 48 Cb 1.20 0.67 -0.36 0.00 -1.73 0.00 0.00 68.15 67.93 3msp h THR 48 CO 0.56 0.00 -0.62 0.20 -0.25 0.00 0.00 175.52 175.41 3msp s ASN 49 N -5.41 1.11 -0.13 5.36 0.01 -1.26 -5.01 114.94 109.60 3msp s ASN 49 Ca -0.04 0.03 0.08 0.00 -0.71 0.00 0.00 52.86 52.21 3msp s ASN 49 Cb 0.16 0.37 0.47 0.00 0.41 0.00 0.00 41.25 42.65 3msp s ASN 49 CO 0.57 -0.29 1.21 0.23 -1.51 0.00 0.00 177.10 177.31 3msp n MET 50 N 5.32 3.21 -0.10 -0.60 2.81 -1.26 -3.36 117.12 123.15 3msp n MET 50 Ca -0.05 -1.79 -0.23 0.00 -1.81 0.00 0.00 57.70 53.82 3msp n MET 50 Cb 0.50 -1.93 -0.12 0.00 -0.71 0.00 0.00 33.22 30.96 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 0.36 0.64 -0.13 0.03 5.12 -1.26 -4.73 116.66 116.70 3msp n ARG 51 Ca 0.16 0.27 -0.26 0.00 -1.93 0.00 0.00 57.85 56.09 3msp n ARG 51 Cb 0.79 -1.59 -0.10 0.00 -1.16 0.00 0.00 32.46 30.40 3msp n ARG 51 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3msp n ARG 52 N -3.76 0.58 -2.40 5.56 3.00 -1.26 -4.97 116.66 113.40 3msp n ARG 52 Ca -0.43 0.36 -0.32 0.00 -0.01 0.00 0.00 57.85 57.44 3msp n ARG 52 Cb 0.93 -1.57 -0.03 0.00 0.00 0.00 0.00 32.46 31.79 3msp n ARG 52 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 3msp s LEU 53 N -7.65 3.65 -0.01 0.55 1.43 -1.21 -4.29 118.68 111.15 3msp s LEU 53 Ca -0.35 1.63 -0.21 0.00 -1.03 0.00 0.00 54.13 54.17 3msp s LEU 53 Cb 0.12 -4.52 0.04 0.00 0.03 0.00 0.00 46.19 41.86 3msp s LEU 53 CO 0.51 -0.65 0.47 -0.44 0.23 0.00 0.00 176.35 176.47 3msp s SER 54 N -2.88 -0.39 0.07 2.29 0.01 -0.47 -4.55 113.70 107.78 3msp s SER 54 Ca 0.60 0.29 0.04 0.00 1.31 0.00 0.00 55.95 58.19 3msp s SER 54 Cb -0.11 0.42 -0.03 0.00 0.21 0.00 0.00 66.02 66.52 3msp s SER 54 CO 0.29 -0.56 -0.11 -0.69 0.41 0.00 0.00 173.24 172.58 3msp s VAL 55 N -1.58 0.90 -0.30 3.43 1.01 -1.26 0.42 120.40 123.01 3msp s VAL 55 Ca -0.11 -1.28 -0.12 0.00 0.00 0.00 0.00 61.98 60.48 3msp s VAL 55 Cb -0.02 -0.96 0.17 0.00 0.00 0.00 0.00 36.38 35.56 3msp s VAL 55 CO 0.04 -0.33 0.90 -0.62 0.00 0.00 0.00 175.10 175.10 3msp s ASP 56 N -1.80 -0.74 0.28 3.32 -1.08 -0.93 -3.96 116.67 111.77 3msp s ASP 56 Ca -0.03 0.76 -0.29 0.00 -0.52 0.00 0.00 52.55 52.46 3msp s ASP 56 Cb -0.09 1.74 -0.10 0.00 -1.46 0.00 0.00 42.92 43.02 3msp s ASP 56 CO 0.01 -0.14 1.15 -2.84 0.52 0.00 0.00 175.17 173.88 3msp s PRO 57 N 2.70 4.56 0.09 4.34 0.02 -1.26 -2.10 135.00 143.35 3msp s PRO 57 Ca 0.01 1.90 0.00 0.00 0.02 0.00 0.00 61.00 62.94 3msp s PRO 57 Cb -0.09 -3.17 -0.25 0.00 0.02 0.00 0.00 34.50 31.01 3msp s PRO 57 CO -0.17 0.10 1.19 -1.00 -0.33 0.00 0.00 177.00 176.79 3msp h PRO 58 N 3.84 0.16 -4.16 5.54 0.13 -1.95 -3.45 132.00 132.11 3msp h PRO 58 Ca -0.47 -0.27 -0.15 0.00 -0.87 0.00 0.00 66.00 64.24 3msp h PRO 58 Cb 1.21 0.10 -0.18 0.00 0.13 0.00 0.00 31.00 32.27 3msp h PRO 58 CO 0.67 1.12 -0.69 0.00 -0.23 0.00 0.00 178.00 178.88 3msp n GLY 60 N 0.76 0.74 3.54 0.00 0.00 -0.88 -5.02 105.19 104.33 3msp n GLY 60 Ca -0.18 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.00 5.11 0.66 1.61 0.11 -1.26 -1.93 120.40 122.70 3msp s VAL 61 Ca 0.00 0.09 -0.08 0.00 -2.93 0.00 0.00 61.98 59.06 3msp s VAL 61 Cb 0.00 -3.89 0.03 0.00 -1.53 0.00 0.00 36.38 30.99 3msp s VAL 61 CO 0.00 -0.17 1.00 -0.76 -3.33 0.00 0.00 175.10 171.84 3msp s LEU 62 N 2.14 3.01 0.36 2.54 1.43 -0.24 -4.88 118.68 123.04 3msp s LEU 62 Ca 0.14 0.79 0.09 0.00 -1.03 0.00 0.00 54.13 54.11 3msp s LEU 62 Cb -0.16 -3.55 -0.07 0.00 0.03 0.00 0.00 46.19 42.45 3msp s LEU 62 CO 0.12 -1.30 -0.05 -1.81 0.23 0.00 0.00 176.35 173.54 3msp s ASP 63 N -4.38 3.86 -0.36 2.29 1.11 -1.26 -2.18 116.67 115.75 3msp s ASP 63 Ca 0.57 -1.20 -0.31 0.00 0.18 0.00 0.00 52.55 51.79 3msp s ASP 63 Cb -0.11 -0.39 -0.09 0.00 1.07 0.00 0.00 42.92 43.40 3msp s ASP 63 CO 0.47 -0.27 2.26 -0.81 1.18 0.00 0.00 175.17 178.00 3msp n PRO 64 N -0.87 1.32 -2.95 8.23 -0.04 -1.26 -1.12 135.00 138.31 3msp n PRO 64 Ca -0.05 0.31 -0.12 0.00 -0.04 0.00 0.00 63.50 63.61 3msp n PRO 64 Cb 0.64 -2.83 0.03 0.00 -0.04 0.00 0.00 33.50 31.31 3msp n PRO 64 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3msp n LYS 65 N 8.53 -3.60 -4.25 0.54 3.00 -0.86 -4.92 118.16 116.60 3msp n LYS 65 Ca 0.38 0.42 -0.26 0.00 -0.00 0.00 0.00 58.31 58.85 3msp n LYS 65 Cb 0.34 -4.21 -0.08 0.00 0.00 0.00 0.00 35.03 31.08 3msp n LYS 65 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 3msp s GLU 66 N -5.53 2.28 -0.03 1.64 0.41 -0.28 -4.94 118.70 112.25 3msp s GLU 66 Ca 0.26 -1.21 0.04 0.00 -0.41 0.00 0.00 54.97 53.64 3msp s GLU 66 Cb -0.11 -2.26 -0.00 0.00 -1.78 0.00 0.00 34.13 29.97 3msp s GLU 66 CO 0.32 0.43 -0.13 -1.59 -0.49 0.00 0.00 175.26 173.80 3msp s LYS 67 N -3.04 1.32 -0.10 1.61 -2.85 -1.26 -2.30 119.74 113.13 3msp s LYS 67 Ca 0.27 -0.47 0.03 0.00 -1.00 0.00 0.00 55.97 54.81 3msp s LYS 67 Cb -0.09 -1.20 0.00 0.00 -2.06 0.00 0.00 37.83 34.49 3msp s LYS 67 CO 0.18 0.20 -0.21 0.14 0.10 0.00 0.00 175.35 175.77 3msp s VAL 68 N 0.02 1.81 -0.14 1.79 -7.23 -0.53 -4.96 120.40 111.17 3msp s VAL 68 Ca -0.02 -0.87 -0.21 0.00 -1.81 0.00 0.00 61.98 59.08 3msp s VAL 68 Cb -0.09 -1.59 -0.03 0.00 0.56 0.00 0.00 36.38 35.23 3msp s VAL 68 CO 0.01 0.50 0.60 -0.22 -0.31 0.00 0.00 175.10 175.68 3msp s LEU 69 N 0.51 4.23 0.16 1.32 0.20 -1.26 -2.28 118.68 121.55 3msp s LEU 69 Ca -0.16 0.91 0.06 0.00 0.69 0.00 0.00 54.13 55.63 3msp s LEU 69 Cb -0.17 -2.87 -0.04 0.00 -0.43 0.00 0.00 46.19 42.67 3msp s LEU 69 CO 0.06 -0.15 -0.12 0.00 -0.29 0.00 0.00 176.35 175.85 3msp s MET 70 N 1.24 1.15 0.19 1.98 0.23 -1.05 -4.62 119.30 118.42 3msp s MET 70 Ca 0.30 -1.46 0.09 0.00 -1.03 0.00 0.00 55.69 53.59 3msp s MET 70 Cb -0.16 -0.84 -0.04 0.00 -1.53 0.00 0.00 34.83 32.25 3msp s MET 70 CO 0.12 0.13 -0.08 0.00 -2.03 0.00 0.00 175.02 173.17 3msp s ALA 71 N -2.99 2.99 -0.58 3.16 0.00 -0.89 -2.15 121.76 121.29 3msp s ALA 71 Ca 0.17 -1.50 0.04 0.00 0.00 0.00 0.00 51.96 50.68 3msp s ALA 71 Cb 0.00 -0.75 0.16 0.00 0.00 0.00 0.00 23.12 22.53 3msp s ALA 71 CO 0.03 0.44 0.40 0.08 0.00 0.00 0.00 175.76 176.70 3msp s VAL 72 N -1.81 2.12 0.25 0.00 1.01 -0.45 -2.18 120.40 119.35 3msp s VAL 72 Ca 0.26 -3.58 -0.30 0.00 0.00 0.00 0.00 61.98 58.35 3msp s VAL 72 Cb -0.08 -2.42 -0.14 0.00 0.00 0.00 0.00 36.38 33.74 3msp s VAL 72 CO 0.16 -1.01 1.29 -1.20 0.00 0.00 0.00 175.10 174.34 3msp n SER 73 N 2.52 2.33 -3.06 3.32 7.64 0.17 -3.43 113.62 123.10 3msp n SER 73 Ca 0.18 1.16 -0.12 0.00 1.01 0.00 0.00 58.87 61.10 3msp n SER 73 Cb 0.37 -1.38 -0.03 0.00 -1.01 0.00 0.00 64.21 62.15 3msp n SER 73 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3msp s ASP 75 N 0.78 5.02 0.99 0.00 -4.77 -1.26 -3.01 116.67 114.43 3msp s ASP 75 Ca 0.28 2.44 -0.13 0.00 -3.30 0.00 0.00 52.55 51.84 3msp s ASP 75 Cb -0.01 -2.60 0.10 0.00 -1.09 0.00 0.00 42.92 39.31 3msp s ASP 75 CO -0.09 -1.71 0.58 1.07 0.70 0.00 0.00 175.17 175.72 3msp n THR 76 N -1.70 0.00 -3.33 2.11 5.66 -1.26 -4.89 114.28 110.88 3msp n THR 76 Ca 0.14 -0.18 0.00 0.00 -3.05 0.00 0.00 64.05 60.96 3msp n THR 76 Cb 0.49 -0.74 0.00 0.00 -1.55 0.00 0.00 70.33 68.53 3msp n THR 76 CO 0.00 0.00 0.00 2.22 -3.05 0.00 0.00 175.07 174.24 3msp n PHE 77 N -4.00 -0.59 -3.59 1.09 -1.74 -1.20 -5.00 117.46 102.44 3msp n PHE 77 Ca 0.07 0.00 -0.40 0.00 -0.56 0.00 0.00 57.45 56.56 3msp n PHE 77 Cb 0.54 0.00 -0.11 0.00 1.52 0.00 0.00 39.48 41.43 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 -0.85 5.81 -0.19 5.98 -0.87 -1.26 -4.75 114.94 118.81 3msp s ASN 78 Ca 0.00 -0.56 0.08 0.00 -1.57 0.00 0.00 52.86 50.80 3msp s ASN 78 Cb 0.00 -2.07 0.52 0.00 -0.02 0.00 0.00 41.25 39.68 3msp s ASN 78 CO 0.00 -0.25 1.38 0.00 -2.57 0.00 0.00 177.10 175.66 3msp n ALA 79 N 5.04 3.66 -0.07 0.60 0.00 -1.26 -4.03 120.51 124.45 3msp n ALA 79 Ca -0.13 -1.39 -0.12 0.00 0.00 0.00 0.00 53.44 51.81 3msp n ALA 79 Cb 0.49 -1.13 -0.15 0.00 0.00 0.00 0.00 19.45 18.66 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 0.19 1.43 -2.94 0.00 0.00 -1.26 -4.66 120.51 113.27 3msp n ALA 80 Ca 0.23 -1.05 -0.14 0.00 0.00 0.00 0.00 53.44 52.48 3msp n ALA 80 Cb 0.96 -0.44 0.01 0.00 0.00 0.00 0.00 19.45 19.98 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 -2.98 0.24 -4.70 0.00 -2.24 -1.26 -5.11 114.28 98.24 3msp n THR 81 Ca -0.29 -3.63 -0.31 0.00 -2.27 0.00 0.00 64.05 57.55 3msp n THR 81 Cb 1.09 0.28 -0.07 0.00 -2.10 0.00 0.00 70.33 69.53 3msp n THR 81 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3msp s GLU 82 N -2.27 2.16 -1.04 -0.78 0.41 -1.26 -5.07 118.70 110.85 3msp s GLU 82 Ca 0.33 -2.38 -0.10 0.00 -0.41 0.00 0.00 54.97 52.41 3msp s GLU 82 Cb 0.38 -1.18 0.26 0.00 -1.78 0.00 0.00 34.13 31.82 3msp s GLU 82 CO -0.04 -0.46 1.02 0.16 -0.49 0.00 0.00 175.26 175.45 3msp s ASP 83 N -3.81 7.12 -0.69 -0.19 -4.77 -1.26 -4.90 116.67 108.16 3msp s ASP 83 Ca 0.08 -3.41 0.04 0.00 -3.30 0.00 0.00 52.55 45.97 3msp s ASP 83 Cb 0.01 -2.19 0.28 0.00 -1.09 0.00 0.00 42.92 39.92 3msp s ASP 83 CO 0.05 -0.34 0.91 0.18 0.70 0.00 0.00 175.17 176.67 3msp n LEU 84 N 2.96 4.33 0.04 2.11 4.77 -1.26 -4.80 117.00 125.15 3msp n LEU 84 Ca 0.21 -5.47 -0.04 0.00 -0.03 0.00 0.00 56.01 50.69 3msp n LEU 84 Cb 0.41 -0.73 -0.09 0.00 -2.33 0.00 0.00 43.42 40.67 3msp n LEU 84 CO 0.43 2.08 -0.13 0.78 -1.33 0.00 0.00 177.39 179.22 3msp h ASN 85 N 4.08 0.00 0.00 -1.43 4.21 -1.97 -3.48 115.58 117.00 3msp h ASN 85 Ca 0.20 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.71 3msp h ASN 85 Cb 0.61 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.81 3msp h ASN 85 CO 0.90 0.80 0.00 0.59 -1.29 0.00 0.00 177.43 178.43 3msp n ASN 86 N -3.11 0.00 -1.07 5.81 3.02 -1.26 -5.10 115.26 113.55 3msp n ASN 86 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.48 3msp n ASN 86 Cb 0.91 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.08 3msp n ASN 86 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3msp n ASP 87 N 0.00 -5.83 -3.67 6.41 2.03 -1.26 -2.65 116.55 111.57 3msp n ASP 87 Ca 0.00 1.16 -0.10 0.00 0.52 0.00 0.00 54.79 56.37 3msp n ASP 87 Cb 0.00 -3.07 -0.09 0.00 -0.72 0.00 0.00 41.12 37.24 3msp n ASP 87 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3msp s ARG 88 N -4.82 0.57 -0.50 -0.67 0.52 -1.26 -1.73 118.95 111.06 3msp s ARG 88 Ca 0.00 0.93 -0.15 0.00 -0.52 0.00 0.00 55.73 56.00 3msp s ARG 88 Cb 0.00 0.12 0.11 0.00 0.52 0.00 0.00 34.95 35.70 3msp s ARG 88 CO 0.00 -0.13 0.43 0.42 0.02 0.00 0.00 175.30 176.04 3msp s ILE 89 N 1.18 5.05 0.13 1.52 1.01 -1.03 -3.58 121.20 125.48 3msp s ILE 89 Ca -0.07 -1.37 -0.26 0.00 0.00 0.00 0.00 60.65 58.95 3msp s ILE 89 Cb -0.06 -4.16 -0.07 0.00 0.01 0.00 0.00 42.46 38.18 3msp s ILE 89 CO -0.11 -0.73 0.80 -0.89 0.00 0.00 0.00 174.94 174.00 3msp s THR 90 N 1.58 4.46 -0.14 2.92 2.01 -0.64 -2.19 115.64 123.64 3msp s THR 90 Ca 0.04 1.73 0.02 0.00 0.31 0.00 0.00 61.69 63.79 3msp s THR 90 Cb -0.27 -4.16 0.01 0.00 0.01 0.00 0.00 72.50 68.10 3msp s THR 90 CO 0.04 0.46 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.62 3msp s ILE 91 N -0.77 1.80 -0.24 1.82 1.01 -0.77 -2.04 121.20 122.01 3msp s ILE 91 Ca 0.38 -0.81 0.02 0.00 0.00 0.00 0.00 60.65 60.24 3msp s ILE 91 Cb -0.23 -1.63 0.05 0.00 0.01 0.00 0.00 42.46 40.67 3msp s ILE 91 CO 0.26 0.50 -0.13 -1.61 0.00 0.00 0.00 174.94 173.96 3msp s GLU 92 N 1.05 2.41 -0.08 2.79 2.02 -0.83 -1.76 118.70 124.30 3msp s GLU 92 Ca -0.03 -1.22 0.02 0.00 0.02 0.00 0.00 54.97 53.76 3msp s GLU 92 Cb -0.15 -2.81 0.01 0.00 0.10 0.00 0.00 34.13 31.29 3msp s GLU 92 CO -0.05 -0.48 -0.14 1.67 0.02 0.00 0.00 175.26 176.28 3msp s TRP 93 N 1.15 1.71 0.08 1.61 -2.14 -0.95 -1.55 118.94 118.84 3msp s TRP 93 Ca -0.06 -0.69 0.06 0.00 2.66 0.00 0.00 56.10 58.08 3msp s TRP 93 Cb -0.18 -1.23 -0.03 0.00 -3.10 0.00 0.00 33.47 28.92 3msp s TRP 93 CO -0.07 -0.34 -0.17 -0.08 -2.66 0.00 0.00 176.95 173.62 3msp s THR 94 N 0.72 1.40 0.52 0.66 -1.32 -1.05 -2.60 115.64 113.97 3msp s THR 94 Ca -0.13 -1.35 -0.20 0.00 -1.21 0.00 0.00 61.69 58.80 3msp s THR 94 Cb -0.16 -1.29 -0.08 0.00 -1.51 0.00 0.00 72.50 69.46 3msp s THR 94 CO 0.03 -0.09 0.83 0.59 -2.21 0.00 0.00 174.62 173.76 3msp n ASN 95 N 1.33 0.30 -4.75 8.08 3.02 -1.25 -1.89 115.26 120.11 3msp n ASN 95 Ca -0.20 0.87 -0.40 0.00 -0.03 0.00 0.00 54.58 54.82 3msp n ASN 95 Cb 0.54 -1.30 -0.05 0.00 -0.61 0.00 0.00 39.78 38.36 3msp n ASN 95 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3msp s THR 96 N -1.49 4.72 0.98 3.41 -4.23 -0.88 -4.79 115.64 113.35 3msp s THR 96 Ca 0.69 1.64 -0.13 0.00 -1.18 0.00 0.00 61.69 62.70 3msp s THR 96 Cb -0.48 -4.12 0.05 0.00 1.34 0.00 0.00 72.50 69.29 3msp s THR 96 CO 0.53 0.37 0.37 -2.65 -0.54 0.00 0.00 174.62 172.70 3msp n PRO 97 N 2.78 -0.50 -1.66 3.99 -0.02 -1.26 -4.75 135.00 133.58 3msp n PRO 97 Ca -0.02 -0.11 -0.52 0.00 -2.02 0.00 0.00 63.50 60.83 3msp n PRO 97 Cb 0.50 -1.85 -0.06 0.00 -0.02 0.00 0.00 33.50 32.08 3msp n PRO 97 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3msp n ASP 98 N -1.47 2.47 -3.98 2.55 5.75 -1.26 -0.79 116.55 119.82 3msp n ASP 98 Ca 0.06 1.07 -0.31 0.00 -0.01 0.00 0.00 54.79 55.60 3msp n ASP 98 Cb 0.55 -1.26 0.01 0.00 -1.03 0.00 0.00 41.12 39.39 3msp n ASP 98 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3msp n GLY 99 N 3.52 -0.46 3.77 6.12 0.00 -1.26 -4.90 105.19 111.98 3msp n GLY 99 Ca 0.21 0.17 -0.39 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.35 3.20 1.04 4.61 0.00 0.03 -4.98 121.76 122.31 3msp s ALA 100 Ca 0.61 1.17 -0.14 0.00 0.00 0.00 0.00 51.96 53.60 3msp s ALA 100 Cb -0.31 -3.46 0.11 0.00 0.00 0.00 0.00 23.12 19.45 3msp s ALA 100 CO 0.86 -0.79 0.43 0.00 0.00 0.00 0.00 175.76 176.26 3msp n ALA 101 N 0.02 -2.98 -2.26 0.00 0.00 -1.26 -4.85 120.51 109.19 3msp n ALA 101 Ca 0.04 -0.91 -0.42 0.00 0.00 0.00 0.00 53.44 52.15 3msp n ALA 101 Cb 0.44 -1.77 0.00 0.00 0.00 0.00 0.00 19.45 18.12 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 -2.55 3.56 0.00 0.00 2.85 -1.26 -4.82 118.16 115.94 3msp n LYS 102 Ca 0.05 -3.42 0.00 0.00 -1.05 0.00 0.00 58.31 53.89 3msp n LYS 102 Cb 0.56 -2.96 0.00 0.00 -0.65 0.00 0.00 35.03 31.99 3msp n LYS 102 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29 3msp n GLN 103 N 4.05 0.00 -1.64 -1.58 0.00 -1.26 -5.08 117.38 111.87 3msp n GLN 103 Ca 0.42 0.00 -0.40 0.00 -0.00 0.00 0.00 57.00 57.02 3msp n GLN 103 Cb 0.36 0.00 0.03 0.00 0.00 0.00 0.00 30.24 30.63 3msp n GLN 103 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 3msp n PHE 104 N -0.03 1.34 -4.16 3.69 -0.00 -1.26 -4.95 117.46 112.09 3msp n PHE 104 Ca 0.00 0.49 -0.17 0.00 -0.00 0.00 0.00 57.45 57.77 3msp n PHE 104 Cb 0.00 -2.24 -0.12 0.00 -0.00 0.00 0.00 39.48 37.12 3msp n PHE 104 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 3msp s ARG 105 N -2.38 0.78 0.11 -4.13 1.81 -1.26 -5.03 118.95 108.85 3msp s ARG 105 Ca 0.68 -0.95 0.17 0.00 -1.72 0.00 0.00 55.73 53.90 3msp s ARG 105 Cb -0.48 -0.71 -0.09 0.00 -0.45 0.00 0.00 34.95 33.21 3msp s ARG 105 CO 0.53 0.15 0.95 -0.09 -0.68 0.00 0.00 175.30 176.17 3msp h ARG 106 N 4.22 0.00 0.00 3.54 2.43 -2.01 -3.31 114.38 119.25 3msp h ARG 106 Ca -0.40 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.77 3msp h ARG 106 Cb 1.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 3msp h ARG 106 CO 0.42 0.33 0.00 0.39 -1.51 0.00 0.00 179.97 179.59 3msp n GLU 107 N -2.95 0.26 0.32 0.20 1.02 -1.26 -3.43 120.64 114.81 3msp n GLU 107 Ca -0.07 0.27 0.18 0.00 -0.02 0.00 0.00 57.16 57.52 3msp n GLU 107 Cb 0.81 -1.84 0.94 0.00 -0.02 0.00 0.00 31.44 31.33 3msp n GLU 107 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 3msp h TRP 108 N 0.00 0.00 -0.77 -0.32 6.55 -1.98 -1.03 115.95 118.40 3msp h TRP 108 Ca 0.00 0.00 -0.51 0.00 0.95 0.00 0.00 58.89 59.33 3msp h TRP 108 Cb 0.67 0.00 -0.23 0.00 -0.86 0.00 0.00 29.16 28.74 3msp h TRP 108 CO 0.00 0.00 0.66 1.19 -1.05 0.00 0.00 178.44 179.24 3msp n PHE 109 N -3.01 2.48 -2.13 0.49 3.01 -1.22 -4.02 117.46 113.06 3msp n PHE 109 Ca -0.02 -2.45 -0.05 0.00 1.01 0.00 0.00 57.45 55.94 3msp n PHE 109 Cb 0.29 -1.19 -0.04 0.00 -0.01 0.00 0.00 39.48 38.53 3msp n PHE 109 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 3msp n GLN 110 N -0.41 0.06 0.00 -1.08 6.02 -0.39 -5.13 117.38 116.45 3msp n GLN 110 Ca 0.48 -1.22 0.00 0.00 -0.01 0.00 0.00 57.00 56.25 3msp n GLN 110 Cb 0.71 0.38 0.00 0.00 1.02 0.00 0.00 30.24 32.36 3msp n GLN 110 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3msp n GLY 111 N 0.04 5.62 3.85 1.08 0.00 -1.26 -5.13 105.19 109.39 3msp n GLY 111 Ca -0.21 -1.46 -0.31 0.00 0.00 0.00 0.00 46.02 44.04 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 1.00 6.54 0.00 1.61 1.11 -1.26 -4.92 116.67 120.74 3msp s ASP 112 Ca 0.00 1.45 0.00 0.00 0.18 0.00 0.00 52.55 54.18 3msp s ASP 112 Cb 0.00 -2.46 0.00 0.00 1.07 0.00 0.00 42.92 41.53 3msp s ASP 112 CO 0.00 -0.59 0.00 0.61 1.18 0.00 0.00 175.17 176.37 3msp n GLY 113 N -1.72 0.06 2.98 0.21 0.00 -1.26 -4.96 105.19 100.50 3msp n GLY 113 Ca 0.06 -2.15 -0.12 0.00 0.00 0.00 0.00 46.02 43.81 3msp n GLY 113 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3msp s MET 114 N 0.00 0.33 -0.09 1.61 -1.94 -1.26 -4.99 119.30 112.96 3msp s MET 114 Ca 0.00 -0.49 0.04 0.00 -1.71 0.00 0.00 55.69 53.52 3msp s MET 114 Cb 0.00 -0.09 0.00 0.00 2.01 0.00 0.00 34.83 36.75 3msp s MET 114 CO 0.00 0.01 -0.21 0.08 -0.01 0.00 0.00 175.02 174.89 3msp s VAL 115 N -1.01 1.78 -0.13 -6.03 1.01 -1.26 -3.83 120.40 110.94 3msp s VAL 115 Ca -0.09 -0.86 -0.06 0.00 0.00 0.00 0.00 61.98 60.97 3msp s VAL 115 Cb -0.07 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 3msp s VAL 115 CO -0.00 0.50 0.08 -0.13 0.00 0.00 0.00 175.10 175.54 3msp s ARG 116 N 0.42 3.44 -0.29 2.72 0.52 -1.07 -4.99 118.95 119.70 3msp s ARG 116 Ca -0.17 -0.27 -0.01 0.00 -0.52 0.00 0.00 55.73 54.76 3msp s ARG 116 Cb -0.17 -3.07 0.09 0.00 0.52 0.00 0.00 34.95 32.31 3msp s ARG 116 CO 0.07 0.62 0.07 -0.98 0.02 0.00 0.00 175.30 175.11 3msp s ARG 117 N -0.62 0.82 0.51 3.54 1.70 -1.26 -2.25 118.95 121.40 3msp s ARG 117 Ca 0.12 -1.01 0.04 0.00 -0.47 0.00 0.00 55.73 54.41 3msp s ARG 117 Cb -0.12 -2.12 0.03 0.00 -0.57 0.00 0.00 34.95 32.17 3msp s ARG 117 CO 0.02 -0.90 0.71 0.21 -1.08 0.00 0.00 175.30 174.26 3msp s LYS 118 N 1.60 2.60 -0.07 3.89 2.20 -0.72 -4.90 119.74 124.33 3msp s LYS 118 Ca 0.07 -1.03 -0.03 0.00 -0.36 0.00 0.00 55.97 54.62 3msp s LYS 118 Cb -0.17 -2.60 0.04 0.00 -1.51 0.00 0.00 37.83 33.59 3msp s LYS 118 CO -0.20 -0.58 0.14 -0.80 -0.36 0.00 0.00 175.35 173.54 3msp s ASN 119 N -4.42 0.56 -0.46 1.43 0.01 -1.26 -1.85 114.94 108.95 3msp s ASN 119 Ca 0.57 0.28 -0.16 0.00 -0.71 0.00 0.00 52.86 52.84 3msp s ASN 119 Cb -0.10 0.18 0.06 0.00 0.41 0.00 0.00 41.25 41.81 3msp s ASN 119 CO 0.37 -0.22 0.40 -0.76 -1.51 0.00 0.00 177.10 175.38 3msp s LEU 120 N 1.95 5.45 0.36 0.60 1.02 -0.93 -4.92 118.68 122.21 3msp s LEU 120 Ca -0.00 -1.19 -0.29 0.00 0.02 0.00 0.00 54.13 52.67 3msp s LEU 120 Cb -0.12 -2.21 -0.11 0.00 0.02 0.00 0.00 46.19 43.77 3msp s LEU 120 CO -0.05 -0.63 1.53 -2.84 0.02 0.00 0.00 176.35 174.37 3msp s PRO 121 N 1.74 4.10 0.11 1.29 0.02 -1.26 -2.47 135.00 138.53 3msp s PRO 121 Ca 0.05 2.59 0.06 0.00 0.02 0.00 0.00 61.00 63.73 3msp s PRO 121 Cb -0.23 -2.98 -0.04 0.00 0.02 0.00 0.00 34.50 31.27 3msp s PRO 121 CO 0.08 -0.58 -0.04 0.42 -0.33 0.00 0.00 177.00 176.55 3msp s ILE 122 N -0.81 3.68 -0.02 2.83 -1.09 -0.71 -2.52 121.20 122.57 3msp s ILE 122 Ca 0.56 -1.19 -0.02 0.00 -2.23 0.00 0.00 60.65 57.77 3msp s ILE 122 Cb -0.47 -2.76 0.00 0.00 -1.58 0.00 0.00 42.46 37.65 3msp s ILE 122 CO 0.59 0.07 0.05 -1.61 -1.23 0.00 0.00 174.94 172.82 3msp s GLU 123 N -2.38 0.09 -0.61 2.79 2.02 -0.43 -4.45 118.70 115.73 3msp s GLU 123 Ca 0.24 0.02 -0.14 0.00 0.02 0.00 0.00 54.97 55.12 3msp s GLU 123 Cb -0.11 0.04 0.15 0.00 0.10 0.00 0.00 34.13 34.32 3msp s GLU 123 CO 0.16 -0.01 0.55 0.71 0.02 0.00 0.00 175.26 176.69 3msp s TYR 124 N -0.10 3.43 -0.84 1.61 1.51 -1.26 -0.28 117.35 121.42 3msp s TYR 124 Ca -0.01 -1.64 -0.25 0.00 -1.01 0.00 0.00 57.07 54.15 3msp s TYR 124 Cb -0.01 -3.73 0.01 0.00 -0.11 0.00 0.00 41.96 38.12 3msp s TYR 124 CO 0.00 -1.00 1.57 -0.80 -1.11 0.00 0.00 175.55 174.21 3msp s ASN 125 N 2.92 5.91 0.00 2.29 -0.87 -0.83 -4.99 114.94 119.36 3msp s ASN 125 Ca 0.08 -0.67 0.28 0.00 -1.57 0.00 0.00 52.86 50.98 3msp s ASN 125 Cb -0.23 -2.56 1.04 0.00 -0.02 0.00 0.00 41.25 39.48 3msp s ASN 125 CO -0.01 -2.01 1.74 0.18 -2.57 0.00 0.00 177.10 174.43