#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 7msf n SER 2 N 0.00 0.00 -0.39 0.00 2.88 -1.26 -5.04 113.62 109.81 7msf n SER 2 Ca 0.00 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.68 7msf n SER 2 Cb 0.00 0.00 0.60 0.00 -0.75 0.00 0.00 64.21 64.06 7msf n SER 2 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 7msf n ASN 3 N 0.00 1.20 -4.05 -3.46 0.23 -1.26 -4.55 115.26 103.37 7msf n ASN 3 Ca 0.00 -1.41 -0.43 0.00 -0.53 0.00 0.00 54.58 52.21 7msf n ASN 3 Cb 0.00 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 7msf n ASN 3 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 7msf n PHE 4 N -0.06 3.83 -4.45 -2.53 -0.00 -1.26 -4.91 117.46 108.09 7msf n PHE 4 Ca 0.20 -2.95 -0.23 0.00 -0.00 0.00 0.00 57.45 54.47 7msf n PHE 4 Cb 0.30 -2.38 -0.10 0.00 -0.00 0.00 0.00 39.48 37.30 7msf n PHE 4 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 7msf s THR 5 N 2.53 2.08 0.62 -2.13 -4.23 -1.26 -4.84 115.64 108.40 7msf s THR 5 Ca 0.46 -2.26 -0.15 0.00 -1.18 0.00 0.00 61.69 58.57 7msf s THR 5 Cb 0.08 -2.35 -0.02 0.00 1.34 0.00 0.00 72.50 71.55 7msf s THR 5 CO -0.02 -0.38 1.06 0.00 -0.54 0.00 0.00 174.62 174.75 7msf s GLN 6 N -3.61 3.20 0.19 3.99 -2.07 -1.26 -4.67 119.66 115.43 7msf s GLN 6 Ca 0.29 1.17 -0.16 0.00 -1.82 0.00 0.00 55.36 54.84 7msf s GLN 6 Cb -0.00 -2.02 0.02 0.00 -1.09 0.00 0.00 33.01 29.92 7msf s GLN 6 CO 0.13 -0.90 0.47 -0.59 -1.32 0.00 0.00 175.29 173.08 7msf s PHE 7 N -2.55 -0.01 -0.42 9.60 -0.71 -0.68 -5.01 117.98 118.20 7msf s PHE 7 Ca 0.63 -0.33 -0.24 0.00 -1.04 0.00 0.00 56.93 55.95 7msf s PHE 7 Cb -0.16 0.30 0.02 0.00 -1.21 0.00 0.00 43.02 41.97 7msf s PHE 7 CO 0.40 -0.87 0.83 0.08 -1.34 0.00 0.00 175.22 174.32 7msf s VAL 8 N -3.89 4.63 0.04 -2.49 1.01 -1.26 -1.52 120.40 116.93 7msf s VAL 8 Ca 0.11 0.69 -0.16 0.00 0.00 0.00 0.00 61.98 62.62 7msf s VAL 8 Cb -0.00 -4.31 -0.28 0.00 0.00 0.00 0.00 36.38 31.79 7msf s VAL 8 CO -0.03 -0.65 1.10 0.25 0.00 0.00 0.00 175.10 175.78 7msf h LEU 9 N 10.11 0.83 -7.70 3.92 5.85 -1.33 -3.43 115.31 123.55 7msf h LEU 9 Ca -0.24 -0.81 -0.61 0.00 0.84 0.00 0.00 57.88 57.06 7msf h LEU 9 Cb 1.09 -0.26 -0.38 0.00 0.37 0.00 0.00 40.66 41.48 7msf h LEU 9 CO 0.96 1.55 -0.80 -0.69 -0.34 0.00 0.00 178.44 179.13 7msf s VAL 10 N -3.02 1.53 -0.46 1.05 1.01 -0.89 -5.00 120.40 114.63 7msf s VAL 10 Ca -0.10 -1.06 -0.22 0.00 0.00 0.00 0.00 61.98 60.60 7msf s VAL 10 Cb 0.05 -1.70 0.03 0.00 0.00 0.00 0.00 36.38 34.76 7msf s VAL 10 CO 0.91 0.05 0.73 -0.62 0.00 0.00 0.00 175.10 176.17 7msf s ASP 11 N 1.42 6.36 -0.28 3.32 -1.08 -1.26 -1.54 116.67 123.60 7msf s ASP 11 Ca -0.03 -0.28 0.10 0.00 -0.52 0.00 0.00 52.55 51.81 7msf s ASP 11 Cb -0.17 -2.36 0.51 0.00 -1.46 0.00 0.00 42.92 39.44 7msf s ASP 11 CO -0.07 -0.88 1.46 0.59 0.52 0.00 0.00 175.17 176.79 7msf n ASN 12 N 6.55 2.60 -1.63 -0.34 3.02 -1.26 -4.94 115.26 119.25 7msf n ASN 12 Ca 0.00 -3.70 -0.06 0.00 -0.03 0.00 0.00 54.58 50.79 7msf n ASN 12 Cb 0.48 -0.63 0.03 0.00 -0.61 0.00 0.00 39.78 39.05 7msf n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 7msf n GLY 13 N -1.07 0.32 4.10 7.41 0.00 -1.26 -3.72 105.19 110.96 7msf n GLY 13 Ca 0.32 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.01 7msf n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 7msf n GLY 14 N -1.01 2.36 3.16 -0.02 0.00 -1.26 -4.93 105.19 103.50 7msf n GLY 14 Ca -0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 7msf n GLY 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 7msf s THR 15 N -0.22 2.88 0.00 2.61 -4.23 -1.24 -4.45 115.64 110.99 7msf s THR 15 Ca 0.00 -1.37 0.00 0.00 -1.18 0.00 0.00 61.69 59.14 7msf s THR 15 Cb 0.00 -2.64 0.00 0.00 1.34 0.00 0.00 72.50 71.20 7msf s THR 15 CO 0.00 -0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 7msf n GLY 16 N 4.61 0.86 3.74 3.99 0.00 -1.26 -4.72 105.19 112.40 7msf n GLY 16 Ca -0.14 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.29 7msf n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 7msf s ASP 17 N -2.16 6.82 -0.27 1.61 1.11 -1.26 -4.64 116.67 117.87 7msf s ASP 17 Ca 0.00 2.48 -0.12 0.00 0.18 0.00 0.00 52.55 55.08 7msf s ASP 17 Cb 0.00 -2.61 -0.05 0.00 1.07 0.00 0.00 42.92 41.33 7msf s ASP 17 CO 0.00 -0.59 0.25 -0.69 1.18 0.00 0.00 175.17 175.32 7msf s VAL 18 N 0.13 5.27 -0.03 -1.27 1.01 -0.59 -4.99 120.40 119.93 7msf s VAL 18 Ca 0.58 0.30 0.05 0.00 0.00 0.00 0.00 61.98 62.92 7msf s VAL 18 Cb -0.38 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 7msf s VAL 18 CO 0.39 0.23 -0.18 -0.89 0.00 0.00 0.00 175.10 174.65 7msf s THR 19 N 1.81 2.74 0.04 3.92 2.01 -1.26 -0.83 115.64 124.06 7msf s THR 19 Ca 0.10 -0.90 0.08 0.00 0.31 0.00 0.00 61.69 61.28 7msf s THR 19 Cb -0.16 -2.05 -0.03 0.00 0.01 0.00 0.00 72.50 70.27 7msf s THR 19 CO 0.10 0.55 -0.24 0.68 -0.69 0.00 0.00 174.62 175.02 7msf s VAL 20 N -0.73 2.32 0.11 3.82 -7.23 -0.57 -4.06 120.40 114.07 7msf s VAL 20 Ca 0.12 -1.30 0.06 0.00 -1.81 0.00 0.00 61.98 59.04 7msf s VAL 20 Cb -0.10 -1.92 -0.04 0.00 0.56 0.00 0.00 36.38 34.88 7msf s VAL 20 CO 0.01 0.38 -0.15 0.00 -0.31 0.00 0.00 175.10 175.03 7msf s ALA 21 N -0.82 1.50 0.16 1.32 0.00 -0.47 -1.68 121.76 121.77 7msf s ALA 21 Ca 0.12 -1.25 -0.34 0.00 0.00 0.00 0.00 51.96 50.50 7msf s ALA 21 Cb -0.10 -0.10 -0.15 0.00 0.00 0.00 0.00 23.12 22.77 7msf s ALA 21 CO 0.03 0.15 1.38 -2.30 0.00 0.00 0.00 175.76 175.01 7msf n PRO 22 N 0.71 1.61 0.00 0.00 -0.02 -1.26 -1.63 135.00 134.41 7msf n PRO 22 Ca -0.17 0.58 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 7msf n PRO 22 Cb 0.56 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.82 7msf n PRO 22 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 7msf n SER 23 N 2.56 1.00 -3.59 2.55 3.41 0.11 -4.86 113.62 114.79 7msf n SER 23 Ca 0.16 -0.09 -0.08 0.00 -0.26 0.00 0.00 58.87 58.60 7msf n SER 23 Cb 0.26 0.37 -0.05 0.00 -0.26 0.00 0.00 64.21 64.53 7msf n SER 23 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 7msf s ASN 24 N -0.57 -0.28 0.00 4.04 3.84 -1.13 -4.99 114.94 115.84 7msf s ASN 24 Ca 0.00 0.29 0.00 0.00 0.21 0.00 0.00 52.86 53.36 7msf s ASN 24 Cb 0.00 0.23 0.00 0.00 -0.55 0.00 0.00 41.25 40.93 7msf s ASN 24 CO 0.00 -0.27 0.88 0.33 -2.79 0.00 0.00 177.10 175.25 7msf n PHE 25 N 0.64 0.00 -1.96 0.43 -0.00 -1.26 -0.11 117.46 115.20 7msf n PHE 25 Ca -0.07 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 56.97 7msf n PHE 25 Cb 0.58 -0.04 -0.01 0.00 -0.00 0.00 0.00 39.48 40.01 7msf n PHE 25 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 7msf s ALA 26 N 0.00 3.55 -1.58 3.13 0.00 -1.26 -2.92 121.76 122.67 7msf s ALA 26 Ca 0.00 1.41 -0.04 0.00 0.00 0.00 0.00 51.96 53.33 7msf s ALA 26 Cb 0.00 -3.55 0.01 0.00 0.00 0.00 0.00 23.12 19.58 7msf s ALA 26 CO 0.00 -0.84 0.46 0.09 0.00 0.00 0.00 175.76 175.47 7msf n ASN 27 N 0.80 -5.89 -1.60 0.00 3.02 -1.26 -2.56 115.26 107.76 7msf n ASN 27 Ca 0.01 -0.22 -0.19 0.00 -0.03 0.00 0.00 54.58 54.15 7msf n ASN 27 Cb 0.40 -4.80 -0.07 0.00 -0.61 0.00 0.00 39.78 34.70 7msf n ASN 27 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 7msf n GLY 28 N -1.38 1.41 3.12 7.41 0.00 -1.15 -4.96 105.19 109.64 7msf n GLY 28 Ca -0.14 -0.10 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 7msf n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 7msf s VAL 29 N -2.76 2.90 0.25 1.61 1.01 -1.06 -4.67 120.40 117.69 7msf s VAL 29 Ca 0.00 -1.83 -0.30 0.00 0.00 0.00 0.00 61.98 59.86 7msf s VAL 29 Cb 0.00 -2.87 -0.10 0.00 0.00 0.00 0.00 36.38 33.41 7msf s VAL 29 CO 0.00 -0.40 1.33 0.00 0.00 0.00 0.00 175.10 176.02 7msf s ALA 30 N 1.14 3.54 0.00 5.51 0.00 -0.38 -4.03 121.76 127.53 7msf s ALA 30 Ca 0.02 1.19 0.02 0.00 0.00 0.00 0.00 51.96 53.19 7msf s ALA 30 Cb -0.21 -3.49 -0.01 0.00 0.00 0.00 0.00 23.12 19.42 7msf s ALA 30 CO -0.04 -0.59 -0.06 -2.00 0.00 0.00 0.00 175.76 173.07 7msf s GLU 31 N -0.71 0.48 0.09 0.00 2.12 0.84 -1.05 118.70 120.47 7msf s GLU 31 Ca 0.54 -0.27 0.07 0.00 0.36 0.00 0.00 54.97 55.68 7msf s GLU 31 Cb -0.38 -0.45 -0.03 0.00 0.26 0.00 0.00 34.13 33.52 7msf s GLU 31 CO 0.44 0.12 -0.18 -1.58 -0.54 0.00 0.00 175.26 173.52 7msf s TRP 32 N -0.26 1.55 0.04 5.30 0.51 0.47 0.07 118.94 126.63 7msf s TRP 32 Ca 0.01 -0.43 -0.10 0.00 -2.12 0.00 0.00 56.10 53.46 7msf s TRP 32 Cb -0.03 -0.86 0.00 0.00 -0.81 0.00 0.00 33.47 31.78 7msf s TRP 32 CO -0.00 0.14 0.20 0.96 -0.51 0.00 0.00 176.95 177.74 7msf s ILE 33 N -1.20 0.11 0.59 2.03 -4.36 -0.64 -1.50 121.20 116.23 7msf s ILE 33 Ca 0.03 -0.90 -0.13 0.00 -0.26 0.00 0.00 60.65 59.38 7msf s ILE 33 Cb -0.10 -0.95 -0.05 0.00 1.25 0.00 0.00 42.46 42.61 7msf s ILE 33 CO 0.03 -0.50 1.02 -0.94 0.24 0.00 0.00 174.94 174.79 7msf s SER 34 N -2.15 6.28 -0.67 4.36 1.04 -0.87 -1.37 113.70 120.32 7msf s SER 34 Ca -0.04 1.52 -0.20 0.00 0.48 0.00 0.00 55.95 57.71 7msf s SER 34 Cb -0.01 -2.49 -0.16 0.00 0.10 0.00 0.00 66.02 63.46 7msf s SER 34 CO -0.04 -0.83 1.88 -0.24 0.98 0.00 0.00 173.24 174.98 7msf n SER 35 N -2.30 2.59 -3.33 7.02 2.88 -1.26 -4.70 113.62 114.53 7msf n SER 35 Ca 0.07 -2.58 -0.20 0.00 -1.33 0.00 0.00 58.87 54.82 7msf n SER 35 Cb 0.54 -1.02 -0.07 0.00 -0.75 0.00 0.00 64.21 62.91 7msf n SER 35 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 7msf n ASN 36 N 7.10 -0.16 -4.77 -3.46 4.13 -1.26 -5.09 115.26 111.74 7msf n ASN 36 Ca 0.47 -3.11 -0.38 0.00 1.68 0.00 0.00 54.58 53.24 7msf n ASN 36 Cb 0.35 1.45 -0.03 0.00 -1.54 0.00 0.00 39.78 40.01 7msf n ASN 36 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 7msf s SER 37 N -3.30 6.71 0.57 6.41 1.04 -1.26 -4.78 113.70 119.09 7msf s SER 37 Ca 0.33 2.19 0.32 0.00 0.48 0.00 0.00 55.95 59.27 7msf s SER 37 Cb 0.02 -2.60 1.42 0.00 0.10 0.00 0.00 66.02 64.96 7msf s SER 37 CO 0.24 -0.54 1.76 -0.09 0.98 0.00 0.00 173.24 175.59 7msf h ARG 38 N 2.69 0.00 0.00 4.02 9.65 -1.97 0.21 114.38 128.98 7msf h ARG 38 Ca -0.48 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 58.35 7msf h ARG 38 Cb 1.22 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.80 7msf h ARG 38 CO 0.63 0.00 -0.24 0.66 2.80 0.00 0.00 179.97 183.81 7msf h SER 39 N 0.00 0.00 -0.08 -3.80 4.64 -1.89 -3.31 113.55 109.11 7msf h SER 39 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 7msf h SER 39 Cb 1.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.04 7msf h SER 39 CO -0.00 0.24 0.00 0.00 -0.87 0.00 0.00 176.83 176.20 7msf n GLN 40 N -3.19 2.90 -2.67 4.77 6.02 0.64 -3.96 117.38 121.89 7msf n GLN 40 Ca 0.02 -1.68 -0.32 0.00 -0.01 0.00 0.00 57.00 55.01 7msf n GLN 40 Cb 0.60 -1.09 -0.05 0.00 1.02 0.00 0.00 30.24 30.72 7msf n GLN 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 7msf s ALA 41 N -1.10 3.09 0.23 -1.58 0.00 -0.56 -4.83 121.76 117.02 7msf s ALA 41 Ca 0.07 0.24 -0.26 0.00 0.00 0.00 0.00 51.96 52.01 7msf s ALA 41 Cb 0.04 -3.08 -0.09 0.00 0.00 0.00 0.00 23.12 20.00 7msf s ALA 41 CO 0.04 -0.02 0.86 0.71 0.00 0.00 0.00 175.76 177.35 7msf s TYR 42 N -2.37 3.84 -0.03 0.00 1.51 -1.26 -4.64 117.35 114.40 7msf s TYR 42 Ca 0.59 1.72 0.02 0.00 -1.01 0.00 0.00 57.07 58.40 7msf s TYR 42 Cb -0.10 -2.85 0.01 0.00 -0.11 0.00 0.00 41.96 38.91 7msf s TYR 42 CO 0.22 0.40 -0.09 0.21 -1.11 0.00 0.00 175.55 175.18 7msf s LYS 43 N -1.50 1.08 -0.07 -0.62 2.20 -1.00 -2.05 119.74 117.78 7msf s LYS 43 Ca 0.42 -0.31 0.01 0.00 -0.36 0.00 0.00 55.97 55.73 7msf s LYS 43 Cb -0.22 -0.99 0.02 0.00 -1.51 0.00 0.00 37.83 35.13 7msf s LYS 43 CO 0.27 0.08 -0.09 0.08 -0.36 0.00 0.00 175.35 175.33 7msf s VAL 44 N 0.34 0.90 0.13 4.02 1.01 -0.56 -0.08 120.40 126.16 7msf s VAL 44 Ca -0.06 -0.31 0.06 0.00 0.00 0.00 0.00 61.98 61.67 7msf s VAL 44 Cb -0.10 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 7msf s VAL 44 CO 0.01 0.31 -0.13 0.42 0.00 0.00 0.00 175.10 175.71 7msf s THR 45 N 0.95 1.34 -0.15 3.92 -4.23 -0.02 -0.39 115.64 117.05 7msf s THR 45 Ca -0.10 -1.81 -0.21 0.00 -1.18 0.00 0.00 61.69 58.39 7msf s THR 45 Cb -0.15 -1.62 0.05 0.00 1.34 0.00 0.00 72.50 72.12 7msf s THR 45 CO 0.00 -0.48 0.54 0.00 -0.54 0.00 0.00 174.62 174.14 7msf s SER 47 N -0.23 -0.43 0.01 0.00 1.04 -0.62 -1.25 113.70 112.23 7msf s SER 47 Ca -0.04 0.37 0.06 0.00 0.48 0.00 0.00 55.95 56.83 7msf s SER 47 Cb -0.03 0.43 -0.02 0.00 0.10 0.00 0.00 66.02 66.50 7msf s SER 47 CO 0.03 -0.55 -0.19 -0.69 0.98 0.00 0.00 173.24 172.82 7msf s VAL 48 N -1.41 1.51 0.01 5.02 1.01 -1.26 -0.31 120.40 124.96 7msf s VAL 48 Ca -0.11 -0.96 -0.15 0.00 0.00 0.00 0.00 61.98 60.76 7msf s VAL 48 Cb -0.02 -1.28 0.02 0.00 0.00 0.00 0.00 36.38 35.10 7msf s VAL 48 CO 0.06 0.30 0.31 0.00 0.00 0.00 0.00 175.10 175.77 7msf s ARG 49 N -0.77 0.73 -1.04 2.72 1.70 -0.66 -4.98 118.95 116.65 7msf s ARG 49 Ca 0.07 -0.32 -0.19 0.00 -0.47 0.00 0.00 55.73 54.82 7msf s ARG 49 Cb -0.08 0.32 0.11 0.00 -0.57 0.00 0.00 34.95 34.74 7msf s ARG 49 CO 0.00 -0.22 1.33 -1.14 -1.08 0.00 0.00 175.30 174.20 7msf s GLN 50 N -1.83 3.73 0.07 3.89 2.00 -1.26 -0.45 119.66 125.80 7msf s GLN 50 Ca -0.10 -1.78 -0.24 0.00 -2.00 0.00 0.00 55.36 51.24 7msf s GLN 50 Cb -0.03 -5.12 -0.11 0.00 0.80 0.00 0.00 33.01 28.55 7msf s GLN 50 CO 0.01 -1.93 1.39 0.66 -0.50 0.00 0.00 175.29 174.91 7msf h SER 51 N 8.63 -1.08 -4.19 6.67 4.64 -1.85 -3.45 113.55 122.92 7msf h SER 51 Ca 0.23 0.11 -0.15 0.00 -0.47 0.00 0.00 61.79 61.50 7msf h SER 51 Cb 0.98 0.39 -0.01 0.00 -0.31 0.00 0.00 62.40 63.44 7msf h SER 51 CO 1.25 -0.41 -0.07 -1.54 -0.87 0.00 0.00 176.83 175.19 7msf n SER 52 N -4.55 1.37 0.24 4.97 3.41 -1.23 -4.98 113.62 112.84 7msf n SER 52 Ca -0.07 -1.50 0.13 0.00 -0.26 0.00 0.00 58.87 57.18 7msf n SER 52 Cb 0.30 -0.02 0.42 0.00 -0.26 0.00 0.00 64.21 64.65 7msf n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 7msf h ALA 53 N 0.69 0.98 0.00 7.33 0.00 -2.03 -3.28 119.26 122.95 7msf h ALA 53 Ca -0.09 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.74 7msf h ALA 53 Cb 0.34 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.12 7msf h ALA 53 CO 0.14 0.11 -0.03 1.04 0.00 0.00 0.00 179.25 180.51 7msf n GLN 54 N -3.17 1.89 -4.20 0.00 6.02 -1.26 -4.98 117.38 111.69 7msf n GLN 54 Ca 0.02 -1.85 -0.16 0.00 -0.01 0.00 0.00 57.00 55.00 7msf n GLN 54 Cb 0.44 -1.14 -0.11 0.00 1.02 0.00 0.00 30.24 30.44 7msf n GLN 54 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 7msf s ASN 55 N -1.72 1.63 -0.03 1.08 0.02 -1.24 -1.55 114.94 113.14 7msf s ASN 55 Ca 0.13 -0.79 0.04 0.00 -1.02 0.00 0.00 52.86 51.22 7msf s ASN 55 Cb 0.12 -0.02 -0.00 0.00 0.02 0.00 0.00 41.25 41.36 7msf s ASN 55 CO 0.01 -0.21 -0.14 -0.13 0.02 0.00 0.00 177.10 176.65 7msf s ARG 56 N -2.66 1.31 -0.09 -0.60 0.52 -0.23 -2.73 118.95 114.48 7msf s ARG 56 Ca 0.06 -0.49 0.04 0.00 -0.52 0.00 0.00 55.73 54.81 7msf s ARG 56 Cb -0.04 -1.21 0.00 0.00 0.52 0.00 0.00 34.95 34.22 7msf s ARG 56 CO 0.01 0.24 -0.21 0.21 0.02 0.00 0.00 175.30 175.57 7msf s LYS 57 N -0.08 2.62 -0.15 3.54 2.20 0.40 -0.69 119.74 127.59 7msf s LYS 57 Ca 0.00 -0.74 -0.06 0.00 -0.36 0.00 0.00 55.97 54.81 7msf s LYS 57 Cb -0.08 -2.03 -0.04 0.00 -1.51 0.00 0.00 37.83 34.17 7msf s LYS 57 CO 0.01 0.15 0.07 0.71 -0.36 0.00 0.00 175.35 175.92 7msf s TYR 58 N 0.41 3.32 -0.22 4.03 1.51 0.90 -1.66 117.35 125.64 7msf s TYR 58 Ca -0.17 0.22 0.02 0.00 -1.01 0.00 0.00 57.07 56.12 7msf s TYR 58 Cb -0.17 -1.98 0.05 0.00 -0.11 0.00 0.00 41.96 39.74 7msf s TYR 58 CO 0.07 0.37 -0.12 0.99 -1.11 0.00 0.00 175.55 175.75 7msf s THR 59 N -0.24 1.87 -0.04 -0.71 2.01 0.58 -0.93 115.64 118.17 7msf s THR 59 Ca 0.08 -1.21 0.06 0.00 0.31 0.00 0.00 61.69 60.93 7msf s THR 59 Cb -0.12 -1.92 -0.02 0.00 0.01 0.00 0.00 72.50 70.45 7msf s THR 59 CO 0.01 0.15 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.26 7msf s ILE 60 N 1.29 2.54 -0.00 1.82 1.01 -0.16 -1.59 121.20 126.10 7msf s ILE 60 Ca -0.03 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 59.72 7msf s ILE 60 Cb -0.17 -1.94 -0.00 0.00 0.01 0.00 0.00 42.46 40.35 7msf s ILE 60 CO -0.08 0.58 -0.05 -0.54 0.00 0.00 0.00 174.94 174.85 7msf s LYS 61 N -0.60 0.42 -0.02 2.79 1.02 -0.48 -1.08 119.74 121.80 7msf s LYS 61 Ca 0.09 -0.18 0.02 0.00 0.02 0.00 0.00 55.97 55.92 7msf s LYS 61 Cb -0.11 -0.40 0.00 0.00 -0.52 0.00 0.00 37.83 36.80 7msf s LYS 61 CO 0.00 0.10 -0.07 0.08 -0.92 0.00 0.00 175.35 174.54 7msf s VAL 62 N -0.09 0.63 -0.18 3.17 1.01 -0.57 -0.84 120.40 123.52 7msf s VAL 62 Ca 0.02 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.70 7msf s VAL 62 Cb -0.02 -0.56 0.03 0.00 0.00 0.00 0.00 36.38 35.83 7msf s VAL 62 CO -0.00 0.20 -0.14 -1.61 0.00 0.00 0.00 175.10 173.54 7msf s GLU 63 N 0.09 2.38 -0.32 2.72 2.02 0.89 -1.14 118.70 125.34 7msf s GLU 63 Ca -0.01 -0.80 -0.09 0.00 0.02 0.00 0.00 54.97 54.09 7msf s GLU 63 Cb -0.06 -2.41 0.01 0.00 0.10 0.00 0.00 34.13 31.77 7msf s GLU 63 CO -0.00 -0.33 0.13 0.08 0.02 0.00 0.00 175.26 175.16 7msf s VAL 64 N 1.37 4.31 0.30 2.63 1.01 -0.37 -2.39 120.40 127.26 7msf s VAL 64 Ca 0.02 -0.64 -0.06 0.00 0.00 0.00 0.00 61.98 61.30 7msf s VAL 64 Cb -0.15 -3.26 -0.05 0.00 0.00 0.00 0.00 36.38 32.92 7msf s VAL 64 CO -0.10 0.01 0.58 -2.16 0.00 0.00 0.00 175.10 173.43 7msf s PRO 65 N 1.55 3.66 -0.59 2.72 0.04 -1.26 -0.17 135.00 140.94 7msf s PRO 65 Ca 0.03 0.07 -0.06 0.00 0.04 0.00 0.00 61.00 61.09 7msf s PRO 65 Cb -0.18 -2.62 0.15 0.00 0.04 0.00 0.00 34.50 31.90 7msf s PRO 65 CO 0.05 0.19 0.43 0.21 0.04 0.00 0.00 177.00 177.91 7msf s LYS 66 N -3.56 2.59 0.43 4.56 2.47 -0.40 -4.97 119.74 120.86 7msf s LYS 66 Ca 0.45 -2.26 -0.26 0.00 -1.56 0.00 0.00 55.97 52.34 7msf s LYS 66 Cb -0.11 -3.84 -0.09 0.00 -1.46 0.00 0.00 37.83 32.34 7msf s LYS 66 CO 0.30 -1.18 1.42 0.14 0.16 0.00 0.00 175.35 176.19 7msf s VAL 67 N 0.44 2.15 0.21 4.02 -7.23 -1.26 0.85 120.40 119.57 7msf s VAL 67 Ca 0.13 0.14 -0.20 0.00 -1.81 0.00 0.00 61.98 60.25 7msf s VAL 67 Cb -0.20 -3.08 0.04 0.00 0.56 0.00 0.00 36.38 33.69 7msf s VAL 67 CO -0.04 0.02 0.59 0.00 -0.31 0.00 0.00 175.10 175.36 7msf s ALA 68 N -1.20 -1.17 -0.31 1.32 0.00 -0.24 -4.69 121.76 115.48 7msf s ALA 68 Ca 0.59 -0.06 0.01 0.00 0.00 0.00 0.00 51.96 52.49 7msf s ALA 68 Cb -0.43 0.86 0.07 0.00 0.00 0.00 0.00 23.12 23.62 7msf s ALA 68 CO 0.56 -0.85 -0.00 0.99 0.00 0.00 0.00 175.76 176.46 7msf s THR 69 N -3.85 2.62 0.12 0.00 2.01 -1.26 -0.95 115.64 114.32 7msf s THR 69 Ca 0.08 -1.73 -0.06 0.00 0.31 0.00 0.00 61.69 60.29 7msf s THR 69 Cb -0.02 -2.63 -0.06 0.00 0.01 0.00 0.00 72.50 69.80 7msf s THR 69 CO -0.03 -0.24 0.38 -1.58 -0.69 0.00 0.00 174.62 172.45 7msf s GLN 70 N 1.12 3.64 -0.51 4.92 0.74 -0.70 -4.87 119.66 124.00 7msf s GLN 70 Ca -0.02 -0.04 -0.07 0.00 0.05 0.00 0.00 55.36 55.28 7msf s GLN 70 Cb -0.20 -2.88 0.13 0.00 1.10 0.00 0.00 33.01 31.16 7msf s GLN 70 CO -0.04 0.49 0.37 0.99 -0.55 0.00 0.00 175.29 176.55 7msf s THR 71 N -1.60 4.07 -0.27 -0.34 2.01 -1.26 -0.59 115.64 117.67 7msf s THR 71 Ca 0.39 -2.06 -0.08 0.00 0.31 0.00 0.00 61.69 60.25 7msf s THR 71 Cb -0.12 -3.68 -0.02 0.00 0.01 0.00 0.00 72.50 68.68 7msf s THR 71 CO 0.23 -0.80 0.09 -0.69 -0.69 0.00 0.00 174.62 172.77 7msf s VAL 72 N 1.02 4.37 -1.26 3.82 1.01 -0.13 -4.48 120.40 124.75 7msf s VAL 72 Ca 0.09 -0.27 -0.02 0.00 0.00 0.00 0.00 61.98 61.78 7msf s VAL 72 Cb -0.24 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.04 7msf s VAL 72 CO -0.02 0.25 0.24 0.61 0.00 0.00 0.00 175.10 176.17 7msf n GLY 73 N 4.93 -0.25 2.97 4.51 0.00 -1.26 -2.32 105.19 113.77 7msf n GLY 73 Ca -0.15 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.71 7msf n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 7msf n GLY 74 N -1.18 1.05 3.54 -0.02 0.00 -1.26 -5.02 105.19 102.30 7msf n GLY 74 Ca -0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.56 7msf n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 7msf s VAL 75 N -3.95 3.41 -0.11 1.61 1.01 -0.98 -5.08 120.40 116.30 7msf s VAL 75 Ca 0.00 -0.68 -0.20 0.00 0.00 0.00 0.00 61.98 61.10 7msf s VAL 75 Cb 0.00 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 7msf s VAL 75 CO 0.00 0.53 0.57 -1.61 0.00 0.00 0.00 175.10 174.59 7msf s GLU 76 N -0.96 4.35 0.03 2.72 2.02 -1.26 -0.95 118.70 124.65 7msf s GLU 76 Ca 0.13 0.60 0.04 0.00 0.02 0.00 0.00 54.97 55.77 7msf s GLU 76 Cb -0.11 -3.46 -0.02 0.00 0.10 0.00 0.00 34.13 30.64 7msf s GLU 76 CO 0.03 0.07 -0.13 -0.51 0.02 0.00 0.00 175.26 174.74 7msf s LEU 77 N 0.85 2.14 -0.15 1.80 1.43 0.24 -4.99 118.68 120.01 7msf s LEU 77 Ca 0.30 -0.41 -0.29 0.00 -1.03 0.00 0.00 54.13 52.70 7msf s LEU 77 Cb -0.16 -0.58 -0.01 0.00 0.03 0.00 0.00 46.19 45.47 7msf s LEU 77 CO 0.13 0.05 1.12 -2.16 0.23 0.00 0.00 176.35 175.71 7msf s PRO 78 N -0.97 4.31 0.23 1.29 0.04 -1.26 -1.72 135.00 136.91 7msf s PRO 78 Ca 0.02 1.50 0.05 0.00 0.04 0.00 0.00 61.00 62.61 7msf s PRO 78 Cb -0.07 -3.63 -0.02 0.00 0.04 0.00 0.00 34.50 30.82 7msf s PRO 78 CO 0.01 -0.54 0.17 1.33 0.04 0.00 0.00 177.00 178.01 7msf n VAL 79 N 5.02 0.00 -4.14 -0.36 0.24 -0.13 -4.69 118.33 114.27 7msf n VAL 79 Ca 0.12 -1.60 -0.33 0.00 -2.04 0.00 0.00 64.34 60.48 7msf n VAL 79 Cb 0.46 0.77 -0.16 0.00 -1.47 0.00 0.00 33.84 33.44 7msf n VAL 79 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 7msf s ALA 80 N -2.87 2.37 0.21 2.33 0.00 -1.25 -1.08 121.76 121.47 7msf s ALA 80 Ca 0.25 -1.20 -0.09 0.00 0.00 0.00 0.00 51.96 50.91 7msf s ALA 80 Cb 0.01 -1.22 0.28 0.00 0.00 0.00 0.00 23.12 22.20 7msf s ALA 80 CO 0.17 -0.33 1.77 0.00 0.00 0.00 0.00 175.76 177.37 7msf h ALA 81 N 7.91 0.87 -2.80 0.00 0.00 0.17 -3.46 119.26 121.95 7msf h ALA 81 Ca -0.45 0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.59 7msf h ALA 81 Cb 1.15 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 7msf h ALA 81 CO 0.63 -0.08 0.35 1.67 0.00 0.00 0.00 179.25 181.82 7msf s TRP 82 N -6.08 -0.02 0.02 0.00 1.48 -1.25 -5.02 118.94 108.07 7msf s TRP 82 Ca -0.13 -0.48 0.01 0.00 -1.06 0.00 0.00 56.10 54.45 7msf s TRP 82 Cb 0.17 0.74 -0.02 0.00 -1.16 0.00 0.00 33.47 33.21 7msf s TRP 82 CO 0.75 -1.23 -0.05 1.03 -4.06 0.00 0.00 176.95 173.39 7msf s ARG 83 N -2.93 0.38 -0.16 3.25 0.52 -1.26 -1.28 118.95 117.47 7msf s ARG 83 Ca 0.15 -0.52 -0.07 0.00 -0.52 0.00 0.00 55.73 54.77 7msf s ARG 83 Cb -0.04 -0.15 -0.04 0.00 0.52 0.00 0.00 34.95 35.23 7msf s ARG 83 CO 0.07 0.02 0.06 0.45 0.02 0.00 0.00 175.30 175.93 7msf s SER 84 N -1.09 5.62 -0.16 0.23 0.15 0.76 -4.94 113.70 114.27 7msf s SER 84 Ca -0.08 0.12 -0.01 0.00 0.70 0.00 0.00 55.95 56.67 7msf s SER 84 Cb -0.07 -1.91 -0.01 0.00 -1.71 0.00 0.00 66.02 62.32 7msf s SER 84 CO -0.00 0.22 -0.10 -0.31 1.20 0.00 0.00 173.24 174.25 7msf s TYR 85 N 0.08 2.87 -0.21 3.44 1.51 -1.26 -1.23 117.35 122.55 7msf s TYR 85 Ca 0.05 -0.75 -0.04 0.00 -1.01 0.00 0.00 57.07 55.32 7msf s TYR 85 Cb -0.12 -1.93 -0.01 0.00 -0.11 0.00 0.00 41.96 39.79 7msf s TYR 85 CO 0.01 -0.32 -0.04 -1.17 -1.11 0.00 0.00 175.55 172.91 7msf s LEU 86 N 0.72 2.94 -0.15 -1.29 2.96 -0.29 -5.00 118.68 118.56 7msf s LEU 86 Ca -0.05 -0.35 0.00 0.00 -0.22 0.00 0.00 54.13 53.51 7msf s LEU 86 Cb -0.15 -1.74 0.03 0.00 0.50 0.00 0.00 46.19 44.82 7msf s LEU 86 CO 0.02 0.02 -0.13 0.21 -1.32 0.00 0.00 176.35 175.14 7msf s ASN 87 N 1.27 2.74 0.01 3.68 3.84 -1.26 -1.51 114.94 123.71 7msf s ASN 87 Ca 0.03 -0.53 0.04 0.00 0.21 0.00 0.00 52.86 52.61 7msf s ASN 87 Cb -0.14 -1.16 -0.01 0.00 -0.55 0.00 0.00 41.25 39.38 7msf s ASN 87 CO -0.01 -0.07 -0.11 0.00 -2.79 0.00 0.00 177.10 174.11 7msf s MET 88 N 1.49 0.85 -0.06 0.43 0.23 -0.24 -5.03 119.30 116.97 7msf s MET 88 Ca 0.04 -0.53 0.03 0.00 -1.03 0.00 0.00 55.69 54.21 7msf s MET 88 Cb -0.13 -0.82 0.01 0.00 -1.53 0.00 0.00 34.83 32.36 7msf s MET 88 CO -0.10 0.21 -0.15 -1.21 -2.03 0.00 0.00 175.02 171.74 7msf s GLU 89 N -0.63 1.93 -0.16 3.16 2.02 -1.26 -0.99 118.70 122.77 7msf s GLU 89 Ca 0.02 -0.54 0.01 0.00 0.02 0.00 0.00 54.97 54.47 7msf s GLU 89 Cb -0.06 -1.58 0.02 0.00 0.10 0.00 0.00 34.13 32.62 7msf s GLU 89 CO 0.00 0.11 -0.15 -1.17 0.02 0.00 0.00 175.26 174.08 7msf s LEU 90 N 0.42 1.83 -0.27 1.80 2.96 -0.11 -4.96 118.68 120.36 7msf s LEU 90 Ca -0.12 -0.56 -0.07 0.00 -0.22 0.00 0.00 54.13 53.16 7msf s LEU 90 Cb -0.15 -1.23 -0.01 0.00 0.50 0.00 0.00 46.19 45.30 7msf s LEU 90 CO 0.04 -0.06 0.06 -0.89 -1.32 0.00 0.00 176.35 174.19 7msf s THR 91 N 1.45 4.05 -0.08 3.68 2.01 -1.26 -0.07 115.64 125.41 7msf s THR 91 Ca 0.04 -0.44 0.04 0.00 0.31 0.00 0.00 61.69 61.64 7msf s THR 91 Cb -0.13 -2.98 -0.01 0.00 0.01 0.00 0.00 72.50 69.39 7msf s THR 91 CO -0.11 0.23 -0.22 -0.63 -0.69 0.00 0.00 174.62 173.20 7msf s ILE 92 N 1.55 2.26 0.45 1.82 1.01 0.13 -4.94 121.20 123.47 7msf s ILE 92 Ca 0.05 -0.97 -0.23 0.00 0.00 0.00 0.00 60.65 59.49 7msf s ILE 92 Cb -0.16 -1.86 -0.08 0.00 0.01 0.00 0.00 42.46 40.38 7msf s ILE 92 CO 0.02 0.56 1.16 -2.16 0.00 0.00 0.00 174.94 174.53 7msf s PRO 93 N 0.07 3.81 0.27 2.79 0.04 -1.26 -1.07 135.00 139.65 7msf s PRO 93 Ca -0.10 1.77 0.19 0.00 0.04 0.00 0.00 61.00 62.91 7msf s PRO 93 Cb -0.15 -2.45 1.01 0.00 0.04 0.00 0.00 34.50 32.95 7msf s PRO 93 CO 0.06 -0.51 1.60 0.44 0.04 0.00 0.00 177.00 178.63 7msf n ILE 94 N -0.40 1.11 1.43 0.56 -5.35 -0.60 -1.43 119.36 114.68 7msf n ILE 94 Ca 0.07 0.63 0.14 0.00 -0.27 0.00 0.00 62.75 63.32 7msf n ILE 94 Cb 0.48 -1.62 0.65 0.00 -1.74 0.00 0.00 39.64 37.41 7msf n ILE 94 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 7msf n PHE 95 N -2.16 0.00 -2.34 4.28 3.72 -1.26 -4.84 117.46 114.86 7msf n PHE 95 Ca -0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.97 7msf n PHE 95 Cb 0.06 -0.20 -0.03 0.00 -0.94 0.00 0.00 39.48 38.37 7msf n PHE 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 7msf s ALA 96 N -2.49 3.52 0.94 4.37 0.00 -0.51 -5.02 121.76 122.56 7msf s ALA 96 Ca 0.29 0.80 -0.14 0.00 0.00 0.00 0.00 51.96 52.91 7msf s ALA 96 Cb 0.20 -3.54 0.20 0.00 0.00 0.00 0.00 23.12 19.98 7msf s ALA 96 CO 0.47 -0.75 1.29 0.95 0.00 0.00 0.00 175.76 177.71 7msf s THR 97 N 2.01 2.01 0.19 0.00 -4.23 -1.26 -4.86 115.64 109.50 7msf s THR 97 Ca 0.60 -0.09 -0.08 0.00 -1.18 0.00 0.00 61.69 60.93 7msf s THR 97 Cb -0.29 -2.92 0.09 0.00 1.34 0.00 0.00 72.50 70.72 7msf s THR 97 CO 0.26 0.00 1.67 0.78 -0.54 0.00 0.00 174.62 176.79 7msf h ASN 98 N -1.53 1.05 -0.85 3.99 2.35 -1.99 -1.68 115.58 116.92 7msf h ASN 98 Ca -0.43 -0.27 -0.02 0.00 -0.55 0.00 0.00 56.30 55.02 7msf h ASN 98 Cb 1.23 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 39.28 7msf h ASN 98 CO 0.36 1.07 0.44 0.77 -1.65 0.00 0.00 177.43 178.42 7msf h SER 99 N 1.01 1.09 -0.75 5.81 4.64 -1.99 0.11 113.55 123.46 7msf h SER 99 Ca 0.19 -0.12 0.06 0.00 -0.47 0.00 0.00 61.79 61.45 7msf h SER 99 Cb 0.50 -0.28 -0.06 0.00 -0.31 0.00 0.00 62.40 62.25 7msf h SER 99 CO 0.02 0.90 0.45 0.44 -0.87 0.00 0.00 176.83 177.77 7msf h ASP 100 N 1.20 0.69 -0.04 4.97 3.32 -1.78 -1.84 116.42 122.95 7msf h ASP 100 Ca 0.30 0.02 -0.15 0.00 0.02 0.00 0.00 57.03 57.22 7msf h ASP 100 Cb 0.07 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 7msf h ASP 100 CO -0.04 0.45 -0.48 0.00 -1.72 0.00 0.00 179.24 177.44 7msf h GLU 102 N 0.47 0.48 -0.37 0.00 5.08 -0.25 -1.02 114.58 118.97 7msf h GLU 102 Ca 0.02 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 7msf h GLU 102 Cb 1.02 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 7msf h GLU 102 CO 0.09 0.41 0.25 1.25 -1.00 0.00 0.00 179.01 180.01 7msf h LEU 103 N 0.48 0.42 0.05 1.33 5.85 -1.06 0.53 115.31 122.92 7msf h LEU 103 Ca 0.12 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 7msf h LEU 103 Cb 0.12 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.04 7msf h LEU 103 CO -0.01 0.31 -0.03 0.40 -0.34 0.00 0.00 178.44 178.76 7msf h ILE 104 N 0.50 0.93 -0.65 4.05 2.04 -1.06 -0.22 117.51 123.11 7msf h ILE 104 Ca 0.14 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.05 7msf h ILE 104 Cb -0.06 0.93 -0.05 0.00 -0.74 0.00 0.00 36.82 36.90 7msf h ILE 104 CO -0.03 0.00 0.36 0.58 0.00 0.00 0.00 178.15 179.06 7msf h VAL 105 N -0.09 0.97 -0.38 1.67 2.07 -0.91 -1.10 116.25 118.49 7msf h VAL 105 Ca -0.00 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 7msf h VAL 105 Cb 0.07 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.07 7msf h VAL 105 CO 0.00 0.12 0.23 0.11 0.02 0.00 0.00 177.57 178.06 7msf h LYS 106 N 0.67 0.51 -0.79 1.57 1.57 -0.58 -1.27 116.57 118.26 7msf h LYS 106 Ca 0.29 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 59.06 7msf h LYS 106 Cb 0.17 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.32 7msf h LYS 106 CO -0.17 0.38 0.50 0.00 -0.57 0.00 0.00 179.45 179.58 7msf h ALA 107 N 1.11 1.04 -0.57 3.86 0.00 -0.32 0.12 119.26 124.49 7msf h ALA 107 Ca 0.14 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 7msf h ALA 107 Cb -0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 7msf h ALA 107 CO -0.03 0.29 0.09 0.52 0.00 0.00 0.00 179.25 180.12 7msf h MET 108 N 0.96 0.92 -0.33 0.00 2.86 -0.89 0.79 114.93 119.23 7msf h MET 108 Ca 0.32 -0.22 -0.06 0.00 -2.06 0.00 0.00 59.70 57.68 7msf h MET 108 Cb 0.04 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.57 7msf h MET 108 CO -0.12 0.86 -0.02 1.96 1.06 0.00 0.00 176.91 180.65 7msf h GLN 109 N 0.87 0.59 -0.60 1.72 4.20 -0.39 -2.99 115.11 118.50 7msf h GLN 109 Ca 0.18 -0.20 -0.08 0.00 0.06 0.00 0.00 58.65 58.61 7msf h GLN 109 Cb 0.39 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 7msf h GLN 109 CO 0.01 0.73 0.05 0.78 -0.67 0.00 0.00 178.83 179.73 7msf h GLY 110 N 0.39 1.08 0.40 3.46 0.00 -0.50 -2.42 103.07 105.47 7msf h GLY 110 Ca 0.09 -0.73 0.15 0.00 0.00 0.00 0.00 47.33 46.84 7msf h GLY 110 CO 0.02 0.68 0.61 -2.00 0.00 0.00 0.00 176.54 175.85 7msf h LEU 111 N 0.93 0.81 -2.78 3.11 5.85 -0.71 -2.47 115.31 120.05 7msf h LEU 111 Ca 0.18 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.96 7msf h LEU 111 Cb 0.47 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.40 7msf h LEU 111 CO 0.02 0.39 0.00 0.18 -0.34 0.00 0.00 178.44 178.69 7msf n LEU 112 N -4.63 3.68 -4.77 2.25 4.77 -1.07 -4.40 117.00 112.83 7msf n LEU 112 Ca 0.20 -1.99 -0.40 0.00 -0.03 0.00 0.00 56.01 53.78 7msf n LEU 112 Cb 0.45 -0.42 0.01 0.00 -2.33 0.00 0.00 43.42 41.13 7msf n LEU 112 CO 0.26 0.92 1.05 -0.75 -1.33 0.00 0.00 177.39 177.55 7msf s LYS 113 N -1.00 3.79 0.19 3.23 2.20 -0.93 -4.81 119.74 122.40 7msf s LYS 113 Ca 0.42 2.38 -0.33 0.00 -0.36 0.00 0.00 55.97 58.08 7msf s LYS 113 Cb 0.22 -2.71 -0.14 0.00 -1.51 0.00 0.00 37.83 33.69 7msf s LYS 113 CO 0.29 -0.72 1.45 -0.25 -0.36 0.00 0.00 175.35 175.76 7msf n ASP 114 N -0.06 2.70 0.00 1.43 8.00 -1.26 -1.70 116.55 125.66 7msf n ASP 114 Ca 0.04 1.12 0.00 0.00 0.71 0.00 0.00 54.79 56.66 7msf n ASP 114 Cb 0.42 -1.39 0.00 0.00 -0.02 0.00 0.00 41.12 40.13 7msf n ASP 114 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 7msf n GLY 115 N 2.69 3.42 3.83 0.44 0.00 -1.26 -5.06 105.19 109.25 7msf n GLY 115 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 7msf n GLY 115 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 7msf s ASN 116 N -0.84 5.99 0.04 1.61 0.01 -0.69 -4.88 114.94 116.16 7msf s ASN 116 Ca 0.00 1.63 -0.08 0.00 -0.71 0.00 0.00 52.86 53.70 7msf s ASN 116 Cb 0.00 -2.51 -0.02 0.00 0.41 0.00 0.00 41.25 39.13 7msf s ASN 116 CO 0.00 -1.03 1.13 -0.65 -1.51 0.00 0.00 177.10 175.04 7msf h PRO 117 N 0.14 -0.04 -0.11 -0.60 0.11 -1.89 -2.33 132.00 127.28 7msf h PRO 117 Ca -0.46 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.70 7msf h PRO 117 Cb 1.20 0.01 -0.06 0.00 0.11 0.00 0.00 31.00 32.26 7msf h PRO 117 CO 0.59 -0.03 -0.40 0.82 -0.21 0.00 0.00 178.00 178.77 7msf h ILE 118 N -0.04 0.17 -0.26 4.15 2.04 -1.95 -0.37 117.51 121.25 7msf h ILE 118 Ca 0.03 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.91 7msf h ILE 118 Cb 0.12 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.36 7msf h ILE 118 CO -0.19 0.00 0.17 1.55 0.00 0.00 0.00 178.15 179.69 7msf h PRO 119 N -0.49 0.28 -0.05 2.37 0.13 -1.76 -1.70 132.00 130.79 7msf h PRO 119 Ca 0.08 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 65.19 7msf h PRO 119 Cb 0.62 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.68 7msf h PRO 119 CO -0.38 0.19 0.02 0.77 -0.23 0.00 0.00 178.00 178.37 7msf h SER 120 N 0.29 0.07 0.06 1.44 0.02 -0.68 -1.34 113.55 113.41 7msf h SER 120 Ca 0.10 -0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 60.87 7msf h SER 120 Cb 0.06 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.58 7msf h SER 120 CO -0.02 0.23 -0.03 0.00 -1.14 0.00 0.00 176.83 175.87 7msf h ALA 121 N 0.84 -0.08 -0.07 3.77 0.00 -0.67 -1.84 119.26 121.21 7msf h ALA 121 Ca 0.02 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 54.94 7msf h ALA 121 Cb 0.18 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 7msf h ALA 121 CO -0.00 -0.55 -0.20 0.82 0.00 0.00 0.00 179.25 179.32 7msf h ILE 122 N -0.08 0.51 0.00 0.00 2.04 -1.28 -0.89 117.51 117.81 7msf h ILE 122 Ca -0.01 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 7msf h ILE 122 Cb 0.06 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 36.66 7msf h ILE 122 CO 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 178.15 178.16 7msf h ALA 123 N 0.66 1.03 -0.53 1.87 0.00 -1.11 -1.93 119.26 119.27 7msf h ALA 123 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 7msf h ALA 123 Cb 0.40 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 7msf h ALA 123 CO -0.23 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.02 7msf n ALA 124 N -2.10 2.37 -3.67 0.00 0.00 -0.42 -4.96 120.51 111.73 7msf n ALA 124 Ca -0.02 -1.14 -0.23 0.00 0.00 0.00 0.00 53.44 52.05 7msf n ALA 124 Cb 0.11 -0.82 0.05 0.00 0.00 0.00 0.00 19.45 18.80 7msf n ALA 124 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 7msf n ASN 125 N 1.42 -3.36 -3.66 0.00 3.02 -0.72 -4.97 115.26 106.98 7msf n ASN 125 Ca 0.20 -0.71 -0.14 0.00 -0.03 0.00 0.00 54.58 53.90 7msf n ASN 125 Cb 0.58 -4.46 -0.07 0.00 -0.61 0.00 0.00 39.78 35.23 7msf n ASN 125 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 7msf s SER 126 N -3.88 0.71 0.13 6.41 1.04 -0.70 -5.06 113.70 112.35 7msf s SER 126 Ca 0.29 -1.43 0.01 0.00 0.48 0.00 0.00 55.95 55.30 7msf s SER 126 Cb -0.14 0.55 0.01 0.00 0.10 0.00 0.00 66.02 66.54 7msf s SER 126 CO 0.78 -1.09 0.09 0.61 0.98 0.00 0.00 173.24 174.62 7msf n GLY 127 N -0.47 1.72 3.87 7.32 0.00 -1.26 -4.25 105.19 112.12 7msf n GLY 127 Ca 0.02 -2.11 -0.37 0.00 0.00 0.00 0.00 46.02 43.57 7msf n GLY 127 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 7msf s ILE 128 N 0.47 5.35 0.00 -0.61 1.09 -1.26 -4.82 121.20 121.42 7msf s ILE 128 Ca 0.07 0.35 0.00 0.00 -1.10 0.00 0.00 60.65 59.97 7msf s ILE 128 Cb -0.01 -3.51 0.00 0.00 -1.06 0.00 0.00 42.46 37.89 7msf s ILE 128 CO 0.04 0.56 0.00 0.00 -0.10 0.00 0.00 174.94 175.44