#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 6msf n SER 2 N 0.00 0.00 -0.00 0.00 2.88 -1.26 -5.06 113.62 110.17 6msf n SER 2 Ca 0.00 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.68 6msf n SER 2 Cb 0.00 0.00 0.61 0.00 -0.75 0.00 0.00 64.21 64.07 6msf n SER 2 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 6msf n ASN 3 N 0.00 0.06 -3.89 -3.46 2.04 -1.26 -4.61 115.26 104.14 6msf n ASN 3 Ca 0.00 0.29 -0.41 0.00 -0.44 0.00 0.00 54.58 54.02 6msf n ASN 3 Cb 0.00 -0.38 -0.03 0.00 -2.53 0.00 0.00 39.78 36.84 6msf n ASN 3 CO 0.00 0.00 0.00 0.33 -0.44 0.00 0.00 177.26 177.15 6msf n PHE 4 N -1.44 2.83 -4.40 -2.53 7.35 -1.26 -4.85 117.46 113.15 6msf n PHE 4 Ca 0.08 -2.25 -0.20 0.00 -0.76 0.00 0.00 57.45 54.32 6msf n PHE 4 Cb 0.32 -2.20 -0.10 0.00 0.35 0.00 0.00 39.48 37.85 6msf n PHE 4 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 6msf s THR 5 N 5.14 1.30 0.67 -2.13 -4.23 -1.26 -4.88 115.64 110.25 6msf s THR 5 Ca 0.55 -2.05 -0.14 0.00 -1.18 0.00 0.00 61.69 58.87 6msf s THR 5 Cb 0.11 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 71.43 6msf s THR 5 CO 0.05 -0.22 1.09 0.00 -0.54 0.00 0.00 174.62 175.00 6msf s GLN 6 N -3.82 2.84 0.25 3.99 -2.07 -1.26 -4.70 119.66 114.88 6msf s GLN 6 Ca 0.31 1.28 -0.18 0.00 -1.82 0.00 0.00 55.36 54.95 6msf s GLN 6 Cb 0.06 -1.96 0.02 0.00 -1.09 0.00 0.00 33.01 30.03 6msf s GLN 6 CO 0.12 -1.20 0.59 -0.59 -1.32 0.00 0.00 175.29 172.89 6msf s PHE 7 N -2.51 -0.01 -0.33 9.60 -0.71 -0.71 -5.00 117.98 118.29 6msf s PHE 7 Ca 0.65 -0.38 -0.21 0.00 -1.04 0.00 0.00 56.93 55.94 6msf s PHE 7 Cb -0.18 0.47 -0.00 0.00 -1.21 0.00 0.00 43.02 42.09 6msf s PHE 7 CO 0.44 -1.07 0.68 0.08 -1.34 0.00 0.00 175.22 174.00 6msf s VAL 8 N -3.93 4.87 -0.15 -2.49 1.01 -1.26 -1.11 120.40 117.34 6msf s VAL 8 Ca 0.14 0.83 -0.22 0.00 0.00 0.00 0.00 61.98 62.73 6msf s VAL 8 Cb -0.03 -4.08 -0.24 0.00 0.00 0.00 0.00 36.38 32.03 6msf s VAL 8 CO 0.05 -0.25 0.50 0.25 0.00 0.00 0.00 175.10 175.65 6msf h LEU 9 N 9.35 0.13 -8.12 3.92 5.85 -1.06 -3.44 115.31 121.95 6msf h LEU 9 Ca -0.26 -0.77 -0.68 0.00 0.84 0.00 0.00 57.88 57.01 6msf h LEU 9 Cb 1.11 -0.04 -0.32 0.00 0.37 0.00 0.00 40.66 41.78 6msf h LEU 9 CO 0.84 1.39 -0.71 -0.69 -0.34 0.00 0.00 178.44 178.93 6msf s VAL 10 N -2.36 3.03 -0.57 1.05 1.01 -1.00 -4.99 120.40 116.57 6msf s VAL 10 Ca -0.23 -1.16 -0.19 0.00 0.00 0.00 0.00 61.98 60.40 6msf s VAL 10 Cb 0.03 -2.64 0.09 0.00 0.00 0.00 0.00 36.38 33.86 6msf s VAL 10 CO 0.68 0.04 0.68 -0.62 0.00 0.00 0.00 175.10 175.89 6msf s ASP 11 N 1.31 6.19 -0.30 3.32 2.15 -1.26 -1.10 116.67 126.97 6msf s ASP 11 Ca -0.02 -1.28 0.11 0.00 0.43 0.00 0.00 52.55 51.79 6msf s ASP 11 Cb -0.18 -2.30 0.71 0.00 -0.30 0.00 0.00 42.92 40.85 6msf s ASP 11 CO -0.02 -1.05 1.74 0.59 -0.17 0.00 0.00 175.17 176.25 6msf n ASN 12 N 6.30 4.58 -1.84 -0.34 3.02 -1.26 -4.94 115.26 120.78 6msf n ASN 12 Ca -0.09 -3.24 -0.02 0.00 -0.03 0.00 0.00 54.58 51.21 6msf n ASN 12 Cb 0.43 -0.71 0.01 0.00 -0.61 0.00 0.00 39.78 38.90 6msf n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 6msf n GLY 13 N -0.25 0.08 4.83 7.41 0.00 -1.26 -4.20 105.19 111.79 6msf n GLY 13 Ca 0.38 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.31 6msf n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 6msf n GLY 14 N -1.33 0.38 3.34 -0.02 0.00 -1.26 -4.81 105.19 101.50 6msf n GLY 14 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 6msf n GLY 14 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 6msf s THR 15 N 0.00 4.45 0.00 2.61 -1.32 -1.26 -4.31 115.64 115.81 6msf s THR 15 Ca 0.00 -1.03 0.00 0.00 -1.21 0.00 0.00 61.69 59.45 6msf s THR 15 Cb 0.00 -3.55 0.00 0.00 -1.51 0.00 0.00 72.50 67.44 6msf s THR 15 CO 0.00 -0.31 0.00 0.61 -2.21 0.00 0.00 174.62 172.71 6msf n GLY 16 N 4.97 1.44 3.80 6.08 0.00 -1.26 -4.79 105.19 115.43 6msf n GLY 16 Ca -0.11 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 6msf n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 6msf s ASP 17 N -2.05 6.61 -0.23 1.61 1.01 -1.26 -4.50 116.67 117.85 6msf s ASP 17 Ca 0.00 1.88 -0.05 0.00 0.71 0.00 0.00 52.55 55.09 6msf s ASP 17 Cb 0.00 -2.56 -0.01 0.00 1.01 0.00 0.00 42.92 41.36 6msf s ASP 17 CO 0.00 -0.59 -0.00 -0.69 0.21 0.00 0.00 175.17 174.10 6msf s VAL 18 N -1.96 3.67 -0.05 -1.27 1.01 -0.26 -4.99 120.40 116.55 6msf s VAL 18 Ca 0.63 -0.42 0.01 0.00 0.00 0.00 0.00 61.98 62.21 6msf s VAL 18 Cb -0.16 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.49 6msf s VAL 18 CO 0.20 0.37 -0.07 -0.89 0.00 0.00 0.00 175.10 174.71 6msf s THR 19 N 1.52 3.65 0.05 3.92 2.01 -1.26 -0.37 115.64 125.16 6msf s THR 19 Ca 0.06 -0.55 0.09 0.00 0.31 0.00 0.00 61.69 61.60 6msf s THR 19 Cb -0.15 -2.51 -0.03 0.00 0.01 0.00 0.00 72.50 69.83 6msf s THR 19 CO -0.01 0.56 -0.26 0.68 -0.69 0.00 0.00 174.62 174.90 6msf s VAL 20 N -0.84 2.14 0.10 3.82 -7.23 -0.26 -4.30 120.40 113.82 6msf s VAL 20 Ca 0.13 -1.40 0.04 0.00 -1.81 0.00 0.00 61.98 58.95 6msf s VAL 20 Cb -0.11 -1.83 -0.04 0.00 0.56 0.00 0.00 36.38 34.97 6msf s VAL 20 CO 0.03 0.36 -0.11 0.00 -0.31 0.00 0.00 175.10 175.06 6msf s ALA 21 N -0.81 1.21 0.07 1.32 0.00 -0.84 -1.75 121.76 120.96 6msf s ALA 21 Ca 0.12 -1.20 -0.37 0.00 0.00 0.00 0.00 51.96 50.51 6msf s ALA 21 Cb -0.10 -0.01 -0.17 0.00 0.00 0.00 0.00 23.12 22.84 6msf s ALA 21 CO 0.02 0.01 1.33 -2.30 0.00 0.00 0.00 175.76 174.83 6msf n PRO 22 N 0.61 1.07 0.00 0.00 -0.02 -1.26 -1.72 135.00 133.69 6msf n PRO 22 Ca -0.16 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 6msf n PRO 22 Cb 0.57 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 32.03 6msf n PRO 22 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 6msf n SER 23 N 2.51 1.08 -3.55 2.55 3.41 0.12 -4.86 113.62 114.88 6msf n SER 23 Ca 0.19 -0.11 -0.11 0.00 -0.26 0.00 0.00 58.87 58.57 6msf n SER 23 Cb 0.18 0.45 -0.05 0.00 -0.26 0.00 0.00 64.21 64.53 6msf n SER 23 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 6msf s ASN 24 N -0.66 -0.42 0.00 4.04 3.84 -1.17 -4.99 114.94 115.57 6msf s ASN 24 Ca 0.00 0.37 0.00 0.00 0.21 0.00 0.00 52.86 53.44 6msf s ASN 24 Cb 0.00 0.36 0.00 0.00 -0.55 0.00 0.00 41.25 41.06 6msf s ASN 24 CO 0.00 -0.45 0.82 0.33 -2.79 0.00 0.00 177.10 175.01 6msf n PHE 25 N 0.54 0.00 -1.74 0.43 7.35 -1.25 -1.03 117.46 121.75 6msf n PHE 25 Ca -0.11 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.16 6msf n PHE 25 Cb 0.59 -0.01 -0.03 0.00 0.35 0.00 0.00 39.48 40.37 6msf n PHE 25 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 6msf s ALA 26 N 0.00 3.72 -0.85 3.13 0.00 -1.25 -2.37 121.76 124.13 6msf s ALA 26 Ca 0.00 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.35 6msf s ALA 26 Cb 0.00 -3.77 0.00 0.00 0.00 0.00 0.00 23.12 19.35 6msf s ALA 26 CO 0.00 -1.27 0.00 0.09 0.00 0.00 0.00 175.76 174.58 6msf n ASN 27 N 6.01 -3.43 0.00 0.00 3.02 -1.26 -2.95 115.26 116.65 6msf n ASN 27 Ca 0.18 0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.78 6msf n ASN 27 Cb 0.39 -2.48 0.00 0.00 -0.61 0.00 0.00 39.78 37.08 6msf n ASN 27 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 6msf n GLY 28 N -1.21 1.68 3.56 7.41 0.00 -1.00 -4.95 105.19 110.68 6msf n GLY 28 Ca -0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.48 6msf n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 6msf s VAL 29 N -2.80 4.41 0.25 1.61 1.01 -1.15 -4.75 120.40 118.98 6msf s VAL 29 Ca 0.00 0.73 -0.30 0.00 0.00 0.00 0.00 61.98 62.41 6msf s VAL 29 Cb 0.00 -4.48 -0.09 0.00 0.00 0.00 0.00 36.38 31.81 6msf s VAL 29 CO 0.00 -0.92 1.01 0.00 0.00 0.00 0.00 175.10 175.19 6msf s ALA 30 N 3.90 3.37 -0.00 5.51 0.00 -0.76 -3.93 121.76 129.84 6msf s ALA 30 Ca 0.37 0.73 0.02 0.00 0.00 0.00 0.00 51.96 53.08 6msf s ALA 30 Cb -0.10 -3.26 -0.00 0.00 0.00 0.00 0.00 23.12 19.76 6msf s ALA 30 CO 0.26 0.05 -0.06 -2.00 0.00 0.00 0.00 175.76 174.01 6msf s GLU 31 N -1.25 0.47 0.05 0.00 2.12 -0.20 -1.68 118.70 118.21 6msf s GLU 31 Ca 0.43 -0.22 0.05 0.00 0.36 0.00 0.00 54.97 55.59 6msf s GLU 31 Cb -0.28 -0.45 -0.02 0.00 0.26 0.00 0.00 34.13 33.63 6msf s GLU 31 CO 0.36 0.12 -0.14 -1.58 -0.54 0.00 0.00 175.26 173.47 6msf s TRP 32 N -0.16 1.25 0.04 5.30 0.51 0.15 0.13 118.94 126.16 6msf s TRP 32 Ca 0.02 -0.39 -0.10 0.00 -2.12 0.00 0.00 56.10 53.51 6msf s TRP 32 Cb -0.02 -0.73 0.01 0.00 -0.81 0.00 0.00 33.47 31.92 6msf s TRP 32 CO -0.00 0.05 0.22 0.96 -0.51 0.00 0.00 176.95 177.66 6msf s ILE 33 N -0.98 0.10 0.81 2.03 -4.36 -0.70 -1.06 121.20 117.04 6msf s ILE 33 Ca 0.01 -0.85 -0.12 0.00 -0.26 0.00 0.00 60.65 59.43 6msf s ILE 33 Cb -0.09 -0.91 0.08 0.00 1.25 0.00 0.00 42.46 42.79 6msf s ILE 33 CO 0.02 -0.47 1.14 -0.94 0.24 0.00 0.00 174.94 174.93 6msf s SER 34 N -2.08 4.51 -1.18 4.36 1.04 -0.58 -2.00 113.70 117.77 6msf s SER 34 Ca -0.05 0.98 -0.19 0.00 0.48 0.00 0.00 55.95 57.17 6msf s SER 34 Cb -0.01 -1.60 0.08 0.00 0.10 0.00 0.00 66.02 64.59 6msf s SER 34 CO -0.04 -1.92 1.57 -0.55 0.98 0.00 0.00 173.24 173.28 6msf s SER 35 N -4.31 6.75 0.35 7.02 0.15 -1.26 -4.71 113.70 117.69 6msf s SER 35 Ca 0.61 -2.19 -0.06 0.00 0.70 0.00 0.00 55.95 55.01 6msf s SER 35 Cb -0.12 -2.54 0.02 0.00 -1.71 0.00 0.00 66.02 61.66 6msf s SER 35 CO 0.51 -1.21 0.56 0.20 1.20 0.00 0.00 173.24 174.50 6msf s ASN 36 N 4.24 0.65 0.50 5.45 0.01 -1.26 -5.06 114.94 119.48 6msf s ASN 36 Ca 0.49 -1.38 -0.21 0.00 -0.71 0.00 0.00 52.86 51.05 6msf s ASN 36 Cb 0.01 0.71 -0.07 0.00 0.41 0.00 0.00 41.25 42.31 6msf s ASN 36 CO 0.00 -1.39 1.13 -0.94 -1.51 0.00 0.00 177.10 174.40 6msf s SER 37 N -3.19 5.99 0.65 -1.22 1.04 -1.26 -4.75 113.70 110.96 6msf s SER 37 Ca 0.26 2.20 0.42 0.00 0.48 0.00 0.00 55.95 59.32 6msf s SER 37 Cb -0.02 -2.59 2.28 0.00 0.10 0.00 0.00 66.02 65.79 6msf s SER 37 CO 0.18 -1.04 2.33 0.03 0.98 0.00 0.00 173.24 175.72 6msf h ARG 38 N 1.61 0.00 0.00 4.02 3.08 -1.97 0.58 114.38 121.71 6msf h ARG 38 Ca -0.50 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.50 6msf h ARG 38 Cb 1.25 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.29 6msf h ARG 38 CO 0.59 0.00 -0.28 0.66 -1.07 0.00 0.00 179.97 179.87 6msf h SER 39 N 0.00 0.00 -0.07 7.04 4.64 -1.97 -3.26 113.55 119.92 6msf h SER 39 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 6msf h SER 39 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 6msf h SER 39 CO 0.00 0.28 0.00 0.00 -0.87 0.00 0.00 176.83 176.24 6msf n GLN 40 N -3.27 1.13 -1.51 4.77 6.02 -0.00 -5.01 117.38 119.51 6msf n GLN 40 Ca 0.01 -1.21 -0.29 0.00 -0.01 0.00 0.00 57.00 55.50 6msf n GLN 40 Cb 0.55 -1.10 0.14 0.00 1.02 0.00 0.00 30.24 30.84 6msf n GLN 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 6msf s ALA 41 N -0.67 1.75 -0.25 -1.58 0.00 -0.08 -4.67 121.76 116.26 6msf s ALA 41 Ca 0.08 -0.50 -0.08 0.00 0.00 0.00 0.00 51.96 51.46 6msf s ALA 41 Cb 0.05 -3.04 -0.03 0.00 0.00 0.00 0.00 23.12 20.09 6msf s ALA 41 CO 0.06 -2.29 0.09 0.71 0.00 0.00 0.00 175.76 174.34 6msf s TYR 42 N -3.25 3.13 0.03 0.00 1.51 -1.26 -4.19 117.35 113.32 6msf s TYR 42 Ca 0.64 -0.26 0.08 0.00 -1.01 0.00 0.00 57.07 56.52 6msf s TYR 42 Cb -0.15 -2.25 -0.03 0.00 -0.11 0.00 0.00 41.96 39.42 6msf s TYR 42 CO 0.54 -0.26 -0.24 0.21 -1.11 0.00 0.00 175.55 174.69 6msf s LYS 43 N 1.50 1.93 -0.03 -0.62 2.20 -0.85 -1.53 119.74 122.35 6msf s LYS 43 Ca 0.06 -1.04 0.01 0.00 -0.36 0.00 0.00 55.97 54.64 6msf s LYS 43 Cb -0.15 -2.05 0.02 0.00 -1.51 0.00 0.00 37.83 34.14 6msf s LYS 43 CO 0.05 0.53 -0.01 0.08 -0.36 0.00 0.00 175.35 175.64 6msf s VAL 44 N -0.80 0.26 0.04 4.02 1.01 -0.22 -0.68 120.40 124.02 6msf s VAL 44 Ca 0.12 0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.14 6msf s VAL 44 Cb -0.10 -0.32 -0.02 0.00 0.00 0.00 0.00 36.38 35.94 6msf s VAL 44 CO 0.02 0.15 -0.09 0.42 0.00 0.00 0.00 175.10 175.60 6msf s THR 45 N 0.83 0.64 -0.05 3.92 -4.23 -0.16 -0.67 115.64 115.92 6msf s THR 45 Ca -0.09 -0.94 -0.10 0.00 -1.18 0.00 0.00 61.69 59.38 6msf s THR 45 Cb -0.12 -0.65 0.02 0.00 1.34 0.00 0.00 72.50 73.08 6msf s THR 45 CO -0.01 -0.23 0.25 0.00 -0.54 0.00 0.00 174.62 174.09 6msf s SER 47 N -0.64 -0.47 0.02 0.00 1.04 -0.68 -1.82 113.70 111.15 6msf s SER 47 Ca -0.07 0.27 0.05 0.00 0.48 0.00 0.00 55.95 56.68 6msf s SER 47 Cb -0.04 0.49 -0.02 0.00 0.10 0.00 0.00 66.02 66.55 6msf s SER 47 CO 0.02 -0.68 -0.16 -0.69 0.98 0.00 0.00 173.24 172.70 6msf s VAL 48 N -2.15 1.31 0.11 5.02 1.01 -1.26 -1.09 120.40 123.34 6msf s VAL 48 Ca -0.07 -0.90 -0.14 0.00 0.00 0.00 0.00 61.98 60.87 6msf s VAL 48 Cb -0.01 -1.13 0.02 0.00 0.00 0.00 0.00 36.38 35.26 6msf s VAL 48 CO 0.01 0.21 0.33 0.00 0.00 0.00 0.00 175.10 175.65 6msf s ARG 49 N -0.80 0.98 -0.54 2.72 1.70 -0.88 -5.00 118.95 117.12 6msf s ARG 49 Ca 0.05 -0.76 -0.20 0.00 -0.47 0.00 0.00 55.73 54.35 6msf s ARG 49 Cb -0.07 0.42 0.07 0.00 -0.57 0.00 0.00 34.95 34.80 6msf s ARG 49 CO 0.01 -0.36 0.70 -1.14 -1.08 0.00 0.00 175.30 173.43 6msf s GLN 50 N -3.70 3.12 0.29 3.89 0.74 -1.26 -0.08 119.66 122.66 6msf s GLN 50 Ca 0.03 -0.93 0.05 0.00 0.05 0.00 0.00 55.36 54.55 6msf s GLN 50 Cb 0.03 -4.15 0.45 0.00 1.10 0.00 0.00 33.01 30.44 6msf s GLN 50 CO -0.11 -1.37 1.71 0.66 -0.55 0.00 0.00 175.29 175.63 6msf h SER 51 N 9.12 0.35 -2.56 6.67 4.64 -1.79 -3.47 113.55 126.50 6msf h SER 51 Ca -0.28 -0.13 -0.10 0.00 -0.47 0.00 0.00 61.79 60.81 6msf h SER 51 Cb 1.09 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 63.06 6msf h SER 51 CO 1.03 0.67 0.01 -1.54 -0.87 0.00 0.00 176.83 176.13 6msf n SER 52 N -4.07 -0.92 0.06 4.97 3.41 -1.15 -4.99 113.62 110.92 6msf n SER 52 Ca -0.01 -1.96 -0.02 0.00 -0.26 0.00 0.00 58.87 56.63 6msf n SER 52 Cb 0.44 1.63 0.25 0.00 -0.26 0.00 0.00 64.21 66.27 6msf n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 6msf h ALA 53 N 1.85 1.19 0.00 7.33 0.00 -2.04 -3.23 119.26 124.36 6msf h ALA 53 Ca -0.16 -0.34 -0.23 0.00 0.00 0.00 0.00 54.91 54.19 6msf h ALA 53 Cb 0.65 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 6msf h ALA 53 CO 0.21 0.52 -1.54 1.96 0.00 0.00 0.00 179.25 180.40 6msf h GLN 54 N 0.31 0.00 -5.88 0.00 1.08 -1.98 -3.46 115.11 105.18 6msf h GLN 54 Ca 0.05 0.00 -0.56 0.00 -1.45 0.00 0.00 58.65 56.69 6msf h GLN 54 Cb 0.65 0.00 -0.14 0.00 -0.05 0.00 0.00 27.48 27.94 6msf h GLN 54 CO 0.05 0.40 -0.72 -0.80 -0.95 0.00 0.00 178.83 176.80 6msf s ASN 55 N -5.95 3.26 0.12 1.46 0.01 -1.22 0.20 114.94 112.83 6msf s ASN 55 Ca -0.04 -1.10 0.11 0.00 -0.71 0.00 0.00 52.86 51.12 6msf s ASN 55 Cb 0.08 -0.25 -0.04 0.00 0.41 0.00 0.00 41.25 41.45 6msf s ASN 55 CO 0.82 -0.14 -0.27 -0.13 -1.51 0.00 0.00 177.10 175.88 6msf s ARG 56 N -3.60 1.40 -0.04 -0.60 0.52 -0.07 -2.47 118.95 114.09 6msf s ARG 56 Ca 0.29 -1.32 0.00 0.00 -0.52 0.00 0.00 55.73 54.18 6msf s ARG 56 Cb -0.01 -1.87 0.03 0.00 0.52 0.00 0.00 34.95 33.62 6msf s ARG 56 CO 0.13 0.45 -0.01 0.21 0.02 0.00 0.00 175.30 176.10 6msf s LYS 57 N -2.00 0.50 -0.21 3.54 2.20 0.89 -0.70 119.74 123.96 6msf s LYS 57 Ca 0.13 0.05 -0.11 0.00 -0.36 0.00 0.00 55.97 55.68 6msf s LYS 57 Cb -0.10 -0.69 -0.05 0.00 -1.51 0.00 0.00 37.83 35.48 6msf s LYS 57 CO 0.06 -0.16 0.17 0.71 -0.36 0.00 0.00 175.35 175.76 6msf s TYR 58 N 1.24 3.39 -0.24 4.03 2.02 0.77 -2.08 117.35 126.48 6msf s TYR 58 Ca -0.06 0.34 -0.02 0.00 -0.37 0.00 0.00 57.07 56.95 6msf s TYR 58 Cb -0.13 -2.23 0.01 0.00 -0.40 0.00 0.00 41.96 39.21 6msf s TYR 58 CO -0.02 0.21 -0.06 0.99 -1.57 0.00 0.00 175.55 175.10 6msf s THR 59 N 0.61 3.02 -0.11 -0.71 2.01 -0.25 -0.54 115.64 119.66 6msf s THR 59 Ca 0.09 -0.85 0.03 0.00 0.31 0.00 0.00 61.69 61.28 6msf s THR 59 Cb -0.12 -2.47 0.00 0.00 0.01 0.00 0.00 72.50 69.92 6msf s THR 59 CO 0.01 0.28 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.35 6msf s ILE 60 N 1.38 2.07 -0.01 1.82 1.01 0.63 -1.69 121.20 126.41 6msf s ILE 60 Ca 0.02 -1.00 0.06 0.00 0.00 0.00 0.00 60.65 59.73 6msf s ILE 60 Cb -0.16 -1.80 -0.02 0.00 0.01 0.00 0.00 42.46 40.50 6msf s ILE 60 CO -0.04 0.56 -0.18 -0.54 0.00 0.00 0.00 174.94 174.73 6msf s LYS 61 N 0.50 1.46 0.00 2.79 1.02 -0.22 0.15 119.74 125.45 6msf s LYS 61 Ca -0.15 -0.69 0.03 0.00 0.02 0.00 0.00 55.97 55.18 6msf s LYS 61 Cb -0.17 -1.43 -0.01 0.00 -0.52 0.00 0.00 37.83 35.70 6msf s LYS 61 CO 0.05 0.39 -0.08 0.08 -0.92 0.00 0.00 175.35 174.87 6msf s VAL 62 N -0.48 0.63 -0.10 3.17 1.01 0.03 -0.99 120.40 123.67 6msf s VAL 62 Ca 0.07 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.62 6msf s VAL 62 Cb -0.07 -0.55 0.01 0.00 0.00 0.00 0.00 36.38 35.76 6msf s VAL 62 CO -0.00 0.10 -0.19 -1.61 0.00 0.00 0.00 175.10 173.39 6msf s GLU 63 N -0.40 2.56 -0.09 2.72 2.02 0.15 -0.47 118.70 125.19 6msf s GLU 63 Ca 0.01 -0.70 0.04 0.00 0.02 0.00 0.00 54.97 54.34 6msf s GLU 63 Cb -0.04 -2.03 0.00 0.00 0.10 0.00 0.00 34.13 32.16 6msf s GLU 63 CO -0.00 0.06 -0.22 0.08 0.02 0.00 0.00 175.26 175.20 6msf s VAL 64 N 0.64 1.91 0.41 2.63 1.01 -0.58 -2.00 120.40 124.41 6msf s VAL 64 Ca -0.13 -0.94 -0.23 0.00 0.00 0.00 0.00 61.98 60.69 6msf s VAL 64 Cb -0.16 -1.65 -0.10 0.00 0.00 0.00 0.00 36.38 34.46 6msf s VAL 64 CO 0.04 0.53 0.98 -2.16 0.00 0.00 0.00 175.10 174.49 6msf s PRO 65 N 0.35 4.22 -0.20 2.72 0.04 -1.26 -0.99 135.00 139.87 6msf s PRO 65 Ca -0.17 1.29 -0.27 0.00 0.04 0.00 0.00 61.00 61.89 6msf s PRO 65 Cb -0.17 -2.38 -0.00 0.00 0.04 0.00 0.00 34.50 31.99 6msf s PRO 65 CO 0.08 -0.05 0.93 0.21 0.04 0.00 0.00 177.00 178.21 6msf s LYS 66 N -2.80 4.27 -0.15 4.56 2.20 -0.42 -4.90 119.74 122.50 6msf s LYS 66 Ca 0.59 1.17 0.09 0.00 -0.36 0.00 0.00 55.97 57.46 6msf s LYS 66 Cb -0.15 -3.61 -0.23 0.00 -1.51 0.00 0.00 37.83 32.33 6msf s LYS 66 CO 0.19 -0.49 0.24 0.28 -0.36 0.00 0.00 175.35 175.21 6msf n VAL 67 N 5.07 1.54 -1.68 4.02 0.31 -1.26 -4.64 118.33 121.69 6msf n VAL 67 Ca 0.08 -0.75 -0.47 0.00 -0.01 0.00 0.00 64.34 63.20 6msf n VAL 67 Cb 0.47 -1.04 -0.04 0.00 -0.91 0.00 0.00 33.84 32.32 6msf n VAL 67 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 6msf n ALA 68 N -2.84 1.19 -1.09 3.52 0.00 -1.26 -1.00 120.51 119.03 6msf n ALA 68 Ca -0.31 0.32 -0.03 0.00 0.00 0.00 0.00 53.44 53.42 6msf n ALA 68 Cb 1.08 -2.49 -0.01 0.00 0.00 0.00 0.00 19.45 18.02 6msf n ALA 68 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 6msf n THR 69 N 4.74 0.00 -1.99 0.00 -2.24 -1.26 -4.99 114.28 108.54 6msf n THR 69 Ca 0.21 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.63 6msf n THR 69 Cb 0.31 -0.82 0.03 0.00 -2.10 0.00 0.00 70.33 67.76 6msf n THR 69 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 6msf s GLN 70 N -1.69 2.95 -0.43 -0.78 0.74 -0.17 -5.00 119.66 115.29 6msf s GLN 70 Ca 0.00 1.78 0.00 0.00 0.05 0.00 0.00 55.36 57.19 6msf s GLN 70 Cb 0.00 -1.93 0.12 0.00 1.10 0.00 0.00 33.01 32.29 6msf s GLN 70 CO 0.00 -1.21 0.19 0.99 -0.55 0.00 0.00 175.29 174.71 6msf s THR 71 N -1.66 2.95 -0.08 -0.34 2.01 -1.26 -5.07 115.64 112.19 6msf s THR 71 Ca 0.76 -2.39 -0.38 0.00 0.31 0.00 0.00 61.69 60.00 6msf s THR 71 Cb -0.29 -3.05 -0.15 0.00 0.01 0.00 0.00 72.50 69.01 6msf s THR 71 CO 0.33 -0.70 1.59 0.52 -0.69 0.00 0.00 174.62 175.68 6msf n VAL 72 N 4.19 0.19 -0.98 3.82 0.31 -1.26 -0.62 118.33 123.98 6msf n VAL 72 Ca 0.02 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 6msf n VAL 72 Cb 0.40 -1.17 0.00 0.00 -0.91 0.00 0.00 33.84 32.16 6msf n VAL 72 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 6msf n GLY 73 N 3.51 0.71 3.97 2.92 0.00 -1.26 -5.02 105.19 110.03 6msf n GLY 73 Ca 0.22 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.02 6msf n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 6msf s GLY 74 N -2.00 1.80 -0.51 -0.02 0.00 0.21 -5.05 107.32 101.76 6msf s GLY 74 Ca 0.00 -1.30 -0.18 0.00 0.00 0.00 0.00 44.72 43.24 6msf s GLY 74 CO 0.00 -0.97 0.59 0.14 0.00 0.00 0.00 173.10 172.86 6msf s VAL 75 N -2.86 4.93 -0.26 1.40 1.01 -1.26 -4.99 120.40 118.37 6msf s VAL 75 Ca 0.58 -0.62 -0.07 0.00 0.00 0.00 0.00 61.98 61.87 6msf s VAL 75 Cb -0.10 -4.28 -0.01 0.00 0.00 0.00 0.00 36.38 31.98 6msf s VAL 75 CO 0.40 -0.79 0.06 -1.61 0.00 0.00 0.00 175.10 173.16 6msf s GLU 76 N 2.46 3.44 0.06 2.72 2.02 -1.26 -5.09 118.70 123.06 6msf s GLU 76 Ca 0.13 -0.62 0.06 0.00 0.02 0.00 0.00 54.97 54.56 6msf s GLU 76 Cb -0.20 -3.30 -0.03 0.00 0.10 0.00 0.00 34.13 30.70 6msf s GLU 76 CO 0.11 -0.27 -0.17 -0.51 0.02 0.00 0.00 175.26 174.44 6msf s LEU 77 N 1.56 2.23 0.26 1.80 2.01 -1.26 -4.00 118.68 121.28 6msf s LEU 77 Ca 0.05 -0.56 -0.24 0.00 0.01 0.00 0.00 54.13 53.40 6msf s LEU 77 Cb -0.16 -0.70 -0.09 0.00 0.01 0.00 0.00 46.19 45.25 6msf s LEU 77 CO 0.02 0.03 0.84 -2.16 1.01 0.00 0.00 176.35 176.09 6msf s PRO 78 N -1.46 4.47 0.31 1.29 0.04 -1.26 -5.01 135.00 133.38 6msf s PRO 78 Ca 0.03 1.14 0.08 0.00 0.04 0.00 0.00 61.00 62.28 6msf s PRO 78 Cb -0.09 -2.92 0.87 0.00 0.04 0.00 0.00 34.50 32.40 6msf s PRO 78 CO 0.02 0.38 1.67 0.28 0.04 0.00 0.00 177.00 179.38 6msf h VAL 79 N 2.78 0.35 0.00 -0.36 2.07 -2.00 0.10 116.25 119.20 6msf h VAL 79 Ca -0.47 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 66.94 6msf h VAL 79 Cb 1.19 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.98 6msf h VAL 79 CO 0.65 0.06 -0.00 0.00 0.02 0.00 0.00 177.57 178.30 6msf h ALA 80 N 1.79 1.18 0.00 1.67 0.00 -1.93 -1.47 119.26 120.50 6msf h ALA 80 Ca 0.63 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.54 6msf h ALA 80 Cb 1.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 6msf h ALA 80 CO -0.61 0.00 -0.53 0.00 0.00 0.00 0.00 179.25 178.12 6msf h ALA 81 N 2.00 0.71 -0.39 0.00 0.00 -1.18 -3.34 119.26 117.05 6msf h ALA 81 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 6msf h ALA 81 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 6msf h ALA 81 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 179.25 180.16 6msf n TRP 82 N -2.58 0.58 -3.86 0.00 7.02 -0.57 -4.92 117.44 113.12 6msf n TRP 82 Ca 0.03 -0.53 -0.12 0.00 -1.02 0.00 0.00 57.50 55.86 6msf n TRP 82 Cb 0.50 -0.05 -0.12 0.00 -2.42 0.00 0.00 31.31 29.22 6msf n TRP 82 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 6msf s ARG 83 N -1.15 0.29 -0.06 -0.99 0.52 -1.12 -1.30 118.95 115.14 6msf s ARG 83 Ca 0.28 -0.10 0.02 0.00 -0.52 0.00 0.00 55.73 55.41 6msf s ARG 83 Cb 0.16 0.12 -0.03 0.00 0.52 0.00 0.00 34.95 35.72 6msf s ARG 83 CO 0.17 -0.06 -0.10 -1.12 0.02 0.00 0.00 175.30 174.21 6msf s SER 84 N -0.59 4.35 -0.12 0.23 0.01 -0.17 -4.91 113.70 112.51 6msf s SER 84 Ca -0.07 -0.11 0.03 0.00 1.31 0.00 0.00 55.95 57.11 6msf s SER 84 Cb -0.04 -1.01 0.01 0.00 0.21 0.00 0.00 66.02 65.19 6msf s SER 84 CO 0.01 0.35 -0.21 -0.31 0.41 0.00 0.00 173.24 173.49 6msf s TYR 85 N -0.77 2.43 -0.16 2.43 1.51 -1.26 -1.53 117.35 119.99 6msf s TYR 85 Ca 0.12 -1.13 -0.02 0.00 -1.01 0.00 0.00 57.07 55.03 6msf s TYR 85 Cb -0.11 -1.66 -0.01 0.00 -0.11 0.00 0.00 41.96 40.06 6msf s TYR 85 CO 0.01 -0.51 -0.09 -1.17 -1.11 0.00 0.00 175.55 172.68 6msf s LEU 86 N 0.70 2.87 -0.17 -1.29 2.96 0.38 -5.00 118.68 119.13 6msf s LEU 86 Ca -0.11 -0.31 0.01 0.00 -0.22 0.00 0.00 54.13 53.50 6msf s LEU 86 Cb -0.16 -1.68 0.02 0.00 0.50 0.00 0.00 46.19 44.87 6msf s LEU 86 CO 0.02 0.11 -0.16 0.21 -1.32 0.00 0.00 176.35 175.21 6msf s ASN 87 N 0.70 2.96 -0.09 3.68 2.47 -1.26 -0.79 114.94 122.61 6msf s ASN 87 Ca -0.04 -0.61 0.04 0.00 0.42 0.00 0.00 52.86 52.67 6msf s ASN 87 Cb -0.15 -1.31 0.00 0.00 -1.45 0.00 0.00 41.25 38.34 6msf s ASN 87 CO 0.02 -0.05 -0.22 -0.04 -3.72 0.00 0.00 177.10 173.09 6msf s MET 88 N 1.39 2.83 -0.15 0.43 -1.94 0.12 -5.01 119.30 116.98 6msf s MET 88 Ca 0.04 -0.81 0.00 0.00 -1.71 0.00 0.00 55.69 53.21 6msf s MET 88 Cb -0.13 -2.16 0.03 0.00 2.01 0.00 0.00 34.83 34.58 6msf s MET 88 CO -0.11 0.16 -0.10 -2.00 -0.01 0.00 0.00 175.02 172.95 6msf s GLU 89 N 0.38 1.92 -0.25 2.03 2.12 -1.26 -0.27 118.70 123.36 6msf s GLU 89 Ca -0.18 -0.53 -0.04 0.00 0.36 0.00 0.00 54.97 54.58 6msf s GLU 89 Cb -0.18 -2.02 0.00 0.00 0.26 0.00 0.00 34.13 32.20 6msf s GLU 89 CO 0.08 -0.31 -0.00 -1.17 -0.54 0.00 0.00 175.26 173.32 6msf s LEU 90 N 1.55 3.28 -0.22 2.70 2.96 0.29 -4.96 118.68 124.28 6msf s LEU 90 Ca 0.03 -0.59 -0.09 0.00 -0.22 0.00 0.00 54.13 53.27 6msf s LEU 90 Cb -0.14 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 6msf s LEU 90 CO -0.09 -0.10 0.10 -0.89 -1.32 0.00 0.00 176.35 174.05 6msf s THR 91 N 1.46 4.88 -0.11 3.68 2.01 -1.26 -0.16 115.64 126.13 6msf s THR 91 Ca 0.04 0.01 -0.00 0.00 0.31 0.00 0.00 61.69 62.04 6msf s THR 91 Cb -0.16 -3.25 0.02 0.00 0.01 0.00 0.00 72.50 69.13 6msf s THR 91 CO -0.01 0.38 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.59 6msf s ILE 92 N 0.99 1.03 0.45 1.82 1.01 0.13 -4.97 121.20 121.66 6msf s ILE 92 Ca 0.05 -0.30 -0.25 0.00 0.00 0.00 0.00 60.65 60.16 6msf s ILE 92 Cb -0.14 -1.04 -0.09 0.00 0.01 0.00 0.00 42.46 41.20 6msf s ILE 92 CO 0.03 0.37 1.32 -2.65 0.00 0.00 0.00 174.94 174.01 6msf n PRO 93 N 4.88 1.96 0.00 2.79 -0.02 -1.26 -0.89 135.00 142.46 6msf n PRO 93 Ca -0.13 0.70 0.01 0.00 -2.02 0.00 0.00 63.50 62.06 6msf n PRO 93 Cb 0.50 -2.47 0.04 0.00 -0.02 0.00 0.00 33.50 31.54 6msf n PRO 93 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 6msf n ILE 94 N -0.36 1.43 0.81 4.25 -5.35 0.13 -1.60 119.36 118.68 6msf n ILE 94 Ca 0.07 0.36 0.12 0.00 -0.27 0.00 0.00 62.75 63.03 6msf n ILE 94 Cb 0.41 -1.33 0.30 0.00 -1.74 0.00 0.00 39.64 37.28 6msf n ILE 94 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 6msf n PHE 95 N -1.38 0.28 -1.75 4.28 3.72 -1.26 -4.89 117.46 116.46 6msf n PHE 95 Ca 0.01 0.08 -0.42 0.00 -0.05 0.00 0.00 57.45 57.07 6msf n PHE 95 Cb 0.02 -0.50 -0.03 0.00 -0.94 0.00 0.00 39.48 38.02 6msf n PHE 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 6msf s ALA 96 N -3.07 3.71 0.91 4.37 0.00 -0.63 -4.99 121.76 122.07 6msf s ALA 96 Ca 0.10 1.37 -0.11 0.00 0.00 0.00 0.00 51.96 53.32 6msf s ALA 96 Cb 0.16 -3.77 0.19 0.00 0.00 0.00 0.00 23.12 19.71 6msf s ALA 96 CO 0.67 -1.27 1.20 0.25 0.00 0.00 0.00 175.76 176.60 6msf n THR 97 N 4.90 0.00 -0.22 0.00 -2.24 -1.26 -4.85 114.28 110.61 6msf n THR 97 Ca 0.18 -1.15 -0.08 0.00 -2.27 0.00 0.00 64.05 60.72 6msf n THR 97 Cb 0.39 -1.32 0.03 0.00 -2.10 0.00 0.00 70.33 67.33 6msf n THR 97 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 6msf h ASN 98 N -1.34 0.99 -0.68 3.42 2.35 -1.99 -1.49 115.58 116.84 6msf h ASN 98 Ca -0.39 -0.27 -0.05 0.00 -0.55 0.00 0.00 56.30 55.05 6msf h ASN 98 Cb 1.17 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 39.25 6msf h ASN 98 CO 0.31 1.00 0.24 0.28 -1.65 0.00 0.00 177.43 177.62 6msf h SER 99 N 0.93 0.97 -0.43 5.81 0.02 -1.99 0.75 113.55 119.61 6msf h SER 99 Ca 0.19 -0.19 0.06 0.00 -0.84 0.00 0.00 61.79 61.00 6msf h SER 99 Cb 0.44 -0.25 -0.05 0.00 0.14 0.00 0.00 62.40 62.68 6msf h SER 99 CO 0.01 0.90 0.14 0.44 -1.14 0.00 0.00 176.83 177.19 6msf h ASP 100 N 0.99 0.13 -0.05 3.07 3.32 -1.85 -1.57 116.42 120.46 6msf h ASP 100 Ca 0.22 0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.28 6msf h ASP 100 Cb 0.26 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 6msf h ASP 100 CO -0.01 0.11 -0.08 0.00 -1.72 0.00 0.00 179.24 177.53 6msf h GLU 102 N 0.29 0.68 -0.55 0.00 5.08 0.03 -1.54 114.58 118.57 6msf h GLU 102 Ca 0.06 -0.15 0.04 0.00 -1.00 0.00 0.00 59.36 58.30 6msf h GLU 102 Cb 0.34 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 6msf h GLU 102 CO 0.02 0.67 0.31 1.25 -1.00 0.00 0.00 179.01 180.26 6msf h LEU 103 N 0.56 0.49 -0.45 1.33 5.85 -0.67 -0.28 115.31 122.14 6msf h LEU 103 Ca 0.14 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.91 6msf h LEU 103 Cb 0.28 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 6msf h LEU 103 CO -0.00 0.34 0.23 0.40 -0.34 0.00 0.00 178.44 179.07 6msf h ILE 104 N 0.61 0.98 -0.63 4.05 2.04 -1.07 -0.50 117.51 123.00 6msf h ILE 104 Ca 0.23 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.94 6msf h ILE 104 Cb 0.08 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 6msf h ILE 104 CO -0.13 0.08 0.41 0.58 0.00 0.00 0.00 178.15 179.10 6msf h VAL 105 N 0.46 1.16 -0.52 1.67 2.07 -0.65 -1.92 116.25 118.52 6msf h VAL 105 Ca 0.19 -0.31 0.05 0.00 0.82 0.00 0.00 66.70 67.45 6msf h VAL 105 Cb 0.08 0.25 -0.05 0.00 -1.52 0.00 0.00 31.29 30.06 6msf h VAL 105 CO -0.12 0.16 0.26 0.11 0.02 0.00 0.00 177.57 178.00 6msf h LYS 106 N 0.85 0.50 -0.84 1.57 1.57 -0.34 -0.37 116.57 119.51 6msf h LYS 106 Ca 0.23 -0.03 0.05 0.00 -1.87 0.00 0.00 60.65 59.02 6msf h LYS 106 Cb -0.09 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.06 6msf h LYS 106 CO -0.05 0.33 0.55 0.00 -0.57 0.00 0.00 179.45 179.71 6msf h ALA 107 N 1.28 1.52 -0.42 3.86 0.00 -0.62 0.22 119.26 125.11 6msf h ALA 107 Ca 0.23 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 6msf h ALA 107 Cb 0.14 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 6msf h ALA 107 CO -0.16 0.38 -0.21 0.52 0.00 0.00 0.00 179.25 179.77 6msf h MET 108 N 0.99 0.89 -0.57 0.00 2.86 -0.49 -0.47 114.93 118.13 6msf h MET 108 Ca 0.34 -0.39 -0.03 0.00 -2.06 0.00 0.00 59.70 57.56 6msf h MET 108 Cb 0.11 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.72 6msf h MET 108 CO -0.11 1.04 0.24 1.96 1.06 0.00 0.00 176.91 181.10 6msf h GLN 109 N 0.71 0.84 -0.59 1.72 4.20 -0.08 -2.83 115.11 119.09 6msf h GLN 109 Ca 0.09 -0.14 -0.06 0.00 0.06 0.00 0.00 58.65 58.60 6msf h GLN 109 Cb 0.78 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.39 6msf h GLN 109 CO 0.06 0.71 0.13 0.78 -0.67 0.00 0.00 178.83 179.85 6msf h GLY 110 N 0.78 1.03 0.31 3.46 0.00 -0.42 -1.54 103.07 106.69 6msf h GLY 110 Ca 0.19 -0.65 0.16 0.00 0.00 0.00 0.00 47.33 47.03 6msf h GLY 110 CO -0.02 0.61 0.62 -2.00 0.00 0.00 0.00 176.54 175.75 6msf h LEU 111 N 0.86 0.81 -2.71 3.11 5.85 -0.84 -2.57 115.31 119.82 6msf h LEU 111 Ca 0.18 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.97 6msf h LEU 111 Cb 0.37 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.31 6msf h LEU 111 CO 0.00 0.36 0.00 0.18 -0.34 0.00 0.00 178.44 178.65 6msf n LEU 112 N -4.67 3.46 -4.73 2.25 4.77 -1.06 -4.47 117.00 112.56 6msf n LEU 112 Ca 0.21 -1.91 -0.41 0.00 -0.03 0.00 0.00 56.01 53.87 6msf n LEU 112 Cb 0.48 -0.35 0.01 0.00 -2.33 0.00 0.00 43.42 41.23 6msf n LEU 112 CO 0.25 0.85 0.98 1.17 -1.33 0.00 0.00 177.39 179.31 6msf n LYS 113 N 1.19 2.11 -1.64 3.23 4.81 -0.60 -4.80 118.16 122.46 6msf n LYS 113 Ca 0.19 0.75 -0.45 0.00 -0.87 0.00 0.00 58.31 57.93 6msf n LYS 113 Cb 0.54 -2.50 -0.02 0.00 0.02 0.00 0.00 35.03 33.06 6msf n LYS 113 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 6msf n ASP 114 N 0.07 2.12 0.00 3.14 2.03 -1.26 -1.85 116.55 120.81 6msf n ASP 114 Ca 0.06 1.16 0.00 0.00 0.52 0.00 0.00 54.79 56.53 6msf n ASP 114 Cb 0.40 -1.36 0.00 0.00 -0.72 0.00 0.00 41.12 39.44 6msf n ASP 114 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 6msf n GLY 115 N 1.66 1.62 3.88 0.27 0.00 -1.26 -5.05 105.19 106.32 6msf n GLY 115 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 6msf n GLY 115 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 6msf s ASN 116 N -2.66 6.30 0.09 1.61 0.01 -0.77 -4.90 114.94 114.62 6msf s ASN 116 Ca 0.00 1.18 -0.19 0.00 -0.71 0.00 0.00 52.86 53.14 6msf s ASN 116 Cb 0.00 -2.36 -0.05 0.00 0.41 0.00 0.00 41.25 39.25 6msf s ASN 116 CO 0.00 -0.67 1.33 -0.65 -1.51 0.00 0.00 177.10 175.59 6msf h PRO 117 N 0.17 -0.11 0.15 -0.60 0.11 -1.89 -1.91 132.00 127.92 6msf h PRO 117 Ca -0.46 0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.68 6msf h PRO 117 Cb 1.20 0.02 -0.04 0.00 0.11 0.00 0.00 31.00 32.29 6msf h PRO 117 CO 0.62 -0.07 -0.41 0.82 -0.21 0.00 0.00 178.00 178.75 6msf h ILE 118 N -0.11 0.17 -0.44 4.15 1.08 -1.95 0.61 117.51 121.02 6msf h ILE 118 Ca 0.07 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.55 6msf h ILE 118 Cb 0.30 0.17 -0.02 0.00 -3.07 0.00 0.00 36.82 34.19 6msf h ILE 118 CO -0.47 0.00 0.29 1.55 -0.69 0.00 0.00 178.15 178.83 6msf h PRO 119 N -0.67 0.54 -0.58 2.37 0.13 -1.77 -1.40 132.00 130.62 6msf h PRO 119 Ca 0.01 -0.03 -0.09 0.00 -0.87 0.00 0.00 66.00 65.02 6msf h PRO 119 Cb 0.68 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 31.67 6msf h PRO 119 CO -0.22 0.36 0.01 0.77 -0.23 0.00 0.00 178.00 178.69 6msf h SER 120 N 0.56 1.00 -0.06 1.44 0.02 -0.70 -0.87 113.55 114.95 6msf h SER 120 Ca 0.16 -0.30 -0.01 0.00 -0.84 0.00 0.00 61.79 60.80 6msf h SER 120 Cb -0.02 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.25 6msf h SER 120 CO -0.04 1.06 -0.01 0.00 -1.14 0.00 0.00 176.83 176.70 6msf h ALA 121 N 0.98 0.08 0.16 3.77 0.00 -0.27 -2.82 119.26 121.16 6msf h ALA 121 Ca 0.17 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.89 6msf h ALA 121 Cb 0.54 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 6msf h ALA 121 CO 0.03 -0.22 -0.19 0.82 0.00 0.00 0.00 179.25 179.69 6msf h ILE 122 N -0.23 0.58 0.00 0.00 2.04 -1.21 0.25 117.51 118.94 6msf h ILE 122 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.87 6msf h ILE 122 Cb 0.39 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 6msf h ILE 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.15 6msf n ALA 123 N -2.44 1.05 -0.84 1.87 0.00 -0.34 -1.46 120.51 118.35 6msf n ALA 123 Ca -0.07 0.12 0.08 0.00 0.00 0.00 0.00 53.44 53.57 6msf n ALA 123 Cb 0.23 -1.20 0.19 0.00 0.00 0.00 0.00 19.45 18.66 6msf n ALA 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 6msf n ALA 124 N -1.67 2.58 -3.47 0.00 0.00 -0.62 -4.96 120.51 112.37 6msf n ALA 124 Ca -0.01 -2.17 -0.25 0.00 0.00 0.00 0.00 53.44 51.01 6msf n ALA 124 Cb 0.03 -0.51 0.02 0.00 0.00 0.00 0.00 19.45 18.98 6msf n ALA 124 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 6msf n ASN 125 N -0.70 -4.76 -4.45 0.00 3.02 -0.53 -4.94 115.26 102.91 6msf n ASN 125 Ca 0.17 -0.50 -0.26 0.00 -0.03 0.00 0.00 54.58 53.96 6msf n ASN 125 Cb 0.70 -3.85 -0.09 0.00 -0.61 0.00 0.00 39.78 35.93 6msf n ASN 125 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 6msf s SER 126 N -2.92 3.10 0.00 6.41 0.01 -0.02 -5.04 113.70 115.24 6msf s SER 126 Ca 0.47 -1.52 0.00 0.00 1.31 0.00 0.00 55.95 56.21 6msf s SER 126 Cb -0.23 0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.16 6msf s SER 126 CO 0.58 -0.73 0.00 0.61 0.41 0.00 0.00 173.24 174.11 6msf n GLY 127 N -0.92 4.67 3.89 3.44 0.00 -1.26 -4.24 105.19 110.77 6msf n GLY 127 Ca -0.07 -1.97 -0.35 0.00 0.00 0.00 0.00 46.02 43.63 6msf n GLY 127 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 6msf s ILE 128 N 1.81 5.44 0.00 -0.61 -1.09 -1.26 -4.81 121.20 120.69 6msf s ILE 128 Ca 0.00 -0.00 0.00 0.00 -2.23 0.00 0.00 60.65 58.42 6msf s ILE 128 Cb 0.00 -3.50 0.00 0.00 -1.58 0.00 0.00 42.46 37.38 6msf s ILE 128 CO 0.00 0.42 0.00 0.00 -1.23 0.00 0.00 174.94 174.13