#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 5msf s SER 2 N 0.00 -0.43 0.00 0.00 0.15 -1.26 -5.01 113.70 107.15 5msf s SER 2 Ca 0.00 0.70 0.14 0.00 0.70 0.00 0.00 55.95 57.49 5msf s SER 2 Cb 0.00 1.12 0.22 0.00 -1.71 0.00 0.00 66.02 65.65 5msf s SER 2 CO 0.00 -0.11 1.11 -0.46 1.20 0.00 0.00 173.24 174.97 5msf n ASN 3 N 3.42 2.60 -3.82 5.45 6.94 -1.26 -4.63 115.26 123.96 5msf n ASN 3 Ca -0.18 -1.76 -0.42 0.00 -0.02 0.00 0.00 54.58 52.20 5msf n ASN 3 Cb 0.57 -0.12 0.01 0.00 -2.36 0.00 0.00 39.78 37.88 5msf n ASN 3 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 5msf n PHE 4 N 0.83 2.71 -4.56 -2.53 7.35 -1.26 -4.91 117.46 115.09 5msf n PHE 4 Ca 0.11 -2.73 -0.26 0.00 -0.76 0.00 0.00 57.45 53.81 5msf n PHE 4 Cb 0.41 -1.75 -0.09 0.00 0.35 0.00 0.00 39.48 38.41 5msf n PHE 4 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 5msf s THR 5 N -0.73 0.85 0.47 -2.13 -4.23 -1.26 -4.79 115.64 103.80 5msf s THR 5 Ca 0.40 -2.00 -0.20 0.00 -1.18 0.00 0.00 61.69 58.71 5msf s THR 5 Cb 0.10 -2.40 -0.10 0.00 1.34 0.00 0.00 72.50 71.44 5msf s THR 5 CO 0.01 0.00 0.98 0.00 -0.54 0.00 0.00 174.62 175.06 5msf s GLN 6 N -3.77 4.06 0.17 3.99 -2.07 -1.26 -4.53 119.66 116.25 5msf s GLN 6 Ca 0.23 1.11 -0.15 0.00 -1.82 0.00 0.00 55.36 54.73 5msf s GLN 6 Cb 0.04 -2.15 0.02 0.00 -1.09 0.00 0.00 33.01 29.83 5msf s GLN 6 CO 0.13 -0.18 0.43 -0.59 -1.32 0.00 0.00 175.29 173.76 5msf s PHE 7 N -2.28 -0.03 -0.36 9.60 -0.71 -0.72 -5.00 117.98 118.49 5msf s PHE 7 Ca 0.62 -0.32 -0.26 0.00 -1.04 0.00 0.00 56.93 55.94 5msf s PHE 7 Cb -0.10 0.25 0.01 0.00 -1.21 0.00 0.00 43.02 41.97 5msf s PHE 7 CO 0.20 -0.80 0.92 0.08 -1.34 0.00 0.00 175.22 174.28 5msf s VAL 8 N -3.87 4.60 -0.03 -2.49 1.01 -1.26 -1.40 120.40 116.96 5msf s VAL 8 Ca 0.09 1.25 -0.09 0.00 0.00 0.00 0.00 61.98 63.22 5msf s VAL 8 Cb 0.01 -4.32 -0.30 0.00 0.00 0.00 0.00 36.38 31.77 5msf s VAL 8 CO -0.05 -0.50 0.74 0.25 0.00 0.00 0.00 175.10 175.54 5msf h LEU 9 N 10.00 0.58 -7.88 3.92 5.85 -1.28 -3.45 115.31 123.05 5msf h LEU 9 Ca -0.23 -0.83 -0.60 0.00 0.84 0.00 0.00 57.88 57.06 5msf h LEU 9 Cb 1.08 -0.19 -0.36 0.00 0.37 0.00 0.00 40.66 41.56 5msf h LEU 9 CO 0.97 1.70 -0.83 -0.69 -0.34 0.00 0.00 178.44 179.25 5msf s VAL 10 N -2.59 1.56 -1.10 1.05 1.01 -0.99 -4.99 120.40 114.34 5msf s VAL 10 Ca -0.14 -0.65 -0.12 0.00 0.00 0.00 0.00 61.98 61.07 5msf s VAL 10 Cb 0.06 -1.48 0.22 0.00 0.00 0.00 0.00 36.38 35.18 5msf s VAL 10 CO 0.86 0.43 1.20 -0.62 0.00 0.00 0.00 175.10 176.97 5msf s ASP 11 N 1.49 7.12 -1.16 3.32 -1.08 -1.26 -1.48 116.67 123.61 5msf s ASP 11 Ca 0.04 -3.16 -0.09 0.00 -0.52 0.00 0.00 52.55 48.83 5msf s ASP 11 Cb -0.13 -2.30 0.24 0.00 -1.46 0.00 0.00 42.92 39.27 5msf s ASP 11 CO -0.10 -0.55 1.45 0.59 0.52 0.00 0.00 175.17 177.08 5msf n ASN 12 N 4.22 5.62 0.00 -0.34 3.02 -1.26 -4.93 115.26 121.60 5msf n ASN 12 Ca 0.28 -3.14 0.00 0.00 -0.03 0.00 0.00 54.58 51.68 5msf n ASN 12 Cb 0.42 -1.41 0.00 0.00 -0.61 0.00 0.00 39.78 38.18 5msf n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 5msf n GLY 13 N 2.64 1.80 0.02 7.41 0.00 -1.26 -3.05 105.19 112.75 5msf n GLY 13 Ca 0.31 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.90 5msf n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 5msf n GLY 14 N 0.00 -0.68 0.00 -0.02 0.00 -1.26 -4.89 105.19 98.34 5msf n GLY 14 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 5msf n GLY 14 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 5msf n THR 15 N -0.20 0.00 -0.08 2.61 -1.04 -1.17 -4.74 114.28 109.67 5msf n THR 15 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 5msf n THR 15 Cb 0.43 -0.50 0.00 0.00 -1.82 0.00 0.00 70.33 68.43 5msf n THR 15 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 5msf n GLY 16 N 3.44 1.09 3.72 3.41 0.00 -1.21 -4.85 105.19 110.79 5msf n GLY 16 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 5msf n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 5msf s ASP 17 N 1.82 6.82 -0.24 1.61 1.01 -1.26 -4.45 116.67 121.98 5msf s ASP 17 Ca 0.00 2.34 -0.15 0.00 0.71 0.00 0.00 52.55 55.45 5msf s ASP 17 Cb 0.00 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 5msf s ASP 17 CO 0.00 -0.65 0.37 -0.69 0.21 0.00 0.00 175.17 174.40 5msf s VAL 18 N 1.04 5.20 -0.05 -1.27 1.01 -0.55 -4.98 120.40 120.80 5msf s VAL 18 Ca 0.64 0.59 0.05 0.00 0.00 0.00 0.00 61.98 63.26 5msf s VAL 18 Cb -0.37 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.29 5msf s VAL 18 CO 0.31 0.21 -0.19 -0.89 0.00 0.00 0.00 175.10 174.54 5msf s THR 19 N 1.71 2.66 0.01 3.92 2.01 -1.26 -0.72 115.64 123.97 5msf s THR 19 Ca 0.16 -0.87 0.06 0.00 0.31 0.00 0.00 61.69 61.35 5msf s THR 19 Cb -0.15 -2.01 -0.03 0.00 0.01 0.00 0.00 72.50 70.32 5msf s THR 19 CO 0.09 0.58 -0.16 0.68 -0.69 0.00 0.00 174.62 175.12 5msf s VAL 20 N -0.55 2.97 0.10 3.82 -7.23 -0.49 -4.11 120.40 114.90 5msf s VAL 20 Ca 0.08 -0.99 0.08 0.00 -1.81 0.00 0.00 61.98 59.34 5msf s VAL 20 Cb -0.11 -2.22 -0.03 0.00 0.56 0.00 0.00 36.38 34.57 5msf s VAL 20 CO 0.01 0.43 -0.22 0.00 -0.31 0.00 0.00 175.10 175.01 5msf s ALA 21 N -0.87 1.87 0.13 1.32 0.00 -0.51 -1.75 121.76 121.96 5msf s ALA 21 Ca 0.14 -1.24 -0.35 0.00 0.00 0.00 0.00 51.96 50.51 5msf s ALA 21 Cb -0.11 -0.28 -0.16 0.00 0.00 0.00 0.00 23.12 22.58 5msf s ALA 21 CO 0.04 0.39 1.30 -2.30 0.00 0.00 0.00 175.76 175.19 5msf n PRO 22 N 1.19 1.30 0.00 0.00 -0.02 -1.26 -1.31 135.00 134.90 5msf n PRO 22 Ca -0.19 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 5msf n PRO 22 Cb 0.53 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 5msf n PRO 22 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 5msf n SER 23 N 2.40 3.21 -3.55 2.55 3.41 0.42 -4.84 113.62 117.23 5msf n SER 23 Ca 0.17 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.60 5msf n SER 23 Cb 0.23 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.11 5msf n SER 23 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 5msf s ASN 24 N -4.02 -0.65 -0.35 4.04 3.84 -1.16 -5.03 114.94 111.61 5msf s ASN 24 Ca 0.00 0.81 0.15 0.00 0.21 0.00 0.00 52.86 54.03 5msf s ASN 24 Cb 0.00 0.68 0.40 0.00 -0.55 0.00 0.00 41.25 41.79 5msf s ASN 24 CO 0.00 -0.54 0.85 0.33 -2.79 0.00 0.00 177.10 174.95 5msf n PHE 25 N 1.23 0.80 -3.56 0.43 -0.00 -1.26 -0.75 117.46 114.36 5msf n PHE 25 Ca -0.18 -3.31 -0.38 0.00 -0.00 0.00 0.00 57.45 53.58 5msf n PHE 25 Cb 0.57 -0.39 -0.06 0.00 -0.00 0.00 0.00 39.48 39.59 5msf n PHE 25 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 5msf s ALA 26 N -2.81 3.72 -1.33 3.13 0.00 -1.22 -4.42 121.76 118.84 5msf s ALA 26 Ca 0.34 -0.28 -0.04 0.00 0.00 0.00 0.00 51.96 51.98 5msf s ALA 26 Cb 0.40 -2.33 0.02 0.00 0.00 0.00 0.00 23.12 21.21 5msf s ALA 26 CO -0.02 0.49 0.89 0.09 0.00 0.00 0.00 175.76 177.21 5msf n ASN 27 N 1.90 -2.75 -0.53 0.00 4.13 -1.26 -2.21 115.26 114.55 5msf n ASN 27 Ca -0.15 -0.72 -0.07 0.00 1.68 0.00 0.00 54.58 55.32 5msf n ASN 27 Cb 0.53 -4.43 -0.03 0.00 -1.54 0.00 0.00 39.78 34.31 5msf n ASN 27 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 5msf n GLY 28 N -1.54 0.75 3.11 7.41 0.00 -1.26 -4.96 105.19 108.69 5msf n GLY 28 Ca -0.19 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 5msf n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 5msf s VAL 29 N -1.79 2.57 0.21 1.61 1.01 -0.94 -4.46 120.40 118.61 5msf s VAL 29 Ca 0.00 -1.66 -0.30 0.00 0.00 0.00 0.00 61.98 60.02 5msf s VAL 29 Cb 0.00 -2.56 -0.08 0.00 0.00 0.00 0.00 36.38 33.73 5msf s VAL 29 CO 0.00 -0.18 0.98 0.00 0.00 0.00 0.00 175.10 175.91 5msf s ALA 30 N 1.14 3.33 -0.03 5.51 0.00 -0.30 -3.41 121.76 127.99 5msf s ALA 30 Ca -0.04 0.67 0.01 0.00 0.00 0.00 0.00 51.96 52.60 5msf s ALA 30 Cb -0.20 -3.26 0.02 0.00 0.00 0.00 0.00 23.12 19.68 5msf s ALA 30 CO -0.04 0.06 -0.03 -2.00 0.00 0.00 0.00 175.76 173.75 5msf s GLU 31 N -0.83 0.53 0.05 0.00 2.12 0.07 -1.09 118.70 119.55 5msf s GLU 31 Ca 0.44 -0.04 0.07 0.00 0.36 0.00 0.00 54.97 55.80 5msf s GLU 31 Cb -0.26 -0.60 -0.03 0.00 0.26 0.00 0.00 34.13 33.49 5msf s GLU 31 CO 0.33 -0.07 -0.17 -1.58 -0.54 0.00 0.00 175.26 173.24 5msf s TRP 32 N 0.76 2.59 -0.01 5.30 0.51 0.11 -0.43 118.94 127.76 5msf s TRP 32 Ca -0.09 -0.23 -0.01 0.00 -2.12 0.00 0.00 56.10 53.65 5msf s TRP 32 Cb -0.12 -1.45 0.01 0.00 -0.81 0.00 0.00 33.47 31.09 5msf s TRP 32 CO -0.01 0.30 0.03 0.42 -0.51 0.00 0.00 176.95 177.18 5msf s ILE 33 N -0.99 -0.01 0.78 2.03 -1.09 -0.42 -1.62 121.20 119.89 5msf s ILE 33 Ca 0.16 0.03 -0.11 0.00 -2.23 0.00 0.00 60.65 58.49 5msf s ILE 33 Cb -0.11 -0.06 0.06 0.00 -1.58 0.00 0.00 42.46 40.78 5msf s ILE 33 CO 0.07 0.01 1.09 -0.94 -1.23 0.00 0.00 174.94 173.93 5msf s SER 34 N 0.15 4.56 0.91 3.58 1.04 -0.76 -1.42 113.70 121.75 5msf s SER 34 Ca -0.01 1.48 -0.12 0.00 0.48 0.00 0.00 55.95 57.78 5msf s SER 34 Cb -0.02 -2.24 0.14 0.00 0.10 0.00 0.00 66.02 63.99 5msf s SER 34 CO -0.00 -1.95 1.12 -0.55 0.98 0.00 0.00 173.24 172.84 5msf s SER 35 N -3.73 3.51 0.05 7.02 0.15 -1.26 -4.69 113.70 114.75 5msf s SER 35 Ca 0.60 1.08 0.00 0.00 0.70 0.00 0.00 55.95 58.34 5msf s SER 35 Cb -0.15 -1.70 0.00 0.00 -1.71 0.00 0.00 66.02 62.46 5msf s SER 35 CO 0.55 -2.56 0.00 0.59 1.20 0.00 0.00 173.24 173.02 5msf n ASN 36 N -3.79 -0.79 -2.60 5.45 3.02 -1.26 -4.81 115.26 110.48 5msf n ASN 36 Ca 0.06 0.12 -0.37 0.00 -0.03 0.00 0.00 54.58 54.36 5msf n ASN 36 Cb 0.58 -0.34 -0.06 0.00 -0.61 0.00 0.00 39.78 39.35 5msf n ASN 36 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 5msf n SER 37 N -0.91 0.61 0.18 6.41 7.64 -1.26 -4.72 113.62 121.57 5msf n SER 37 Ca 0.00 0.59 0.15 0.00 1.01 0.00 0.00 58.87 60.62 5msf n SER 37 Cb 0.05 -0.50 0.75 0.00 -1.01 0.00 0.00 64.21 63.51 5msf n SER 37 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 5msf h ARG 38 N 3.47 0.00 0.00 1.43 9.65 -1.90 -0.67 114.38 126.36 5msf h ARG 38 Ca -0.19 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.67 5msf h ARG 38 Cb 0.78 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.36 5msf h ARG 38 CO 0.57 0.00 -0.10 0.66 2.80 0.00 0.00 179.97 183.90 5msf h SER 39 N 0.00 0.00 -0.12 -3.80 4.64 -1.86 -2.60 113.55 109.81 5msf h SER 39 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 5msf h SER 39 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 5msf h SER 39 CO -0.00 0.10 0.00 0.00 -0.87 0.00 0.00 176.83 176.06 5msf n GLN 40 N -3.57 2.51 -2.56 4.77 6.02 -0.29 -3.70 117.38 120.55 5msf n GLN 40 Ca -0.02 -2.13 -0.31 0.00 -0.01 0.00 0.00 57.00 54.54 5msf n GLN 40 Cb 0.22 -1.33 -0.03 0.00 1.02 0.00 0.00 30.24 30.13 5msf n GLN 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 5msf s ALA 41 N -1.80 3.22 0.25 -1.58 0.00 -0.98 -4.83 121.76 116.03 5msf s ALA 41 Ca 0.20 -0.06 -0.18 0.00 0.00 0.00 0.00 51.96 51.93 5msf s ALA 41 Cb 0.16 -2.90 -0.08 0.00 0.00 0.00 0.00 23.12 20.30 5msf s ALA 41 CO 0.06 -0.19 0.72 0.71 0.00 0.00 0.00 175.76 177.06 5msf s TYR 42 N -2.57 3.56 -0.01 0.00 1.51 -1.26 -4.62 117.35 113.95 5msf s TYR 42 Ca 0.54 1.31 0.04 0.00 -1.01 0.00 0.00 57.07 57.95 5msf s TYR 42 Cb -0.10 -2.58 -0.01 0.00 -0.11 0.00 0.00 41.96 39.16 5msf s TYR 42 CO 0.34 0.27 -0.12 0.21 -1.11 0.00 0.00 175.55 175.14 5msf s LYS 43 N -2.29 0.98 -0.03 -0.62 2.20 -1.10 -1.82 119.74 117.06 5msf s LYS 43 Ca 0.46 -0.43 0.01 0.00 -0.36 0.00 0.00 55.97 55.65 5msf s LYS 43 Cb -0.15 -0.95 0.02 0.00 -1.51 0.00 0.00 37.83 35.25 5msf s LYS 43 CO 0.20 0.26 -0.01 0.08 -0.36 0.00 0.00 175.35 175.52 5msf s VAL 44 N -0.28 0.20 0.06 4.02 1.01 -0.64 -0.68 120.40 124.09 5msf s VAL 44 Ca 0.05 0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.11 5msf s VAL 44 Cb -0.05 -0.27 -0.03 0.00 0.00 0.00 0.00 36.38 36.03 5msf s VAL 44 CO -0.00 0.14 -0.10 0.42 0.00 0.00 0.00 175.10 175.55 5msf s THR 45 N 0.87 0.80 -0.09 3.92 -4.23 -0.24 0.04 115.64 116.72 5msf s THR 45 Ca -0.09 -1.29 -0.16 0.00 -1.18 0.00 0.00 61.69 58.97 5msf s THR 45 Cb -0.12 -0.94 0.04 0.00 1.34 0.00 0.00 72.50 72.82 5msf s THR 45 CO -0.01 -0.38 0.39 0.00 -0.54 0.00 0.00 174.62 174.07 5msf s SER 47 N -0.54 -0.54 0.03 0.00 1.04 -0.88 -1.15 113.70 111.65 5msf s SER 47 Ca -0.07 0.52 0.04 0.00 0.48 0.00 0.00 55.95 56.92 5msf s SER 47 Cb -0.04 0.49 -0.02 0.00 0.10 0.00 0.00 66.02 66.56 5msf s SER 47 CO 0.03 -0.60 -0.11 0.54 0.98 0.00 0.00 173.24 174.08 5msf s VAL 48 N -1.43 0.82 0.21 5.02 0.11 -1.26 -0.51 120.40 123.37 5msf s VAL 48 Ca -0.11 -0.91 -0.20 0.00 -2.93 0.00 0.00 61.98 57.84 5msf s VAL 48 Cb -0.01 -0.78 0.04 0.00 -1.53 0.00 0.00 36.38 34.09 5msf s VAL 48 CO 0.07 -0.10 0.61 0.00 -3.33 0.00 0.00 175.10 172.34 5msf s ARG 49 N -1.12 1.49 -0.75 1.54 3.03 -0.64 -4.97 118.95 117.52 5msf s ARG 49 Ca -0.02 -0.81 -0.23 0.00 2.03 0.00 0.00 55.73 56.71 5msf s ARG 49 Cb -0.08 0.57 0.07 0.00 -1.03 0.00 0.00 34.95 34.48 5msf s ARG 49 CO 0.01 -0.65 1.09 -1.14 -1.13 0.00 0.00 175.30 173.47 5msf s GLN 50 N -3.86 3.25 0.35 3.89 2.00 -1.26 0.38 119.66 124.41 5msf s GLN 50 Ca 0.08 -0.92 0.12 0.00 -2.00 0.00 0.00 55.36 52.64 5msf s GLN 50 Cb -0.03 -4.44 0.63 0.00 0.80 0.00 0.00 33.01 29.98 5msf s GLN 50 CO -0.02 -1.90 1.77 0.66 -0.50 0.00 0.00 175.29 175.30 5msf h SER 51 N 9.54 0.00 -3.05 6.67 4.64 -1.72 -3.47 113.55 126.15 5msf h SER 51 Ca -0.17 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.02 5msf h SER 51 Cb 1.05 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.12 5msf h SER 51 CO 1.21 0.43 0.03 -1.54 -0.87 0.00 0.00 176.83 176.09 5msf n SER 52 N -4.00 -1.40 -0.15 4.97 3.41 -1.14 -4.99 113.62 110.32 5msf n SER 52 Ca -0.02 -2.38 0.02 0.00 -0.26 0.00 0.00 58.87 56.24 5msf n SER 52 Cb 0.46 2.45 0.31 0.00 -0.26 0.00 0.00 64.21 67.17 5msf n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 5msf h ALA 53 N 1.95 1.56 -0.01 7.33 0.00 -2.03 -3.15 119.26 124.92 5msf h ALA 53 Ca -0.24 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.63 5msf h ALA 53 Cb 0.95 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.48 5msf h ALA 53 CO 0.31 0.40 -0.34 1.04 0.00 0.00 0.00 179.25 180.65 5msf n GLN 54 N -4.44 2.48 -4.70 0.00 6.02 -1.26 -4.94 117.38 110.53 5msf n GLN 54 Ca 0.07 -0.42 -0.31 0.00 -0.01 0.00 0.00 57.00 56.33 5msf n GLN 54 Cb 0.06 -1.09 -0.12 0.00 1.02 0.00 0.00 30.24 30.10 5msf n GLN 54 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 5msf s ASN 55 N -1.70 3.98 -0.04 1.08 0.01 -1.19 -0.13 114.94 116.95 5msf s ASN 55 Ca 0.08 -0.32 0.05 0.00 -0.71 0.00 0.00 52.86 51.95 5msf s ASN 55 Cb 0.09 -0.74 -0.03 0.00 0.41 0.00 0.00 41.25 40.98 5msf s ASN 55 CO 0.35 0.28 -0.17 -0.13 -1.51 0.00 0.00 177.10 175.93 5msf s ARG 56 N -1.24 2.40 -0.09 -0.60 0.52 -0.62 -2.02 118.95 117.29 5msf s ARG 56 Ca 0.14 -0.76 0.01 0.00 -0.52 0.00 0.00 55.73 54.60 5msf s ARG 56 Cb -0.11 -2.30 0.02 0.00 0.52 0.00 0.00 34.95 33.08 5msf s ARG 56 CO 0.04 0.61 -0.11 0.21 0.02 0.00 0.00 175.30 176.07 5msf s LYS 57 N -0.77 1.68 -0.02 3.54 2.20 0.16 -0.91 119.74 125.62 5msf s LYS 57 Ca 0.11 -0.37 -0.09 0.00 -0.36 0.00 0.00 55.97 55.27 5msf s LYS 57 Cb -0.10 -1.53 -0.05 0.00 -1.51 0.00 0.00 37.83 34.64 5msf s LYS 57 CO 0.01 -0.10 0.27 0.71 -0.36 0.00 0.00 175.35 175.88 5msf s TYR 58 N 1.12 3.62 -0.24 4.03 1.51 0.47 -1.62 117.35 126.24 5msf s TYR 58 Ca -0.06 0.67 -0.01 0.00 -1.01 0.00 0.00 57.07 56.67 5msf s TYR 58 Cb -0.14 -2.06 0.07 0.00 -0.11 0.00 0.00 41.96 39.72 5msf s TYR 58 CO -0.02 0.65 0.01 0.99 -1.11 0.00 0.00 175.55 176.07 5msf s THR 59 N -1.18 1.08 -0.00 -0.71 2.01 0.34 -1.28 115.64 115.89 5msf s THR 59 Ca 0.24 -1.07 0.01 0.00 0.31 0.00 0.00 61.69 61.18 5msf s THR 59 Cb -0.14 -1.54 -0.04 0.00 0.01 0.00 0.00 72.50 70.79 5msf s THR 59 CO 0.12 -0.28 0.00 -0.63 -0.69 0.00 0.00 174.62 173.15 5msf s ILE 60 N 1.58 4.15 0.00 1.82 -1.09 -0.17 -2.08 121.20 125.42 5msf s ILE 60 Ca -0.00 -0.60 0.00 0.00 -2.23 0.00 0.00 60.65 57.83 5msf s ILE 60 Cb -0.18 -2.85 -0.00 0.00 -1.58 0.00 0.00 42.46 37.85 5msf s ILE 60 CO -0.11 0.38 -0.02 -0.54 -1.23 0.00 0.00 174.94 173.43 5msf s LYS 61 N -1.55 0.15 0.00 2.79 1.02 -0.14 -1.04 119.74 120.98 5msf s LYS 61 Ca 0.19 -0.11 0.01 0.00 0.02 0.00 0.00 55.97 56.08 5msf s LYS 61 Cb -0.11 -0.11 -0.01 0.00 -0.52 0.00 0.00 37.83 37.08 5msf s LYS 61 CO 0.10 0.03 -0.05 0.08 -0.92 0.00 0.00 175.35 174.59 5msf s VAL 62 N -0.17 0.35 -0.10 3.17 1.01 -0.27 -1.07 120.40 123.30 5msf s VAL 62 Ca -0.01 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.69 5msf s VAL 62 Cb -0.02 -0.32 0.02 0.00 0.00 0.00 0.00 36.38 36.06 5msf s VAL 62 CO -0.00 0.03 -0.14 -1.61 0.00 0.00 0.00 175.10 173.38 5msf s GLU 63 N -0.30 2.04 -0.24 2.72 2.02 0.14 -0.89 118.70 124.18 5msf s GLU 63 Ca -0.00 -0.49 -0.03 0.00 0.02 0.00 0.00 54.97 54.47 5msf s GLU 63 Cb -0.03 -1.78 0.01 0.00 0.10 0.00 0.00 34.13 32.44 5msf s GLU 63 CO -0.00 -0.09 -0.04 0.08 0.02 0.00 0.00 175.26 175.23 5msf s VAL 64 N 1.07 3.15 0.28 2.63 1.01 -0.51 -2.69 120.40 125.34 5msf s VAL 64 Ca -0.05 -0.78 -0.03 0.00 0.00 0.00 0.00 61.98 61.11 5msf s VAL 64 Cb -0.15 -2.53 -0.05 0.00 0.00 0.00 0.00 36.38 33.66 5msf s VAL 64 CO -0.02 0.29 0.52 -2.16 0.00 0.00 0.00 175.10 173.73 5msf s PRO 65 N 1.40 3.59 -0.43 2.72 0.04 -1.26 -0.58 135.00 140.48 5msf s PRO 65 Ca 0.03 -0.10 -0.10 0.00 0.04 0.00 0.00 61.00 60.87 5msf s PRO 65 Cb -0.16 -2.68 0.08 0.00 0.04 0.00 0.00 34.50 31.78 5msf s PRO 65 CO -0.04 0.24 0.28 0.21 0.04 0.00 0.00 177.00 177.74 5msf s LYS 66 N -3.60 2.64 0.28 4.56 2.47 -0.76 -4.98 119.74 120.36 5msf s LYS 66 Ca 0.42 -1.47 -0.29 0.00 -1.56 0.00 0.00 55.97 53.07 5msf s LYS 66 Cb -0.11 -3.84 -0.10 0.00 -1.46 0.00 0.00 37.83 32.32 5msf s LYS 66 CO 0.31 -0.98 1.40 0.08 0.16 0.00 0.00 175.35 176.31 5msf s VAL 67 N 1.45 2.64 0.14 4.02 1.01 -1.26 -0.73 120.40 127.66 5msf s VAL 67 Ca 0.03 0.57 -0.24 0.00 0.00 0.00 0.00 61.98 62.35 5msf s VAL 67 Cb -0.23 -3.37 0.07 0.00 0.00 0.00 0.00 36.38 32.85 5msf s VAL 67 CO 0.02 0.11 0.70 0.00 0.00 0.00 0.00 175.10 175.93 5msf s ALA 68 N -0.43 -1.60 -0.22 5.51 0.00 -0.84 -4.76 121.76 119.43 5msf s ALA 68 Ca 0.56 0.47 -0.05 0.00 0.00 0.00 0.00 51.96 52.94 5msf s ALA 68 Cb -0.41 0.77 -0.02 0.00 0.00 0.00 0.00 23.12 23.46 5msf s ALA 68 CO 0.48 -0.81 -0.01 0.99 0.00 0.00 0.00 175.76 176.41 5msf s THR 69 N -3.61 3.71 -0.17 0.00 2.01 -1.26 -1.25 115.64 115.06 5msf s THR 69 Ca 0.04 -0.39 -0.13 0.00 0.31 0.00 0.00 61.69 61.52 5msf s THR 69 Cb -0.02 -2.69 -0.05 0.00 0.01 0.00 0.00 72.50 69.76 5msf s THR 69 CO -0.09 0.41 0.27 -1.58 -0.69 0.00 0.00 174.62 172.95 5msf s GLN 70 N 1.31 4.24 -0.16 4.92 0.74 -0.42 -4.91 119.66 125.39 5msf s GLN 70 Ca 0.04 0.04 0.01 0.00 0.05 0.00 0.00 55.36 55.50 5msf s GLN 70 Cb -0.15 -3.44 0.01 0.00 1.10 0.00 0.00 33.01 30.53 5msf s GLN 70 CO -0.00 0.22 -0.18 0.99 -0.55 0.00 0.00 175.29 175.77 5msf s THR 71 N 0.55 2.41 -0.12 -0.34 2.01 -1.26 -0.50 115.64 118.39 5msf s THR 71 Ca 0.15 -0.85 -0.04 0.00 0.31 0.00 0.00 61.69 61.26 5msf s THR 71 Cb -0.13 -2.01 0.06 0.00 0.01 0.00 0.00 72.50 70.44 5msf s THR 71 CO 0.03 0.52 0.20 -0.69 -0.69 0.00 0.00 174.62 173.99 5msf s VAL 72 N 0.93 -0.31 -0.13 3.82 1.01 -0.72 -4.79 120.40 120.21 5msf s VAL 72 Ca -0.03 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.20 5msf s VAL 72 Cb -0.15 -0.40 0.00 0.00 0.00 0.00 0.00 36.38 35.84 5msf s VAL 72 CO -0.03 0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.76 5msf n GLY 73 N 5.33 0.48 1.20 4.51 0.00 -1.26 -2.12 105.19 113.32 5msf n GLY 73 Ca -0.05 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.76 5msf n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 5msf n GLY 74 N -2.14 0.74 3.40 -0.02 0.00 -1.26 -5.04 105.19 100.88 5msf n GLY 74 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 5msf n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 5msf s VAL 75 N -2.28 4.39 -0.02 1.61 1.01 -0.90 -5.09 120.40 119.12 5msf s VAL 75 Ca 0.00 -0.56 -0.16 0.00 0.00 0.00 0.00 61.98 61.26 5msf s VAL 75 Cb 0.00 -3.27 -0.06 0.00 0.00 0.00 0.00 36.38 33.05 5msf s VAL 75 CO 0.00 0.04 0.45 -1.61 0.00 0.00 0.00 175.10 173.97 5msf s GLU 76 N 1.57 4.06 -0.02 2.72 2.02 -1.26 -1.76 118.70 126.04 5msf s GLU 76 Ca 0.04 0.47 0.03 0.00 0.02 0.00 0.00 54.97 55.53 5msf s GLU 76 Cb -0.17 -3.27 -0.00 0.00 0.10 0.00 0.00 34.13 30.78 5msf s GLU 76 CO 0.05 0.56 -0.11 -0.51 0.02 0.00 0.00 175.26 175.27 5msf s LEU 77 N -0.69 1.94 -0.15 1.80 1.43 0.34 -4.96 118.68 118.39 5msf s LEU 77 Ca 0.25 -0.21 -0.29 0.00 -1.03 0.00 0.00 54.13 52.85 5msf s LEU 77 Cb -0.17 -0.60 -0.01 0.00 0.03 0.00 0.00 46.19 45.44 5msf s LEU 77 CO 0.13 0.12 1.17 -2.84 0.23 0.00 0.00 176.35 175.17 5msf s PRO 78 N -0.11 4.28 0.15 1.29 0.02 -1.26 -1.30 135.00 138.08 5msf s PRO 78 Ca 0.02 1.57 0.03 0.00 0.02 0.00 0.00 61.00 62.64 5msf s PRO 78 Cb -0.06 -3.67 -0.01 0.00 0.02 0.00 0.00 34.50 30.78 5msf s PRO 78 CO -0.00 -0.59 0.12 1.33 -0.33 0.00 0.00 177.00 177.53 5msf n VAL 79 N 5.10 0.00 -4.01 3.83 0.24 -0.38 -4.68 118.33 118.44 5msf n VAL 79 Ca 0.12 -1.09 -0.34 0.00 -2.04 0.00 0.00 64.34 61.00 5msf n VAL 79 Cb 0.46 0.52 -0.15 0.00 -1.47 0.00 0.00 33.84 33.20 5msf n VAL 79 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 5msf s ALA 80 N -2.59 2.59 0.25 2.33 0.00 -1.24 -1.99 121.76 121.10 5msf s ALA 80 Ca 0.17 -1.37 -0.04 0.00 0.00 0.00 0.00 51.96 50.72 5msf s ALA 80 Cb 0.01 -1.52 0.47 0.00 0.00 0.00 0.00 23.12 22.07 5msf s ALA 80 CO 0.12 -0.64 1.73 0.00 0.00 0.00 0.00 175.76 176.97 5msf h ALA 81 N 7.98 1.09 -2.74 0.00 0.00 -1.23 -3.45 119.26 120.91 5msf h ALA 81 Ca -0.37 0.11 0.09 0.00 0.00 0.00 0.00 54.91 54.74 5msf h ALA 81 Cb 1.12 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 5msf h ALA 81 CO 0.59 -0.20 0.39 1.67 0.00 0.00 0.00 179.25 181.70 5msf s TRP 82 N -6.01 -0.01 0.01 0.00 1.48 -1.26 -5.03 118.94 108.13 5msf s TRP 82 Ca -0.12 -0.48 0.01 0.00 -1.06 0.00 0.00 56.10 54.44 5msf s TRP 82 Cb 0.21 0.74 -0.01 0.00 -1.16 0.00 0.00 33.47 33.24 5msf s TRP 82 CO 0.77 -1.19 -0.03 1.03 -4.06 0.00 0.00 176.95 173.46 5msf s ARG 83 N -2.79 0.26 -0.16 3.25 0.52 -1.26 -1.83 118.95 116.94 5msf s ARG 83 Ca 0.16 -0.37 -0.13 0.00 -0.52 0.00 0.00 55.73 54.86 5msf s ARG 83 Cb -0.04 -0.07 -0.05 0.00 0.52 0.00 0.00 34.95 35.31 5msf s ARG 83 CO 0.07 0.01 0.26 0.45 0.02 0.00 0.00 175.30 176.11 5msf s SER 84 N -0.80 6.41 -0.19 0.23 0.15 0.25 -4.94 113.70 114.81 5msf s SER 84 Ca -0.07 0.47 -0.03 0.00 0.70 0.00 0.00 55.95 57.03 5msf s SER 84 Cb -0.06 -2.16 -0.01 0.00 -1.71 0.00 0.00 66.02 62.08 5msf s SER 84 CO -0.00 0.14 -0.07 -0.31 1.20 0.00 0.00 173.24 174.19 5msf s TYR 85 N 0.32 2.92 -0.21 3.44 1.51 -1.26 -1.42 117.35 122.65 5msf s TYR 85 Ca 0.15 -0.82 -0.04 0.00 -1.01 0.00 0.00 57.07 55.36 5msf s TYR 85 Cb -0.13 -2.01 -0.01 0.00 -0.11 0.00 0.00 41.96 39.70 5msf s TYR 85 CO 0.03 -0.41 -0.04 -1.17 -1.11 0.00 0.00 175.55 172.85 5msf s LEU 86 N 1.04 2.96 -0.21 -1.29 2.96 -0.07 -5.00 118.68 119.07 5msf s LEU 86 Ca 0.00 -0.35 0.01 0.00 -0.22 0.00 0.00 54.13 53.57 5msf s LEU 86 Cb -0.15 -1.75 0.05 0.00 0.50 0.00 0.00 46.19 44.85 5msf s LEU 86 CO -0.01 0.01 -0.07 0.21 -1.32 0.00 0.00 176.35 175.17 5msf s ASN 87 N 1.29 3.48 0.06 3.68 3.84 -1.26 -1.12 114.94 124.91 5msf s ASN 87 Ca 0.04 -0.97 0.07 0.00 0.21 0.00 0.00 52.86 52.20 5msf s ASN 87 Cb -0.14 -1.15 -0.03 0.00 -0.55 0.00 0.00 41.25 39.38 5msf s ASN 87 CO -0.01 -0.19 -0.18 0.00 -2.79 0.00 0.00 177.10 173.92 5msf s MET 88 N 1.44 1.17 -0.09 0.43 0.23 -0.20 -5.02 119.30 117.26 5msf s MET 88 Ca -0.03 -0.93 0.02 0.00 -1.03 0.00 0.00 55.69 53.72 5msf s MET 88 Cb -0.17 -1.28 0.01 0.00 -1.53 0.00 0.00 34.83 31.86 5msf s MET 88 CO -0.07 0.32 -0.14 -1.21 -2.03 0.00 0.00 175.02 171.88 5msf s GLU 89 N -1.34 2.03 -0.17 3.16 2.02 -1.26 -1.00 118.70 122.14 5msf s GLU 89 Ca 0.05 -0.50 0.01 0.00 0.02 0.00 0.00 54.97 54.55 5msf s GLU 89 Cb -0.09 -1.72 0.02 0.00 0.10 0.00 0.00 34.13 32.44 5msf s GLU 89 CO 0.02 -0.04 -0.20 -1.17 0.02 0.00 0.00 175.26 173.89 5msf s LEU 90 N 0.91 2.11 -0.22 1.80 2.96 -0.41 -4.97 118.68 120.86 5msf s LEU 90 Ca -0.09 -0.64 -0.07 0.00 -0.22 0.00 0.00 54.13 53.12 5msf s LEU 90 Cb -0.15 -1.46 -0.03 0.00 0.50 0.00 0.00 46.19 45.05 5msf s LEU 90 CO 0.00 0.01 0.05 -0.89 -1.32 0.00 0.00 176.35 174.21 5msf s THR 91 N 1.20 4.34 -0.12 3.68 2.01 -1.26 -0.39 115.64 125.09 5msf s THR 91 Ca 0.03 -0.17 -0.00 0.00 0.31 0.00 0.00 61.69 61.85 5msf s THR 91 Cb -0.14 -2.99 0.03 0.00 0.01 0.00 0.00 72.50 69.41 5msf s THR 91 CO -0.11 0.40 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.51 5msf s ILE 92 N 1.10 1.07 0.67 1.82 1.01 -0.09 -4.97 121.20 121.82 5msf s ILE 92 Ca 0.04 -0.37 -0.17 0.00 0.00 0.00 0.00 60.65 60.14 5msf s ILE 92 Cb -0.14 -1.11 -0.00 0.00 0.01 0.00 0.00 42.46 41.21 5msf s ILE 92 CO 0.03 0.33 1.27 -2.65 0.00 0.00 0.00 174.94 173.92 5msf n PRO 93 N 4.92 1.00 0.00 2.79 -0.02 -1.26 -1.59 135.00 140.84 5msf n PRO 93 Ca -0.13 0.40 0.08 0.00 -2.02 0.00 0.00 63.50 61.83 5msf n PRO 93 Cb 0.50 -2.51 0.45 0.00 -0.02 0.00 0.00 33.50 31.92 5msf n PRO 93 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 5msf n ILE 94 N -2.07 0.00 1.08 4.25 -5.35 0.82 -2.08 119.36 116.00 5msf n ILE 94 Ca 0.16 0.00 0.12 0.00 -0.27 0.00 0.00 62.75 62.76 5msf n ILE 94 Cb 0.48 -0.76 0.25 0.00 -1.74 0.00 0.00 39.64 37.87 5msf n ILE 94 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 5msf n PHE 95 N -1.00 0.00 -2.08 4.28 3.72 -1.26 -4.89 117.46 116.23 5msf n PHE 95 Ca 0.11 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.09 5msf n PHE 95 Cb 0.05 -0.18 -0.03 0.00 -0.94 0.00 0.00 39.48 38.38 5msf n PHE 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 5msf s ALA 96 N -2.82 3.64 0.80 4.37 0.00 -0.88 -5.01 121.76 121.86 5msf s ALA 96 Ca 0.15 1.08 -0.07 0.00 0.00 0.00 0.00 51.96 53.12 5msf s ALA 96 Cb 0.18 -3.63 0.14 0.00 0.00 0.00 0.00 23.12 19.82 5msf s ALA 96 CO 0.65 -0.93 1.12 0.95 0.00 0.00 0.00 175.76 177.55 5msf s THR 97 N 2.18 2.11 0.29 0.00 -4.23 -1.26 -4.87 115.64 109.87 5msf s THR 97 Ca 0.68 -0.33 -0.02 0.00 -1.18 0.00 0.00 61.69 60.84 5msf s THR 97 Cb -0.36 -2.79 0.24 0.00 1.34 0.00 0.00 72.50 70.93 5msf s THR 97 CO 0.30 0.00 1.94 0.78 -0.54 0.00 0.00 174.62 177.09 5msf h ASN 98 N -0.94 0.93 -0.54 3.99 4.21 -1.99 -1.56 115.58 119.68 5msf h ASN 98 Ca -0.41 -0.05 -0.05 0.00 1.21 0.00 0.00 56.30 57.00 5msf h ASN 98 Cb 1.26 -0.23 -0.02 0.00 -1.12 0.00 0.00 38.32 38.21 5msf h ASN 98 CO 0.43 0.72 0.14 0.28 -1.29 0.00 0.00 177.43 177.71 5msf h SER 99 N 1.07 0.80 -0.93 5.81 0.02 -1.99 -0.61 113.55 117.73 5msf h SER 99 Ca 0.28 -0.22 0.05 0.00 -0.84 0.00 0.00 61.79 61.06 5msf h SER 99 Cb -0.05 -0.21 -0.06 0.00 0.14 0.00 0.00 62.40 62.22 5msf h SER 99 CO -0.05 0.82 0.60 0.44 -1.14 0.00 0.00 176.83 177.49 5msf h ASP 100 N 0.75 0.98 -0.05 3.07 3.32 -1.75 -2.09 116.42 120.65 5msf h ASP 100 Ca 0.17 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.09 5msf h ASP 100 Cb 0.32 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 5msf h ASP 100 CO -0.00 0.65 -0.42 0.00 -1.72 0.00 0.00 179.24 177.75 5msf h GLU 102 N 0.47 0.75 0.06 0.00 5.08 -0.54 -1.55 114.58 118.85 5msf h GLU 102 Ca 0.04 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 5msf h GLU 102 Cb 0.93 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.05 5msf h GLU 102 CO 0.08 0.63 -0.03 1.25 -1.00 0.00 0.00 179.01 179.94 5msf h LEU 103 N 0.74 -0.07 -0.73 1.33 5.85 -1.16 -1.10 115.31 120.17 5msf h LEU 103 Ca 0.18 -0.22 0.14 0.00 0.84 0.00 0.00 57.88 58.82 5msf h LEU 103 Cb 0.17 0.02 -0.09 0.00 0.37 0.00 0.00 40.66 41.12 5msf h LEU 103 CO -0.01 0.18 0.28 0.40 -0.34 0.00 0.00 178.44 178.94 5msf h ILE 104 N -0.32 0.65 -0.38 4.05 2.04 -0.99 0.21 117.51 122.78 5msf h ILE 104 Ca -0.01 -0.14 -0.03 0.00 1.00 0.00 0.00 64.86 65.68 5msf h ILE 104 Cb 0.28 0.20 -0.02 0.00 -0.74 0.00 0.00 36.82 36.54 5msf h ILE 104 CO 0.01 0.08 0.13 0.58 0.00 0.00 0.00 178.15 178.95 5msf h VAL 105 N 0.42 1.20 -0.96 1.67 2.07 -1.08 -1.87 116.25 117.71 5msf h VAL 105 Ca 0.40 -0.65 0.06 0.00 0.82 0.00 0.00 66.70 67.33 5msf h VAL 105 Cb 0.61 0.92 -0.06 0.00 -1.52 0.00 0.00 31.29 31.23 5msf h VAL 105 CO -0.41 0.23 0.62 0.11 0.02 0.00 0.00 177.57 178.15 5msf h LYS 106 N 0.46 1.11 -0.67 1.57 1.57 0.16 -0.15 116.57 120.63 5msf h LYS 106 Ca 0.12 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 5msf h LYS 106 Cb 0.22 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 5msf h LYS 106 CO -0.01 0.73 0.35 0.00 -0.57 0.00 0.00 179.45 179.96 5msf h ALA 107 N 1.47 0.85 -0.60 3.86 0.00 -0.58 0.21 119.26 124.47 5msf h ALA 107 Ca 0.40 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 5msf h ALA 107 Cb 0.13 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 5msf h ALA 107 CO -0.15 0.38 0.08 0.52 0.00 0.00 0.00 179.25 180.09 5msf h MET 108 N 0.91 1.01 -0.54 0.00 2.86 -0.46 -0.17 114.93 118.54 5msf h MET 108 Ca 0.23 -0.28 -0.08 0.00 -2.06 0.00 0.00 59.70 57.52 5msf h MET 108 Cb 0.06 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 5msf h MET 108 CO -0.04 0.95 0.02 1.96 1.06 0.00 0.00 176.91 180.87 5msf h GLN 109 N 0.91 0.93 -0.57 1.72 4.20 -0.64 -2.98 115.11 118.69 5msf h GLN 109 Ca 0.18 -0.29 -0.05 0.00 0.06 0.00 0.00 58.65 58.55 5msf h GLN 109 Cb 0.44 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.11 5msf h GLN 109 CO 0.01 0.94 0.14 0.78 -0.67 0.00 0.00 178.83 180.03 5msf h GLY 110 N 0.81 0.98 0.96 3.46 0.00 -0.35 -1.55 103.07 107.37 5msf h GLY 110 Ca 0.15 -0.61 0.13 0.00 0.00 0.00 0.00 47.33 47.00 5msf h GLY 110 CO 0.02 0.57 0.40 -2.00 0.00 0.00 0.00 176.54 175.53 5msf h LEU 111 N 0.81 0.22 -2.46 3.11 5.85 -0.88 -2.25 115.31 119.70 5msf h LEU 111 Ca 0.18 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.91 5msf h LEU 111 Cb 0.34 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.33 5msf h LEU 111 CO 0.00 0.12 0.00 0.18 -0.34 0.00 0.00 178.44 178.40 5msf n LEU 112 N -4.44 3.01 -4.75 2.25 4.77 -1.02 -4.30 117.00 112.51 5msf n LEU 112 Ca 0.10 -1.69 -0.40 0.00 -0.03 0.00 0.00 56.01 54.00 5msf n LEU 112 Cb 0.49 -0.23 0.03 0.00 -2.33 0.00 0.00 43.42 41.37 5msf n LEU 112 CO 0.35 0.70 1.04 1.17 -1.33 0.00 0.00 177.39 179.32 5msf n LYS 113 N 0.93 2.07 -1.67 3.23 4.81 -0.61 -4.80 118.16 122.13 5msf n LYS 113 Ca 0.14 0.74 -0.45 0.00 -0.87 0.00 0.00 58.31 57.87 5msf n LYS 113 Cb 0.47 -2.60 -0.03 0.00 0.02 0.00 0.00 35.03 32.88 5msf n LYS 113 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 5msf n ASP 114 N -0.40 2.74 0.00 3.14 9.92 -1.26 -2.06 116.55 128.63 5msf n ASP 114 Ca 0.07 1.13 0.00 0.00 -0.53 0.00 0.00 54.79 55.46 5msf n ASP 114 Cb 0.42 -1.41 0.00 0.00 -0.64 0.00 0.00 41.12 39.49 5msf n ASP 114 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 5msf n GLY 115 N 2.38 3.18 3.79 0.44 0.00 -1.26 -5.05 105.19 108.66 5msf n GLY 115 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 5msf n GLY 115 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 5msf s ASN 116 N -0.12 5.01 0.10 1.61 0.01 -0.87 -4.82 114.94 115.85 5msf s ASN 116 Ca 0.00 1.78 -0.23 0.00 -0.71 0.00 0.00 52.86 53.70 5msf s ASN 116 Cb 0.00 -2.52 -0.07 0.00 0.41 0.00 0.00 41.25 39.07 5msf s ASN 116 CO 0.00 -1.69 1.39 -0.65 -1.51 0.00 0.00 177.10 174.64 5msf h PRO 117 N -0.67 -0.23 -0.17 -0.60 0.11 -1.89 -2.08 132.00 126.47 5msf h PRO 117 Ca -0.44 0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.72 5msf h PRO 117 Cb 1.22 0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.35 5msf h PRO 117 CO 0.54 -0.15 -0.08 0.82 -0.21 0.00 0.00 178.00 178.92 5msf h ILE 118 N -0.24 0.75 -0.61 4.15 5.03 -1.94 -0.66 117.51 123.99 5msf h ILE 118 Ca 0.06 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.79 5msf h ILE 118 Cb 0.40 0.75 -0.03 0.00 -3.03 0.00 0.00 36.82 34.91 5msf h ILE 118 CO -0.46 0.00 0.33 -0.65 -0.68 0.00 0.00 178.15 176.69 5msf h PRO 119 N -0.06 0.86 -0.49 2.37 0.11 -1.73 -2.26 132.00 130.80 5msf h PRO 119 Ca 0.09 -0.11 0.04 0.00 0.11 0.00 0.00 66.00 66.13 5msf h PRO 119 Cb 0.19 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 31.10 5msf h PRO 119 CO -0.21 0.66 0.26 0.77 -0.21 0.00 0.00 178.00 179.28 5msf h SER 120 N 0.84 0.40 0.15 -2.05 0.02 -1.07 -0.84 113.55 110.99 5msf h SER 120 Ca 0.21 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 5msf h SER 120 Cb 0.06 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.54 5msf h SER 120 CO -0.03 0.28 -0.07 0.00 -1.14 0.00 0.00 176.83 175.86 5msf h ALA 121 N 1.25 -0.20 -0.12 3.77 0.00 -0.89 -2.69 119.26 120.38 5msf h ALA 121 Ca 0.21 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.09 5msf h ALA 121 Cb 0.09 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 5msf h ALA 121 CO -0.13 -0.61 -0.00 0.82 0.00 0.00 0.00 179.25 179.33 5msf h ILE 122 N -0.22 0.91 0.00 0.00 2.04 -1.19 0.15 117.51 119.20 5msf h ILE 122 Ca -0.02 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.83 5msf h ILE 122 Cb 0.17 0.87 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 5msf h ILE 122 CO 0.03 0.01 0.00 0.00 0.00 0.00 0.00 178.15 178.19 5msf n ALA 123 N -2.24 1.15 -1.26 1.87 0.00 -0.34 -1.92 120.51 117.77 5msf n ALA 123 Ca -0.04 0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.53 5msf n ALA 123 Cb 0.08 -1.13 0.16 0.00 0.00 0.00 0.00 19.45 18.55 5msf n ALA 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 5msf n ALA 124 N -1.58 2.71 -2.95 0.00 0.00 -0.68 -4.96 120.51 113.05 5msf n ALA 124 Ca 0.00 -2.83 -0.19 0.00 0.00 0.00 0.00 53.44 50.43 5msf n ALA 124 Cb 0.05 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.12 5msf n ALA 124 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 5msf n ASN 125 N -1.31 -4.18 -4.57 0.00 3.02 -0.81 -4.93 115.26 102.48 5msf n ASN 125 Ca 0.17 -0.14 -0.28 0.00 -0.03 0.00 0.00 54.58 54.29 5msf n ASN 125 Cb 0.66 -3.48 -0.09 0.00 -0.61 0.00 0.00 39.78 36.26 5msf n ASN 125 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 5msf s SER 126 N -2.44 3.56 0.00 6.41 0.01 0.42 -5.03 113.70 116.63 5msf s SER 126 Ca 0.23 -1.50 0.00 0.00 1.31 0.00 0.00 55.95 55.98 5msf s SER 126 Cb -0.12 0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.18 5msf s SER 126 CO 0.28 -0.67 0.00 0.61 0.41 0.00 0.00 173.24 173.87 5msf n GLY 127 N -1.01 4.50 3.87 3.44 0.00 -1.26 -4.12 105.19 110.62 5msf n GLY 127 Ca -0.09 -1.90 -0.36 0.00 0.00 0.00 0.00 46.02 43.66 5msf n GLY 127 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 5msf s ILE 128 N 2.04 5.35 0.00 -0.61 -1.09 -1.26 -4.77 121.20 120.87 5msf s ILE 128 Ca 0.00 0.29 0.00 0.00 -2.23 0.00 0.00 60.65 58.71 5msf s ILE 128 Cb 0.00 -3.52 0.00 0.00 -1.58 0.00 0.00 42.46 37.36 5msf s ILE 128 CO 0.00 0.52 0.00 0.00 -1.23 0.00 0.00 174.94 174.23