#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 5msf n SER 2 N 0.00 0.00 -0.44 0.00 2.88 -1.26 -5.05 113.62 109.75 5msf n SER 2 Ca 0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 5msf n SER 2 Cb 0.00 0.00 0.53 0.00 -0.75 0.00 0.00 64.21 63.99 5msf n SER 2 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 5msf n ASN 3 N 0.00 1.36 -4.08 -3.46 0.23 -1.26 -4.55 115.26 103.50 5msf n ASN 3 Ca 0.00 -1.50 -0.43 0.00 -0.53 0.00 0.00 54.58 52.12 5msf n ASN 3 Cb 0.00 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 37.68 5msf n ASN 3 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 5msf n PHE 4 N 0.08 3.85 -4.54 -2.53 -0.00 -1.26 -4.91 117.46 108.15 5msf n PHE 4 Ca 0.19 -2.96 -0.25 0.00 -0.00 0.00 0.00 57.45 54.42 5msf n PHE 4 Cb 0.32 -2.32 -0.11 0.00 -0.00 0.00 0.00 39.48 37.37 5msf n PHE 4 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 5msf s THR 5 N 2.26 1.90 0.59 -2.13 -4.23 -1.26 -4.83 115.64 107.93 5msf s THR 5 Ca 0.45 -2.09 -0.14 0.00 -1.18 0.00 0.00 61.69 58.74 5msf s THR 5 Cb 0.08 -2.76 -0.05 0.00 1.34 0.00 0.00 72.50 71.11 5msf s THR 5 CO -0.01 -0.12 1.02 0.00 -0.54 0.00 0.00 174.62 174.97 5msf s GLN 6 N -3.71 3.62 0.20 3.99 -2.07 -1.26 -4.58 119.66 115.85 5msf s GLN 6 Ca 0.33 0.90 -0.18 0.00 -1.82 0.00 0.00 55.36 54.59 5msf s GLN 6 Cb 0.06 -2.09 0.03 0.00 -1.09 0.00 0.00 33.01 29.93 5msf s GLN 6 CO 0.16 -0.55 0.55 -0.59 -1.32 0.00 0.00 175.29 173.54 5msf s PHE 7 N -2.88 -0.18 -0.40 9.60 -0.71 -0.63 -5.01 117.98 117.77 5msf s PHE 7 Ca 0.58 -0.15 -0.24 0.00 -1.04 0.00 0.00 56.93 56.08 5msf s PHE 7 Cb -0.11 0.44 0.02 0.00 -1.21 0.00 0.00 43.02 42.15 5msf s PHE 7 CO 0.44 -0.93 0.83 0.08 -1.34 0.00 0.00 175.22 174.30 5msf s VAL 8 N -3.86 4.65 -0.02 -2.49 1.01 -1.26 -1.65 120.40 116.77 5msf s VAL 8 Ca 0.08 0.82 -0.19 0.00 0.00 0.00 0.00 61.98 62.68 5msf s VAL 8 Cb -0.01 -4.29 -0.33 0.00 0.00 0.00 0.00 36.38 31.75 5msf s VAL 8 CO -0.04 -0.58 0.92 0.25 0.00 0.00 0.00 175.10 175.65 5msf h LEU 9 N 10.01 0.60 -7.72 3.92 5.85 -1.37 -3.43 115.31 123.18 5msf h LEU 9 Ca -0.24 -0.94 -0.65 0.00 0.84 0.00 0.00 57.88 56.89 5msf h LEU 9 Cb 1.09 -0.20 -0.38 0.00 0.37 0.00 0.00 40.66 41.54 5msf h LEU 9 CO 0.95 1.52 -0.77 -0.69 -0.34 0.00 0.00 178.44 179.12 5msf s VAL 10 N -2.49 2.02 -0.43 1.05 1.01 -0.97 -5.00 120.40 115.58 5msf s VAL 10 Ca -0.12 -1.81 -0.26 0.00 0.00 0.00 0.00 61.98 59.79 5msf s VAL 10 Cb 0.02 -2.30 0.02 0.00 0.00 0.00 0.00 36.38 34.12 5msf s VAL 10 CO 0.87 -0.29 0.96 -0.62 0.00 0.00 0.00 175.10 176.03 5msf s ASP 11 N 1.11 6.58 -0.30 3.32 -1.08 -1.26 -1.59 116.67 123.45 5msf s ASP 11 Ca -0.00 0.33 0.08 0.00 -0.52 0.00 0.00 52.55 52.44 5msf s ASP 11 Cb -0.19 -2.47 0.47 0.00 -1.46 0.00 0.00 42.92 39.26 5msf s ASP 11 CO -0.08 -1.02 1.37 0.59 0.52 0.00 0.00 175.17 176.55 5msf n ASN 12 N 7.16 3.35 -1.74 -0.34 3.02 -1.26 -4.94 115.26 120.51 5msf n ASN 12 Ca 0.07 -3.82 -0.10 0.00 -0.03 0.00 0.00 54.58 50.71 5msf n ASN 12 Cb 0.48 -0.55 0.03 0.00 -0.61 0.00 0.00 39.78 39.13 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 -0.99 0.27 4.10 7.41 0.00 -1.26 -3.30 105.19 111.42 5msf n GLY 13 Ca 0.35 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.14 2.63 3.13 -0.02 0.00 -1.26 -4.93 105.19 103.60 5msf n GLY 14 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 5msf n GLY 14 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 5msf s THR 15 N -0.75 3.17 0.00 2.61 2.01 -1.21 -4.45 115.64 117.02 5msf s THR 15 Ca 0.00 -1.93 0.00 0.00 0.31 0.00 0.00 61.69 60.07 5msf s THR 15 Cb 0.00 -3.11 0.00 0.00 0.01 0.00 0.00 72.50 69.40 5msf s THR 15 CO 0.00 -0.56 0.00 0.61 -0.69 0.00 0.00 174.62 173.98 5msf n GLY 16 N 4.58 1.17 3.74 4.40 0.00 -1.26 -4.75 105.19 113.06 5msf n GLY 16 Ca -0.04 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.14 6.95 -0.31 1.61 1.11 -1.26 -4.60 116.67 118.03 5msf s ASP 17 Ca 0.00 2.37 -0.13 0.00 0.18 0.00 0.00 52.55 54.97 5msf s ASP 17 Cb 0.00 -2.61 -0.03 0.00 1.07 0.00 0.00 42.92 41.35 5msf s ASP 17 CO 0.00 -0.48 0.26 -0.69 1.18 0.00 0.00 175.17 175.44 5msf s VAL 18 N -0.03 5.26 -0.08 -1.27 1.01 -0.62 -4.99 120.40 119.69 5msf s VAL 18 Ca 0.55 0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.60 5msf s VAL 18 Cb -0.35 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.34 5msf s VAL 18 CO 0.39 0.09 -0.13 -0.89 0.00 0.00 0.00 175.10 174.55 5msf s THR 19 N 1.82 3.09 0.05 3.92 2.01 -1.26 -0.88 115.64 124.39 5msf s THR 19 Ca 0.08 -0.69 0.07 0.00 0.31 0.00 0.00 61.69 61.47 5msf s THR 19 Cb -0.17 -2.25 -0.03 0.00 0.01 0.00 0.00 72.50 70.07 5msf s THR 19 CO 0.11 0.56 -0.18 0.68 -0.69 0.00 0.00 174.62 175.11 5msf s VAL 20 N -0.30 2.83 0.12 3.82 -7.23 -0.66 -3.97 120.40 115.00 5msf s VAL 20 Ca 0.03 -1.20 0.05 0.00 -1.81 0.00 0.00 61.98 59.05 5msf s VAL 20 Cb -0.13 -2.20 -0.04 0.00 0.56 0.00 0.00 36.38 34.57 5msf s VAL 20 CO 0.03 0.32 -0.13 0.00 -0.31 0.00 0.00 175.10 175.00 5msf s ALA 21 N -0.95 1.44 0.16 1.32 0.00 -0.52 -1.60 121.76 121.62 5msf s ALA 21 Ca 0.15 -1.29 -0.34 0.00 0.00 0.00 0.00 51.96 50.48 5msf s ALA 21 Cb -0.11 -0.05 -0.15 0.00 0.00 0.00 0.00 23.12 22.81 5msf s ALA 21 CO 0.06 0.07 1.40 -2.30 0.00 0.00 0.00 175.76 174.99 5msf n PRO 22 N 0.48 1.67 0.00 0.00 -0.02 -1.26 -1.62 135.00 134.26 5msf n PRO 22 Ca -0.15 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 5msf n PRO 22 Cb 0.57 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 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 2.64 1.32 -3.59 2.55 3.41 0.62 -4.85 113.62 115.72 5msf n SER 23 Ca 0.16 -0.06 -0.08 0.00 -0.26 0.00 0.00 58.87 58.62 5msf n SER 23 Cb 0.26 0.39 -0.05 0.00 -0.26 0.00 0.00 64.21 64.55 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 -0.65 -0.29 -0.00 4.04 3.84 -1.16 -4.99 114.94 115.73 5msf s ASN 24 Ca 0.00 0.30 0.00 0.00 0.21 0.00 0.00 52.86 53.38 5msf s ASN 24 Cb 0.00 0.24 0.00 0.00 -0.55 0.00 0.00 41.25 40.94 5msf s ASN 24 CO 0.00 -0.28 0.68 0.33 -2.79 0.00 0.00 177.10 175.04 5msf n PHE 25 N 0.64 0.00 -1.74 0.43 -0.00 -1.25 -0.12 117.46 115.42 5msf n PHE 25 Ca -0.08 -0.03 -0.42 0.00 -0.00 0.00 0.00 57.45 56.93 5msf n PHE 25 Cb 0.58 -0.02 -0.02 0.00 -0.00 0.00 0.00 39.48 40.02 5msf n PHE 25 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 5msf n ALA 26 N -0.03 2.66 -2.17 3.13 0.00 -1.26 -2.51 120.51 120.33 5msf n ALA 26 Ca 0.00 0.38 -0.15 0.00 0.00 0.00 0.00 53.44 53.66 5msf n ALA 26 Cb 0.56 -2.48 -0.02 0.00 0.00 0.00 0.00 19.45 17.51 5msf n ALA 26 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 5msf n ASN 27 N 2.54 -4.69 -0.06 0.00 3.02 -1.26 -2.95 115.26 111.86 5msf n ASN 27 Ca 0.10 0.05 -0.01 0.00 -0.03 0.00 0.00 54.58 54.69 5msf n ASN 27 Cb 0.36 -3.78 -0.00 0.00 -0.61 0.00 0.00 39.78 35.75 5msf n ASN 27 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 5msf n GLY 28 N -1.02 0.36 3.27 7.41 0.00 -1.04 -4.98 105.19 109.18 5msf n GLY 28 Ca -0.18 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.67 3.70 0.08 1.61 1.01 -1.15 -4.63 120.40 119.36 5msf s VAL 29 Ca 0.00 -1.12 -0.30 0.00 0.00 0.00 0.00 61.98 60.55 5msf s VAL 29 Cb 0.00 -3.08 -0.06 0.00 0.00 0.00 0.00 36.38 33.24 5msf s VAL 29 CO 0.00 -0.15 1.13 0.00 0.00 0.00 0.00 175.10 176.08 5msf s ALA 30 N 1.39 3.34 0.03 5.51 0.00 -0.07 -3.93 121.76 128.04 5msf s ALA 30 Ca -0.02 0.78 0.06 0.00 0.00 0.00 0.00 51.96 52.78 5msf s ALA 30 Cb -0.19 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.51 5msf s ALA 30 CO 0.02 -0.32 -0.17 -2.00 0.00 0.00 0.00 175.76 173.29 5msf s GLU 31 N 0.62 1.17 0.05 0.00 2.12 0.83 -0.92 118.70 122.56 5msf s GLU 31 Ca 0.55 -0.76 0.05 0.00 0.36 0.00 0.00 54.97 55.16 5msf s GLU 31 Cb -0.28 -1.20 -0.02 0.00 0.26 0.00 0.00 34.13 32.89 5msf s GLU 31 CO 0.31 0.31 -0.14 -1.58 -0.54 0.00 0.00 175.26 173.61 5msf s TRP 32 N -0.70 1.22 0.03 5.30 0.51 0.51 -0.27 118.94 125.53 5msf s TRP 32 Ca 0.05 -0.37 -0.07 0.00 -2.12 0.00 0.00 56.10 53.58 5msf s TRP 32 Cb -0.08 -0.71 -0.00 0.00 -0.81 0.00 0.00 33.47 31.86 5msf s TRP 32 CO 0.01 0.04 0.13 0.96 -0.51 0.00 0.00 176.95 177.58 5msf s ILE 33 N -0.94 0.12 0.63 2.03 -4.36 -0.64 -1.53 121.20 116.52 5msf s ILE 33 Ca 0.01 -0.96 -0.12 0.00 -0.26 0.00 0.00 60.65 59.32 5msf s ILE 33 Cb -0.08 -0.80 -0.03 0.00 1.25 0.00 0.00 42.46 42.80 5msf s ILE 33 CO 0.01 -0.53 1.04 -0.94 0.24 0.00 0.00 174.94 174.76 5msf s SER 34 N -1.96 5.97 -0.73 4.36 1.04 -1.02 -1.43 113.70 119.93 5msf s SER 34 Ca -0.07 1.53 -0.13 0.00 0.48 0.00 0.00 55.95 57.76 5msf s SER 34 Cb -0.03 -2.49 -0.11 0.00 0.10 0.00 0.00 66.02 63.50 5msf s SER 34 CO -0.03 -1.04 1.91 -0.24 0.98 0.00 0.00 173.24 174.81 5msf n SER 35 N -2.68 3.31 -3.71 7.02 2.88 -1.25 -4.72 113.62 114.46 5msf n SER 35 Ca 0.07 -2.45 -0.24 0.00 -1.33 0.00 0.00 58.87 54.92 5msf n SER 35 Cb 0.54 -1.02 -0.08 0.00 -0.75 0.00 0.00 64.21 62.91 5msf n SER 35 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 5msf n ASN 36 N 5.84 0.60 -4.78 -3.46 4.13 -1.26 -5.10 115.26 111.23 5msf n ASN 36 Ca 0.43 -3.22 -0.35 0.00 1.68 0.00 0.00 54.58 53.11 5msf n ASN 36 Cb 0.24 1.26 -0.01 0.00 -1.54 0.00 0.00 39.78 39.74 5msf n ASN 36 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 5msf s SER 37 N -3.50 5.97 0.60 6.41 1.04 -1.26 -4.80 113.70 118.17 5msf s SER 37 Ca 0.27 2.15 0.30 0.00 0.48 0.00 0.00 55.95 59.15 5msf s SER 37 Cb 0.01 -2.58 1.67 0.00 0.10 0.00 0.00 66.02 65.22 5msf s SER 37 CO 0.19 -1.04 2.05 -0.09 0.98 0.00 0.00 173.24 175.33 5msf h ARG 38 N 1.49 0.00 0.00 4.02 9.65 -1.97 -0.39 114.38 127.18 5msf h ARG 38 Ca -0.50 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.38 5msf h ARG 38 Cb 1.25 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.83 5msf h ARG 38 CO 0.58 0.00 -0.15 0.66 2.80 0.00 0.00 179.97 183.86 5msf h SER 39 N 0.00 0.00 -0.00 -3.80 4.64 -1.89 -3.30 113.55 109.19 5msf h SER 39 Ca 0.10 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 5msf h SER 39 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 5msf h SER 39 CO -0.00 0.01 0.00 0.00 -0.87 0.00 0.00 176.83 175.97 5msf n GLN 40 N -2.53 2.74 -2.91 4.77 6.02 -0.24 -3.82 117.38 121.42 5msf n GLN 40 Ca 0.04 -1.67 -0.32 0.00 -0.01 0.00 0.00 57.00 55.05 5msf n GLN 40 Cb 0.47 -1.08 -0.05 0.00 1.02 0.00 0.00 30.24 30.60 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 -1.28 3.24 0.33 -1.58 0.00 -0.73 -4.82 121.76 116.91 5msf s ALA 41 Ca 0.05 0.07 -0.24 0.00 0.00 0.00 0.00 51.96 51.85 5msf s ALA 41 Cb 0.04 -2.88 -0.10 0.00 0.00 0.00 0.00 23.12 20.19 5msf s ALA 41 CO 0.01 0.14 0.90 0.71 0.00 0.00 0.00 175.76 177.51 5msf s TYR 42 N -2.20 3.61 -0.02 0.00 1.51 -1.26 -4.62 117.35 114.36 5msf s TYR 42 Ca 0.56 1.67 0.02 0.00 -1.01 0.00 0.00 57.07 58.31 5msf s TYR 42 Cb -0.10 -2.85 0.01 0.00 -0.11 0.00 0.00 41.96 38.91 5msf s TYR 42 CO 0.22 0.17 -0.06 0.21 -1.11 0.00 0.00 175.55 174.98 5msf s LYS 43 N -2.27 0.64 -0.06 -0.62 2.20 -0.93 -2.44 119.74 116.27 5msf s LYS 43 Ca 0.51 -0.18 0.01 0.00 -0.36 0.00 0.00 55.97 55.95 5msf s LYS 43 Cb -0.16 -0.64 0.02 0.00 -1.51 0.00 0.00 37.83 35.54 5msf s LYS 43 CO 0.21 0.05 -0.05 0.08 -0.36 0.00 0.00 175.35 175.28 5msf s VAL 44 N 0.27 0.63 0.11 4.02 1.01 -0.58 -0.35 120.40 125.51 5msf s VAL 44 Ca -0.03 -0.15 0.06 0.00 0.00 0.00 0.00 61.98 61.86 5msf s VAL 44 Cb -0.07 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 5msf s VAL 44 CO -0.00 0.26 -0.15 0.42 0.00 0.00 0.00 175.10 175.63 5msf s THR 45 N 1.07 1.36 -0.16 3.92 -4.23 -0.02 -0.36 115.64 117.21 5msf s THR 45 Ca -0.08 -1.63 -0.16 0.00 -1.18 0.00 0.00 61.69 58.63 5msf s THR 45 Cb -0.14 -1.46 0.04 0.00 1.34 0.00 0.00 72.50 72.28 5msf s THR 45 CO -0.01 -0.34 0.45 0.00 -0.54 0.00 0.00 174.62 174.19 5msf s SER 47 N 0.09 -0.34 -0.02 0.00 1.04 -0.67 -0.89 113.70 112.91 5msf s SER 47 Ca -0.01 0.29 0.02 0.00 0.48 0.00 0.00 55.95 56.73 5msf s SER 47 Cb -0.03 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.48 5msf s SER 47 CO 0.01 -0.50 -0.06 0.54 0.98 0.00 0.00 173.24 174.21 5msf s VAL 48 N -1.27 0.55 0.04 5.02 0.11 -1.26 0.05 120.40 123.64 5msf s VAL 48 Ca -0.13 -0.24 -0.01 0.00 -2.93 0.00 0.00 61.98 58.67 5msf s VAL 48 Cb -0.04 -0.49 -0.03 0.00 -1.53 0.00 0.00 36.38 34.29 5msf s VAL 48 CO 0.06 0.18 -0.02 0.00 -3.33 0.00 0.00 175.10 171.99 5msf s ARG 49 N 0.17 0.56 -1.07 1.54 1.70 -0.54 -4.97 118.95 116.33 5msf s ARG 49 Ca -0.02 -1.08 -0.17 0.00 -0.47 0.00 0.00 55.73 53.99 5msf s ARG 49 Cb -0.06 0.19 0.14 0.00 -0.57 0.00 0.00 34.95 34.65 5msf s ARG 49 CO -0.00 -0.10 1.31 -1.14 -1.08 0.00 0.00 175.30 174.29 5msf s GLN 50 N -3.40 3.82 0.11 3.89 2.00 -1.26 -0.22 119.66 124.61 5msf s GLN 50 Ca 0.02 -2.07 -0.34 0.00 -2.00 0.00 0.00 55.36 50.97 5msf s GLN 50 Cb 0.04 -5.05 -0.13 0.00 0.80 0.00 0.00 33.01 28.67 5msf s GLN 50 CO -0.08 -1.83 1.56 0.66 -0.50 0.00 0.00 175.29 175.10 5msf h SER 51 N 8.13 -1.61 -3.34 6.67 4.64 -1.86 -3.45 113.55 122.73 5msf h SER 51 Ca 0.24 0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.74 5msf h SER 51 Cb 0.95 0.61 0.00 0.00 -0.31 0.00 0.00 62.40 63.65 5msf h SER 51 CO 1.21 -0.53 0.00 -0.24 -0.87 0.00 0.00 176.83 176.40 5msf n SER 52 N -5.47 1.18 0.17 4.97 2.88 -1.23 -4.98 113.62 111.15 5msf n SER 52 Ca -0.07 -0.97 0.05 0.00 -1.33 0.00 0.00 58.87 56.55 5msf n SER 52 Cb 0.40 0.00 0.24 0.00 -0.75 0.00 0.00 64.21 64.10 5msf n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 5msf h ALA 53 N 0.77 0.88 0.00 -1.46 0.00 -2.04 -3.32 119.26 114.10 5msf h ALA 53 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 5msf h ALA 53 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.72 5msf h ALA 53 CO 0.00 0.51 -0.01 1.04 0.00 0.00 0.00 179.25 180.79 5msf n GLN 54 N -3.41 2.41 -4.28 0.00 6.02 -1.26 -4.99 117.38 111.87 5msf n GLN 54 Ca 0.01 -1.68 -0.17 0.00 -0.01 0.00 0.00 57.00 55.14 5msf n GLN 54 Cb 0.58 -1.08 -0.10 0.00 1.02 0.00 0.00 30.24 30.66 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 -1.37 2.12 0.00 1.08 0.02 -1.25 -1.33 114.94 114.21 5msf s ASN 55 Ca 0.07 -0.94 0.04 0.00 -1.02 0.00 0.00 52.86 51.01 5msf s ASN 55 Cb 0.06 -0.07 -0.01 0.00 0.02 0.00 0.00 41.25 41.25 5msf s ASN 55 CO 0.01 -0.21 -0.12 -0.13 0.02 0.00 0.00 177.10 176.67 5msf s ARG 56 N -3.30 0.93 -0.11 -0.60 0.52 -0.38 -2.97 118.95 113.05 5msf s ARG 56 Ca 0.15 -0.48 0.01 0.00 -0.52 0.00 0.00 55.73 54.89 5msf s ARG 56 Cb -0.01 -0.91 0.02 0.00 0.52 0.00 0.00 34.95 34.57 5msf s ARG 56 CO 0.03 0.24 -0.14 0.21 0.02 0.00 0.00 175.30 175.67 5msf s LYS 57 N -0.46 2.09 -0.14 3.54 2.20 0.70 -0.93 119.74 126.74 5msf s LYS 57 Ca 0.04 -0.51 -0.12 0.00 -0.36 0.00 0.00 55.97 55.02 5msf s LYS 57 Cb -0.05 -1.82 -0.05 0.00 -1.51 0.00 0.00 37.83 34.40 5msf s LYS 57 CO -0.00 -0.09 0.24 0.71 -0.36 0.00 0.00 175.35 175.85 5msf s TYR 58 N 1.07 3.51 -0.24 4.03 1.51 0.38 -1.46 117.35 126.15 5msf s TYR 58 Ca -0.05 0.57 0.02 0.00 -1.01 0.00 0.00 57.07 56.60 5msf s TYR 58 Cb -0.15 -2.22 0.05 0.00 -0.11 0.00 0.00 41.96 39.54 5msf s TYR 58 CO -0.02 0.39 -0.11 0.99 -1.11 0.00 0.00 175.55 175.69 5msf s THR 59 N -0.02 2.00 -0.01 -0.71 2.01 0.11 -0.89 115.64 118.12 5msf s THR 59 Ca 0.15 -1.42 0.05 0.00 0.31 0.00 0.00 61.69 60.78 5msf s THR 59 Cb -0.13 -2.09 -0.03 0.00 0.01 0.00 0.00 72.50 70.26 5msf s THR 59 CO 0.04 0.05 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.25 5msf s ILE 60 N 1.20 3.07 -0.01 1.82 1.01 -0.18 -1.67 121.20 126.45 5msf s ILE 60 Ca -0.06 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.70 5msf s ILE 60 Cb -0.19 -2.26 0.01 0.00 0.01 0.00 0.00 42.46 40.03 5msf s ILE 60 CO -0.06 0.47 0.00 -0.54 0.00 0.00 0.00 174.94 174.80 5msf s LYS 61 N -1.10 0.05 -0.01 2.79 1.02 -0.27 -1.10 119.74 121.11 5msf s LYS 61 Ca 0.14 0.02 0.03 0.00 0.02 0.00 0.00 55.97 56.18 5msf s LYS 61 Cb -0.11 -0.11 -0.00 0.00 -0.52 0.00 0.00 37.83 37.09 5msf s LYS 61 CO 0.03 -0.03 -0.09 0.08 -0.92 0.00 0.00 175.35 174.42 5msf s VAL 62 N 0.25 0.76 -0.16 3.17 1.01 -0.39 -0.84 120.40 124.19 5msf s VAL 62 Ca -0.02 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 61.58 5msf s VAL 62 Cb -0.03 -0.65 0.03 0.00 0.00 0.00 0.00 36.38 35.72 5msf s VAL 62 CO -0.01 0.22 -0.14 -1.61 0.00 0.00 0.00 175.10 173.56 5msf s GLU 63 N -0.06 2.36 -0.28 2.72 2.02 0.53 -0.59 118.70 125.40 5msf s GLU 63 Ca 0.01 -0.65 -0.06 0.00 0.02 0.00 0.00 54.97 54.29 5msf s GLU 63 Cb -0.06 -2.23 0.01 0.00 0.10 0.00 0.00 34.13 31.95 5msf s GLU 63 CO -0.00 -0.27 0.06 0.08 0.02 0.00 0.00 175.26 175.15 5msf s VAL 64 N 1.44 3.84 0.25 2.63 1.01 -0.25 -2.20 120.40 127.12 5msf s VAL 64 Ca 0.04 -0.68 -0.07 0.00 0.00 0.00 0.00 61.98 61.27 5msf s VAL 64 Cb -0.13 -2.95 -0.06 0.00 0.00 0.00 0.00 36.38 33.23 5msf s VAL 64 CO -0.11 0.13 0.53 -2.16 0.00 0.00 0.00 175.10 173.49 5msf s PRO 65 N 1.49 3.69 -0.58 2.72 0.04 -1.26 -0.17 135.00 140.93 5msf s PRO 65 Ca 0.03 0.09 -0.08 0.00 0.04 0.00 0.00 61.00 61.08 5msf s PRO 65 Cb -0.17 -2.67 0.15 0.00 0.04 0.00 0.00 34.50 31.85 5msf s PRO 65 CO 0.01 0.28 0.44 0.21 0.04 0.00 0.00 177.00 177.99 5msf s LYS 66 N -3.17 2.69 0.42 4.56 2.47 -0.28 -4.98 119.74 121.45 5msf s LYS 66 Ca 0.45 -2.10 -0.26 0.00 -1.56 0.00 0.00 55.97 52.50 5msf s LYS 66 Cb -0.11 -3.96 -0.08 0.00 -1.46 0.00 0.00 37.83 32.22 5msf s LYS 66 CO 0.26 -1.20 1.34 0.14 0.16 0.00 0.00 175.35 176.05 5msf s VAL 67 N 0.76 2.43 0.21 4.02 -7.23 -1.26 0.51 120.40 119.83 5msf s VAL 67 Ca 0.11 0.39 -0.18 0.00 -1.81 0.00 0.00 61.98 60.49 5msf s VAL 67 Cb -0.22 -3.23 0.03 0.00 0.56 0.00 0.00 36.38 33.52 5msf s VAL 67 CO -0.03 0.05 0.55 0.00 -0.31 0.00 0.00 175.10 175.36 5msf s ALA 68 N -1.24 -0.93 -0.31 1.32 0.00 -0.52 -4.69 121.76 115.39 5msf s ALA 68 Ca 0.58 -0.27 0.02 0.00 0.00 0.00 0.00 51.96 52.29 5msf s ALA 68 Cb -0.40 0.88 0.08 0.00 0.00 0.00 0.00 23.12 23.67 5msf s ALA 68 CO 0.51 -0.84 -0.01 0.99 0.00 0.00 0.00 175.76 176.42 5msf s THR 69 N -3.89 2.49 0.01 0.00 2.01 -1.26 -1.27 115.64 113.73 5msf s THR 69 Ca 0.10 -1.85 -0.12 0.00 0.31 0.00 0.00 61.69 60.14 5msf s THR 69 Cb -0.02 -2.59 -0.05 0.00 0.01 0.00 0.00 72.50 69.85 5msf s THR 69 CO -0.01 -0.29 0.36 -1.58 -0.69 0.00 0.00 174.62 172.42 5msf s GLN 70 N 1.08 3.78 -0.51 4.92 0.74 -0.68 -4.87 119.66 124.12 5msf s GLN 70 Ca -0.00 0.23 -0.14 0.00 0.05 0.00 0.00 55.36 55.50 5msf s GLN 70 Cb -0.20 -3.13 0.12 0.00 1.10 0.00 0.00 33.01 30.89 5msf s GLN 70 CO -0.05 0.66 0.43 0.99 -0.55 0.00 0.00 175.29 176.77 5msf s THR 71 N -1.19 4.89 -0.24 -0.34 2.01 -1.26 -0.40 115.64 119.10 5msf s THR 71 Ca 0.26 -1.51 -0.05 0.00 0.31 0.00 0.00 61.69 60.69 5msf s THR 71 Cb -0.15 -4.12 -0.01 0.00 0.01 0.00 0.00 72.50 68.23 5msf s THR 71 CO 0.14 -0.79 0.01 -0.69 -0.69 0.00 0.00 174.62 172.61 5msf s VAL 72 N 1.53 3.77 -1.18 3.82 1.01 0.51 -4.50 120.40 125.37 5msf s VAL 72 Ca 0.04 -0.43 -0.00 0.00 0.00 0.00 0.00 61.98 61.59 5msf s VAL 72 Cb -0.28 -2.78 0.00 0.00 0.00 0.00 0.00 36.38 33.32 5msf s VAL 72 CO 0.02 0.34 0.04 0.61 0.00 0.00 0.00 175.10 176.11 5msf n GLY 73 N 4.85 -0.20 2.52 4.51 0.00 -1.26 -2.14 105.19 113.48 5msf n GLY 73 Ca -0.17 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.04 0.67 3.39 -0.02 0.00 -1.26 -5.02 105.19 101.91 5msf n GLY 74 Ca -0.16 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.74 2.73 -0.17 1.61 1.01 -0.91 -5.08 120.40 116.84 5msf s VAL 75 Ca 0.00 -0.83 -0.23 0.00 0.00 0.00 0.00 61.98 60.92 5msf s VAL 75 Cb 0.00 -2.06 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 5msf s VAL 75 CO 0.00 0.57 0.72 -1.61 0.00 0.00 0.00 175.10 174.78 5msf s GLU 76 N -0.37 4.27 0.04 2.72 2.02 -1.26 -0.36 118.70 125.77 5msf s GLU 76 Ca 0.03 0.81 0.07 0.00 0.02 0.00 0.00 54.97 55.90 5msf s GLU 76 Cb -0.12 -3.56 -0.02 0.00 0.10 0.00 0.00 34.13 30.52 5msf s GLU 76 CO 0.02 -0.24 -0.20 -0.51 0.02 0.00 0.00 175.26 174.35 5msf s LEU 77 N 1.87 2.16 -0.26 1.80 1.43 0.46 -4.98 118.68 121.16 5msf s LEU 77 Ca 0.34 -0.51 -0.29 0.00 -1.03 0.00 0.00 54.13 52.63 5msf s LEU 77 Cb -0.16 -0.95 0.01 0.00 0.03 0.00 0.00 46.19 45.12 5msf s LEU 77 CO 0.12 0.15 1.07 -2.16 0.23 0.00 0.00 176.35 175.76 5msf s PRO 78 N -1.16 4.19 0.19 1.29 0.04 -1.26 -1.69 135.00 136.60 5msf s PRO 78 Ca 0.07 1.27 0.03 0.00 0.04 0.00 0.00 61.00 62.41 5msf s PRO 78 Cb -0.09 -3.68 -0.01 0.00 0.04 0.00 0.00 34.50 30.76 5msf s PRO 78 CO 0.02 -0.73 0.10 1.33 0.04 0.00 0.00 177.00 177.76 5msf n VAL 79 N 5.52 0.00 -4.12 -0.36 0.24 -0.39 -4.67 118.33 114.54 5msf n VAL 79 Ca 0.12 -1.23 -0.32 0.00 -2.04 0.00 0.00 64.34 60.87 5msf n VAL 79 Cb 0.46 0.51 -0.16 0.00 -1.47 0.00 0.00 33.84 33.18 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 -2.61 2.25 0.26 2.33 0.00 -1.25 -1.44 121.76 121.30 5msf s ALA 80 Ca 0.14 -1.16 -0.01 0.00 0.00 0.00 0.00 51.96 50.93 5msf s ALA 80 Cb 0.01 -1.15 0.47 0.00 0.00 0.00 0.00 23.12 22.45 5msf s ALA 80 CO 0.10 -0.35 1.83 0.00 0.00 0.00 0.00 175.76 177.34 5msf h ALA 81 N 7.94 1.35 -2.39 0.00 0.00 -0.22 -3.46 119.26 122.49 5msf h ALA 81 Ca -0.44 0.02 0.17 0.00 0.00 0.00 0.00 54.91 54.66 5msf h ALA 81 Cb 1.14 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.68 5msf h ALA 81 CO 0.62 0.18 0.50 1.67 0.00 0.00 0.00 179.25 182.23 5msf s TRP 82 N -6.00 -0.07 0.04 0.00 1.48 -1.25 -5.02 118.94 108.13 5msf s TRP 82 Ca -0.12 -0.27 0.03 0.00 -1.06 0.00 0.00 56.10 54.68 5msf s TRP 82 Cb 0.21 0.66 -0.02 0.00 -1.16 0.00 0.00 33.47 33.16 5msf s TRP 82 CO 0.80 -0.87 -0.10 1.03 -4.06 0.00 0.00 176.95 173.75 5msf s ARG 83 N -2.99 0.64 -0.14 3.25 0.52 -1.26 -1.12 118.95 117.84 5msf s ARG 83 Ca 0.15 -0.73 -0.05 0.00 -0.52 0.00 0.00 55.73 54.57 5msf s ARG 83 Cb -0.02 -0.51 -0.04 0.00 0.52 0.00 0.00 34.95 34.90 5msf s ARG 83 CO 0.03 0.11 0.05 0.45 0.02 0.00 0.00 175.30 175.96 5msf s SER 84 N -1.38 5.59 -0.17 0.23 0.15 0.76 -4.94 113.70 113.93 5msf s SER 84 Ca -0.05 0.15 -0.00 0.00 0.70 0.00 0.00 55.95 56.75 5msf s SER 84 Cb -0.09 -1.83 0.00 0.00 -1.71 0.00 0.00 66.02 62.40 5msf s SER 84 CO 0.01 0.27 -0.15 -0.31 1.20 0.00 0.00 173.24 174.27 5msf s TYR 85 N -0.23 2.80 -0.23 3.44 1.51 -1.26 -1.09 117.35 122.30 5msf s TYR 85 Ca 0.07 -1.11 -0.06 0.00 -1.01 0.00 0.00 57.07 54.96 5msf s TYR 85 Cb -0.12 -1.92 -0.03 0.00 -0.11 0.00 0.00 41.96 39.78 5msf s TYR 85 CO 0.02 -0.53 0.04 -1.17 -1.11 0.00 0.00 175.55 172.80 5msf s LEU 86 N 0.96 3.38 -0.22 -1.29 2.96 0.25 -4.99 118.68 119.72 5msf s LEU 86 Ca -0.03 -0.19 0.01 0.00 -0.22 0.00 0.00 54.13 53.70 5msf s LEU 86 Cb -0.15 -1.88 0.05 0.00 0.50 0.00 0.00 46.19 44.71 5msf s LEU 86 CO -0.02 0.02 -0.08 0.21 -1.32 0.00 0.00 176.35 175.15 5msf s ASN 87 N 1.30 3.66 0.02 3.68 3.84 -1.26 -1.26 114.94 124.91 5msf s ASN 87 Ca 0.04 -1.05 0.06 0.00 0.21 0.00 0.00 52.86 52.13 5msf s ASN 87 Cb -0.15 -1.22 -0.02 0.00 -0.55 0.00 0.00 41.25 39.32 5msf s ASN 87 CO 0.02 -0.19 -0.18 0.00 -2.79 0.00 0.00 177.10 173.96 5msf s MET 88 N 1.38 1.32 -0.07 0.43 0.23 -0.26 -5.03 119.30 117.31 5msf s MET 88 Ca -0.04 -0.75 0.03 0.00 -1.03 0.00 0.00 55.69 53.90 5msf s MET 88 Cb -0.18 -1.34 0.01 0.00 -1.53 0.00 0.00 34.83 31.79 5msf s MET 88 CO -0.07 0.35 -0.16 -1.21 -2.03 0.00 0.00 175.02 171.90 5msf s GLU 89 N -0.80 2.04 -0.18 3.16 2.02 -1.26 -1.01 118.70 122.67 5msf s GLU 89 Ca 0.06 -0.57 0.01 0.00 0.02 0.00 0.00 54.97 54.49 5msf s GLU 89 Cb -0.08 -1.65 0.04 0.00 0.10 0.00 0.00 34.13 32.54 5msf s GLU 89 CO 0.01 0.11 -0.12 -1.17 0.02 0.00 0.00 175.26 174.11 5msf s LEU 90 N 0.45 2.06 -0.28 1.80 2.96 -0.07 -4.97 118.68 120.64 5msf s LEU 90 Ca -0.13 -0.74 -0.09 0.00 -0.22 0.00 0.00 54.13 52.95 5msf s LEU 90 Cb -0.15 -1.21 -0.02 0.00 0.50 0.00 0.00 46.19 45.30 5msf s LEU 90 CO 0.05 -0.11 0.11 -0.89 -1.32 0.00 0.00 176.35 174.19 5msf s THR 91 N 1.43 4.50 -0.10 3.68 2.01 -1.26 -0.47 115.64 125.43 5msf s THR 91 Ca 0.01 -0.27 0.04 0.00 0.31 0.00 0.00 61.69 61.78 5msf s THR 91 Cb -0.15 -3.19 -0.00 0.00 0.01 0.00 0.00 72.50 69.17 5msf s THR 91 CO -0.09 0.21 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.19 5msf s ILE 92 N 1.62 2.13 0.54 1.82 1.01 -0.10 -4.95 121.20 123.27 5msf s ILE 92 Ca 0.06 -0.99 -0.20 0.00 0.00 0.00 0.00 60.65 59.51 5msf s ILE 92 Cb -0.16 -1.82 -0.05 0.00 0.01 0.00 0.00 42.46 40.44 5msf s ILE 92 CO 0.05 0.56 1.20 -2.16 0.00 0.00 0.00 174.94 174.59 5msf s PRO 93 N 0.36 3.27 0.21 2.79 0.04 -1.26 -1.25 135.00 139.16 5msf s PRO 93 Ca -0.18 1.83 0.20 0.00 0.04 0.00 0.00 61.00 62.89 5msf s PRO 93 Cb -0.18 -2.12 0.88 0.00 0.04 0.00 0.00 34.50 33.13 5msf s PRO 93 CO 0.08 -0.97 1.60 0.44 0.04 0.00 0.00 177.00 178.19 5msf n ILE 94 N -1.16 1.01 1.48 0.56 -5.35 -0.45 -1.91 119.36 113.55 5msf n ILE 94 Ca 0.11 0.38 0.14 0.00 -0.27 0.00 0.00 62.75 63.12 5msf n ILE 94 Cb 0.49 -1.31 0.66 0.00 -1.74 0.00 0.00 39.64 37.74 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 -2.06 0.00 -2.30 4.28 3.72 -1.26 -4.84 117.46 115.00 5msf n PHE 95 Ca 0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.99 5msf n PHE 95 Cb 0.15 -0.16 -0.03 0.00 -0.94 0.00 0.00 39.48 38.50 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 -2.40 3.55 0.91 4.37 0.00 -0.80 -5.02 121.76 122.38 5msf s ALA 96 Ca 0.32 0.79 -0.13 0.00 0.00 0.00 0.00 51.96 52.94 5msf s ALA 96 Cb 0.20 -3.57 0.19 0.00 0.00 0.00 0.00 23.12 19.94 5msf s ALA 96 CO 0.45 -0.87 1.26 0.95 0.00 0.00 0.00 175.76 177.55 5msf s THR 97 N 2.37 2.02 0.20 0.00 -4.23 -1.26 -4.84 115.64 109.90 5msf s THR 97 Ca 0.61 -0.13 -0.08 0.00 -1.18 0.00 0.00 61.69 60.91 5msf s THR 97 Cb -0.29 -2.90 0.13 0.00 1.34 0.00 0.00 72.50 70.79 5msf s THR 97 CO 0.25 0.00 1.75 0.78 -0.54 0.00 0.00 174.62 176.85 5msf h ASN 98 N -1.41 1.07 -0.72 3.99 2.35 -1.99 -1.52 115.58 117.36 5msf h ASN 98 Ca -0.43 -0.20 -0.03 0.00 -0.55 0.00 0.00 56.30 55.09 5msf h ASN 98 Cb 1.24 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 39.30 5msf h ASN 98 CO 0.38 0.99 0.33 0.77 -1.65 0.00 0.00 177.43 178.25 5msf h SER 99 N 1.10 0.96 -0.72 5.81 4.64 -1.99 -0.51 113.55 122.84 5msf h SER 99 Ca 0.24 -0.12 -0.00 0.00 -0.47 0.00 0.00 61.79 61.44 5msf h SER 99 Cb 0.29 -0.25 -0.03 0.00 -0.31 0.00 0.00 62.40 62.09 5msf h SER 99 CO -0.01 0.83 0.44 0.44 -0.87 0.00 0.00 176.83 177.65 5msf h ASP 100 N 1.05 0.86 0.05 4.97 3.32 -1.75 -2.49 116.42 122.43 5msf h ASP 100 Ca 0.25 -0.06 -0.14 0.00 0.02 0.00 0.00 57.03 57.10 5msf h ASP 100 Cb 0.14 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 5msf h ASP 100 CO -0.03 0.67 -0.46 0.00 -1.72 0.00 0.00 179.24 177.70 5msf h GLU 102 N 0.39 0.55 -0.21 0.00 5.08 -0.81 -1.55 114.58 118.03 5msf h GLU 102 Ca 0.02 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 5msf h GLU 102 Cb 0.96 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 5msf h GLU 102 CO 0.08 0.45 0.10 1.25 -1.00 0.00 0.00 179.01 179.90 5msf h LEU 103 N 0.55 0.16 -0.22 1.33 5.85 -1.12 0.34 115.31 122.19 5msf h LEU 103 Ca 0.14 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.89 5msf h LEU 103 Cb 0.11 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 5msf h LEU 103 CO -0.01 0.12 0.05 0.40 -0.34 0.00 0.00 178.44 178.66 5msf h ILE 104 N 0.23 0.91 -0.30 4.05 2.04 -1.16 -0.05 117.51 123.23 5msf h ILE 104 Ca 0.09 -0.05 0.02 0.00 1.00 0.00 0.00 64.86 65.92 5msf h ILE 104 Cb 0.02 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 5msf h ILE 104 CO -0.06 0.03 0.15 0.58 0.00 0.00 0.00 178.15 178.85 5msf h VAL 105 N 0.14 1.00 -0.77 1.67 2.07 -0.92 -1.41 116.25 118.03 5msf h VAL 105 Ca 0.10 -0.11 0.03 0.00 0.82 0.00 0.00 66.70 67.54 5msf h VAL 105 Cb 0.09 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 30.46 5msf h VAL 105 CO -0.12 0.06 0.49 0.11 0.02 0.00 0.00 177.57 178.12 5msf h LYS 106 N 0.32 0.92 -0.72 1.57 1.57 -0.60 -1.05 116.57 118.58 5msf h LYS 106 Ca 0.12 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 5msf h LYS 106 Cb 0.03 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.10 5msf h LYS 106 CO -0.08 0.61 0.44 0.00 -0.57 0.00 0.00 179.45 179.85 5msf h ALA 107 N 1.33 0.92 -0.46 3.86 0.00 -0.47 0.45 119.26 124.89 5msf h ALA 107 Ca 0.31 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.05 5msf h ALA 107 Cb 0.02 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 5msf h ALA 107 CO -0.11 0.39 -0.07 0.52 0.00 0.00 0.00 179.25 179.98 5msf h MET 108 N 0.99 0.81 -0.48 0.00 2.86 -0.74 0.48 114.93 118.85 5msf h MET 108 Ca 0.26 -0.25 -0.11 0.00 -2.06 0.00 0.00 59.70 57.53 5msf h MET 108 Cb -0.03 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 5msf h MET 108 CO -0.05 0.86 -0.14 1.96 1.06 0.00 0.00 176.91 180.60 5msf h GLN 109 N 0.74 0.94 -0.57 1.72 4.20 -0.72 -2.97 115.11 118.45 5msf h GLN 109 Ca 0.13 -0.37 -0.08 0.00 0.06 0.00 0.00 58.65 58.39 5msf h GLN 109 Cb 0.55 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 5msf h GLN 109 CO 0.03 1.04 0.04 0.78 -0.67 0.00 0.00 178.83 180.05 5msf h GLY 110 N 0.79 1.06 0.36 3.46 0.00 -0.60 -2.19 103.07 105.95 5msf h GLY 110 Ca 0.12 -0.75 0.18 0.00 0.00 0.00 0.00 47.33 46.88 5msf h GLY 110 CO 0.05 0.69 0.59 -2.00 0.00 0.00 0.00 176.54 175.87 5msf h LEU 111 N 0.87 0.54 -2.49 3.11 5.85 -0.76 -2.42 115.31 120.01 5msf h LEU 111 Ca 0.17 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.94 5msf h LEU 111 Cb 0.49 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.47 5msf h LEU 111 CO 0.02 0.23 0.00 0.18 -0.34 0.00 0.00 178.44 178.54 5msf n LEU 112 N -4.56 3.14 -4.75 2.25 4.77 -1.07 -4.38 117.00 112.40 5msf n LEU 112 Ca 0.19 -1.71 -0.39 0.00 -0.03 0.00 0.00 56.01 54.06 5msf n LEU 112 Cb 0.60 -0.25 0.03 0.00 -2.33 0.00 0.00 43.42 41.47 5msf n LEU 112 CO 0.29 0.73 1.01 1.17 -1.33 0.00 0.00 177.39 179.26 5msf n LYS 113 N 1.03 1.97 -1.69 3.23 4.81 -0.85 -4.82 118.16 121.85 5msf n LYS 113 Ca 0.16 0.71 -0.44 0.00 -0.87 0.00 0.00 58.31 57.87 5msf n LYS 113 Cb 0.49 -2.58 -0.02 0.00 0.02 0.00 0.00 35.03 32.94 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 -0.49 3.00 0.00 3.14 8.00 -1.26 -1.96 116.55 126.98 5msf n ASP 114 Ca 0.08 1.16 0.00 0.00 0.71 0.00 0.00 54.79 56.73 5msf n ASP 114 Cb 0.43 -1.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.05 5msf n ASP 114 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 5msf n GLY 115 N 1.86 3.22 3.80 0.44 0.00 -1.26 -5.05 105.19 108.19 5msf n GLY 115 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.28 5.13 0.06 1.61 0.01 -0.83 -4.86 114.94 115.78 5msf s ASN 116 Ca 0.00 1.74 -0.15 0.00 -0.71 0.00 0.00 52.86 53.74 5msf s ASN 116 Cb 0.00 -2.51 -0.05 0.00 0.41 0.00 0.00 41.25 39.10 5msf s ASN 116 CO 0.00 -1.62 1.25 -0.65 -1.51 0.00 0.00 177.10 174.57 5msf h PRO 117 N -0.64 -0.17 -0.09 -0.60 0.11 -1.89 -2.37 132.00 126.35 5msf h PRO 117 Ca -0.44 0.01 0.04 0.00 0.11 0.00 0.00 66.00 65.72 5msf h PRO 117 Cb 1.22 0.04 -0.06 0.00 0.11 0.00 0.00 31.00 32.31 5msf h PRO 117 CO 0.55 -0.12 -0.40 0.82 -0.21 0.00 0.00 178.00 178.65 5msf h ILE 118 N -0.18 0.18 -0.21 4.15 5.03 -1.94 -0.07 117.51 124.47 5msf h ILE 118 Ca 0.03 0.00 0.02 0.00 -0.12 0.00 0.00 64.86 64.79 5msf h ILE 118 Cb 0.27 0.18 -0.01 0.00 -3.03 0.00 0.00 36.82 34.23 5msf h ILE 118 CO -0.27 0.00 0.14 1.55 -0.68 0.00 0.00 178.15 178.89 5msf h PRO 119 N -0.50 0.19 -0.10 2.37 0.13 -1.76 -1.55 132.00 130.79 5msf h PRO 119 Ca 0.07 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.18 5msf h PRO 119 Cb 0.62 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.70 5msf h PRO 119 CO -0.36 0.13 0.01 0.77 -0.23 0.00 0.00 178.00 178.32 5msf h SER 120 N 0.20 0.16 -0.07 1.44 0.02 -0.68 -1.82 113.55 112.79 5msf h SER 120 Ca 0.08 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.76 5msf h SER 120 Cb 0.09 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.59 5msf h SER 120 CO -0.02 0.39 0.04 0.00 -1.14 0.00 0.00 176.83 176.11 5msf h ALA 121 N 0.77 0.08 -0.11 3.77 0.00 -0.52 -2.59 119.26 120.66 5msf h ALA 121 Ca 0.03 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.97 5msf h ALA 121 Cb 0.31 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 5msf h ALA 121 CO 0.00 -0.42 -0.12 0.82 0.00 0.00 0.00 179.25 179.53 5msf h ILE 122 N 0.09 0.67 0.00 0.00 2.04 -1.28 -1.54 117.51 117.48 5msf h ILE 122 Ca 0.02 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.88 5msf h ILE 122 Cb -0.01 0.67 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 5msf h ILE 122 CO -0.01 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.14 5msf n ALA 123 N -2.48 1.44 -0.10 1.87 0.00 -0.69 -2.07 120.51 118.48 5msf n ALA 123 Ca -0.03 -0.03 0.03 0.00 0.00 0.00 0.00 53.44 53.41 5msf n ALA 123 Cb 0.18 -1.14 0.09 0.00 0.00 0.00 0.00 19.45 18.58 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 -1.47 2.12 -3.75 0.00 0.00 -0.66 -4.98 120.51 111.77 5msf n ALA 124 Ca 0.02 -1.07 -0.23 0.00 0.00 0.00 0.00 53.44 52.16 5msf n ALA 124 Cb 0.10 -0.27 0.03 0.00 0.00 0.00 0.00 19.45 19.31 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 0.13 -1.50 -4.13 0.00 3.02 -0.88 -4.97 115.26 106.93 5msf n ASN 125 Ca 0.07 -0.83 -0.10 0.00 -0.03 0.00 0.00 54.58 53.68 5msf n ASN 125 Cb 0.35 -3.95 -0.09 0.00 -0.61 0.00 0.00 39.78 35.48 5msf n ASN 125 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 5msf s SER 126 N -4.24 0.19 0.14 6.41 1.04 -0.74 -5.06 113.70 111.42 5msf s SER 126 Ca 0.08 -1.20 0.00 0.00 0.48 0.00 0.00 55.95 55.31 5msf s SER 126 Cb -0.04 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.45 5msf s SER 126 CO 0.82 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.83 5msf n GLY 127 N -0.19 1.08 3.74 7.32 0.00 -1.26 -4.26 105.19 111.62 5msf n GLY 127 Ca -0.03 -1.95 -0.36 0.00 0.00 0.00 0.00 46.02 43.68 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 0.95 4.85 0.00 -0.61 1.01 -1.26 -4.80 121.20 121.34 5msf s ILE 128 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 60.65 60.62 5msf s ILE 128 Cb 0.00 -3.10 0.00 0.00 0.01 0.00 0.00 42.46 39.37 5msf s ILE 128 CO 0.00 0.58 0.00 0.00 0.00 0.00 0.00 174.94 175.52