#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 7msf s SER 2 N 0.00 -0.22 0.00 0.00 0.15 -1.26 -5.02 113.70 107.35 7msf s SER 2 Ca 0.00 0.39 0.12 0.00 0.70 0.00 0.00 55.95 57.16 7msf s SER 2 Cb 0.00 0.78 0.20 0.00 -1.71 0.00 0.00 66.02 65.28 7msf s SER 2 CO 0.00 -0.06 1.05 -0.46 1.20 0.00 0.00 173.24 174.97 7msf n ASN 3 N 2.65 2.43 -3.55 5.45 6.94 -1.26 -4.64 115.26 123.28 7msf n ASN 3 Ca -0.15 -1.71 -0.40 0.00 -0.02 0.00 0.00 54.58 52.29 7msf n ASN 3 Cb 0.57 -0.11 -0.00 0.00 -2.36 0.00 0.00 39.78 37.88 7msf n ASN 3 CO 0.00 0.00 0.00 0.33 -1.03 0.00 0.00 177.26 176.56 7msf n PHE 4 N 0.65 2.64 -4.49 -2.53 7.35 -1.26 -4.91 117.46 114.91 7msf n PHE 4 Ca 0.09 -2.79 -0.31 0.00 -0.76 0.00 0.00 57.45 53.68 7msf n PHE 4 Cb 0.36 -1.77 -0.05 0.00 0.35 0.00 0.00 39.48 38.37 7msf n PHE 4 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 7msf s THR 5 N -1.34 1.20 0.31 -2.13 -4.23 -1.26 -4.77 115.64 103.43 7msf s THR 5 Ca 0.50 -1.83 -0.15 0.00 -1.18 0.00 0.00 61.69 59.03 7msf s THR 5 Cb 0.17 -2.04 -0.09 0.00 1.34 0.00 0.00 72.50 71.89 7msf s THR 5 CO -0.08 0.00 0.73 0.00 -0.54 0.00 0.00 174.62 174.73 7msf s GLN 6 N -4.04 4.02 0.17 3.99 -2.07 -1.26 -4.43 119.66 116.04 7msf s GLN 6 Ca 0.12 0.68 -0.12 0.00 -1.82 0.00 0.00 55.36 54.22 7msf s GLN 6 Cb -0.01 -2.47 0.01 0.00 -1.09 0.00 0.00 33.01 29.45 7msf s GLN 6 CO 0.07 0.18 0.36 -0.59 -1.32 0.00 0.00 175.29 173.99 7msf s PHE 7 N -1.95 0.18 -0.39 9.60 -0.71 -0.67 -4.99 117.98 119.06 7msf s PHE 7 Ca 0.53 -0.54 -0.26 0.00 -1.04 0.00 0.00 56.93 55.62 7msf s PHE 7 Cb -0.11 0.11 0.02 0.00 -1.21 0.00 0.00 43.02 41.83 7msf s PHE 7 CO 0.18 -0.77 0.96 0.08 -1.34 0.00 0.00 175.22 174.32 7msf s VAL 8 N -3.92 4.52 -0.01 -2.49 1.01 -1.26 -1.13 120.40 117.11 7msf s VAL 8 Ca 0.13 1.16 -0.11 0.00 0.00 0.00 0.00 61.98 63.16 7msf s VAL 8 Cb 0.02 -4.39 -0.32 0.00 0.00 0.00 0.00 36.38 31.69 7msf s VAL 8 CO -0.02 -0.63 0.83 0.25 0.00 0.00 0.00 175.10 175.53 7msf h LEU 9 N 10.28 0.67 -7.88 3.92 5.85 -1.06 -3.45 115.31 123.65 7msf h LEU 9 Ca -0.23 -0.86 -0.59 0.00 0.84 0.00 0.00 57.88 57.04 7msf h LEU 9 Cb 1.07 -0.22 -0.36 0.00 0.37 0.00 0.00 40.66 41.53 7msf h LEU 9 CO 1.01 1.70 -0.83 -0.69 -0.34 0.00 0.00 178.44 179.29 7msf s VAL 10 N -2.59 1.48 -1.16 1.05 1.01 -0.84 -4.99 120.40 114.35 7msf s VAL 10 Ca -0.12 -0.58 -0.11 0.00 0.00 0.00 0.00 61.98 61.17 7msf s VAL 10 Cb 0.05 -1.39 0.24 0.00 0.00 0.00 0.00 36.38 35.27 7msf s VAL 10 CO 0.89 0.44 1.29 -0.67 0.00 0.00 0.00 175.10 177.05 7msf n ASP 11 N 4.72 5.44 -3.77 3.32 -0.08 -1.26 -1.14 116.55 123.79 7msf n ASP 11 Ca -0.17 -3.04 -0.42 0.00 -1.51 0.00 0.00 54.79 49.66 7msf n ASP 11 Cb 0.50 -1.45 0.00 0.00 2.34 0.00 0.00 41.12 42.51 7msf n ASP 11 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 7msf n ASN 12 N 3.78 5.75 0.00 1.67 3.02 -1.26 -4.89 115.26 123.33 7msf n ASN 12 Ca 0.30 -3.11 0.00 0.00 -0.03 0.00 0.00 54.58 51.74 7msf n ASN 12 Cb 0.40 -1.46 0.00 0.00 -0.61 0.00 0.00 39.78 38.11 7msf n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 7msf n GLY 13 N 2.59 1.84 0.00 7.41 0.00 -1.26 -3.07 105.19 112.70 7msf n GLY 13 Ca 0.45 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.92 7msf n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 7msf n GLY 14 N 0.00 -1.51 1.05 -0.02 0.00 -1.26 -4.90 105.19 98.55 7msf n GLY 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 7msf n GLY 14 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 7msf n THR 15 N -0.06 0.31 0.39 2.61 -2.24 -1.24 -4.75 114.28 109.29 7msf n THR 15 Ca 0.00 0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 7msf n THR 15 Cb 0.41 -1.11 0.00 0.00 -2.10 0.00 0.00 70.33 67.52 7msf n THR 15 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 7msf n GLY 16 N 3.43 0.74 3.71 3.38 0.00 -1.17 -4.83 105.19 110.44 7msf n GLY 16 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 7msf n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 7msf s ASP 17 N 0.69 6.68 -0.30 1.61 1.01 -1.26 -4.31 116.67 120.79 7msf s ASP 17 Ca 0.00 2.46 -0.15 0.00 0.71 0.00 0.00 52.55 55.57 7msf s ASP 17 Cb 0.00 -2.58 -0.03 0.00 1.01 0.00 0.00 42.92 41.32 7msf s ASP 17 CO 0.00 -0.78 0.37 -0.69 0.21 0.00 0.00 175.17 174.28 7msf s VAL 18 N 1.53 5.17 -0.07 -1.27 1.01 -0.29 -4.97 120.40 121.52 7msf s VAL 18 Ca 0.69 0.35 0.01 0.00 0.00 0.00 0.00 61.98 63.03 7msf s VAL 18 Cb -0.40 -3.75 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 7msf s VAL 18 CO 0.31 0.05 -0.09 -0.89 0.00 0.00 0.00 175.10 174.48 7msf s THR 19 N 2.06 3.51 0.01 3.92 2.01 -1.26 -0.37 115.64 125.51 7msf s THR 19 Ca 0.14 -0.55 0.06 0.00 0.31 0.00 0.00 61.69 61.65 7msf s THR 19 Cb -0.16 -2.43 -0.03 0.00 0.01 0.00 0.00 72.50 69.89 7msf s THR 19 CO 0.11 0.59 -0.16 0.68 -0.69 0.00 0.00 174.62 175.14 7msf s VAL 20 N -0.68 2.91 0.10 3.82 -7.23 -0.29 -4.17 120.40 114.87 7msf s VAL 20 Ca 0.10 -1.01 0.09 0.00 -1.81 0.00 0.00 61.98 59.35 7msf s VAL 20 Cb -0.11 -2.19 -0.04 0.00 0.56 0.00 0.00 36.38 34.60 7msf s VAL 20 CO 0.01 0.43 -0.22 0.00 -0.31 0.00 0.00 175.10 175.01 7msf s ALA 21 N -0.86 1.94 0.24 1.32 0.00 0.09 -1.66 121.76 122.82 7msf s ALA 21 Ca 0.14 -1.29 -0.31 0.00 0.00 0.00 0.00 51.96 50.50 7msf s ALA 21 Cb -0.11 -0.28 -0.14 0.00 0.00 0.00 0.00 23.12 22.59 7msf s ALA 21 CO 0.04 0.41 1.24 -2.30 0.00 0.00 0.00 175.76 175.14 7msf n PRO 22 N 1.10 1.61 0.00 0.00 -0.02 -1.26 -0.75 135.00 135.68 7msf n PRO 22 Ca -0.19 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 7msf n PRO 22 Cb 0.53 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 7msf n PRO 22 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 7msf n SER 23 N 1.80 2.79 -3.53 2.55 3.41 0.44 -4.81 113.62 116.27 7msf n SER 23 Ca 0.12 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.56 7msf n SER 23 Cb 0.30 0.15 -0.06 0.00 -0.26 0.00 0.00 64.21 64.33 7msf n SER 23 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 7msf s ASN 24 N -2.98 -0.62 -0.36 4.04 3.84 -1.14 -5.03 114.94 112.69 7msf s ASN 24 Ca 0.00 0.70 0.13 0.00 0.21 0.00 0.00 52.86 53.90 7msf s ASN 24 Cb 0.00 0.54 0.38 0.00 -0.55 0.00 0.00 41.25 41.62 7msf s ASN 24 CO 0.00 -0.55 0.84 0.33 -2.79 0.00 0.00 177.10 174.93 7msf n PHE 25 N 0.96 0.11 -3.74 0.43 -0.00 -1.26 -0.57 117.46 113.39 7msf n PHE 25 Ca -0.17 -3.34 -0.34 0.00 -0.00 0.00 0.00 57.45 53.59 7msf n PHE 25 Cb 0.57 -0.18 -0.05 0.00 -0.00 0.00 0.00 39.48 39.82 7msf n PHE 25 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 7msf s ALA 26 N -2.31 3.84 -1.50 3.13 0.00 -1.21 -4.46 121.76 119.25 7msf s ALA 26 Ca 0.34 -0.56 -0.10 0.00 0.00 0.00 0.00 51.96 51.64 7msf s ALA 26 Cb 0.38 -2.08 0.07 0.00 0.00 0.00 0.00 23.12 21.49 7msf s ALA 26 CO -0.05 0.65 0.84 0.09 0.00 0.00 0.00 175.76 177.29 7msf n ASN 27 N 1.01 -3.39 -0.51 0.00 4.13 -1.26 -1.69 115.26 113.54 7msf n ASN 27 Ca -0.10 -0.84 -0.07 0.00 1.68 0.00 0.00 54.58 55.25 7msf n ASN 27 Cb 0.53 -3.68 -0.03 0.00 -1.54 0.00 0.00 39.78 35.05 7msf n ASN 27 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 7msf n GLY 28 N -1.66 0.81 3.13 7.41 0.00 -1.26 -4.99 105.19 108.63 7msf n GLY 28 Ca -0.06 -0.22 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 7msf n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 7msf s VAL 29 N -1.96 2.62 0.17 1.61 1.01 -0.68 -4.49 120.40 118.69 7msf s VAL 29 Ca 0.00 -1.44 -0.30 0.00 0.00 0.00 0.00 61.98 60.24 7msf s VAL 29 Cb 0.00 -2.49 -0.07 0.00 0.00 0.00 0.00 36.38 33.81 7msf s VAL 29 CO 0.00 -0.03 0.94 0.00 0.00 0.00 0.00 175.10 176.01 7msf s ALA 30 N 1.20 3.30 -0.03 5.51 0.00 -0.13 -3.28 121.76 128.33 7msf s ALA 30 Ca -0.06 0.58 0.01 0.00 0.00 0.00 0.00 51.96 52.49 7msf s ALA 30 Cb -0.19 -3.23 0.02 0.00 0.00 0.00 0.00 23.12 19.72 7msf s ALA 30 CO -0.03 0.10 -0.03 -2.00 0.00 0.00 0.00 175.76 173.79 7msf s GLU 31 N -0.60 0.64 0.09 0.00 2.12 0.27 -1.09 118.70 120.13 7msf s GLU 31 Ca 0.44 -0.07 0.08 0.00 0.36 0.00 0.00 54.97 55.77 7msf s GLU 31 Cb -0.25 -0.68 -0.04 0.00 0.26 0.00 0.00 34.13 33.42 7msf s GLU 31 CO 0.31 -0.06 -0.15 -1.58 -0.54 0.00 0.00 175.26 173.23 7msf s TRP 32 N 0.79 2.61 -0.03 5.30 0.51 0.64 -0.42 118.94 128.33 7msf s TRP 32 Ca -0.10 -0.22 -0.05 0.00 -2.12 0.00 0.00 56.10 53.62 7msf s TRP 32 Cb -0.13 -1.41 0.01 0.00 -0.81 0.00 0.00 33.47 31.13 7msf s TRP 32 CO -0.00 0.37 0.12 0.42 -0.51 0.00 0.00 176.95 177.34 7msf s ILE 33 N -1.12 0.03 0.69 2.03 -1.09 0.07 -1.86 121.20 119.96 7msf s ILE 33 Ca 0.18 -0.26 -0.11 0.00 -2.23 0.00 0.00 60.65 58.23 7msf s ILE 33 Cb -0.11 -0.26 0.00 0.00 -1.58 0.00 0.00 42.46 40.52 7msf s ILE 33 CO 0.10 -0.14 1.08 -0.94 -1.23 0.00 0.00 174.94 173.81 7msf s SER 34 N -0.45 5.59 0.93 3.58 1.04 -0.97 -0.73 113.70 122.68 7msf s SER 34 Ca -0.05 1.23 -0.12 0.00 0.48 0.00 0.00 55.95 57.49 7msf s SER 34 Cb -0.03 -2.09 0.15 0.00 0.10 0.00 0.00 66.02 64.14 7msf s SER 34 CO 0.00 -1.26 1.10 -0.55 0.98 0.00 0.00 173.24 173.52 7msf s SER 35 N -4.27 3.27 0.14 7.02 0.15 -1.26 -4.69 113.70 114.06 7msf s SER 35 Ca 0.58 1.21 0.00 0.00 0.70 0.00 0.00 55.95 58.43 7msf s SER 35 Cb -0.11 -1.86 0.00 0.00 -1.71 0.00 0.00 66.02 62.33 7msf s SER 35 CO 0.53 -2.73 0.00 0.59 1.20 0.00 0.00 173.24 172.83 7msf n ASN 36 N -3.91 -1.23 -3.22 5.45 3.02 -1.26 -4.82 115.26 109.29 7msf n ASN 36 Ca 0.06 0.09 -0.46 0.00 -0.03 0.00 0.00 54.58 54.25 7msf n ASN 36 Cb 0.57 -0.26 -0.07 0.00 -0.61 0.00 0.00 39.78 39.40 7msf n ASN 36 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 7msf n SER 37 N -0.34 0.77 -0.05 6.41 7.64 -1.26 -4.76 113.62 122.03 7msf n SER 37 Ca 0.00 0.75 0.11 0.00 1.01 0.00 0.00 58.87 60.74 7msf n SER 37 Cb 0.04 -0.61 0.50 0.00 -1.01 0.00 0.00 64.21 63.13 7msf n SER 37 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 7msf h ARG 38 N 4.09 0.39 -0.13 1.43 9.65 -1.90 0.15 114.38 128.05 7msf h ARG 38 Ca -0.25 -0.02 0.04 0.00 -1.10 0.00 0.00 59.98 58.64 7msf h ARG 38 Cb 0.96 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 29.45 7msf h ARG 38 CO 0.70 0.26 0.11 0.66 2.80 0.00 0.00 179.97 184.50 7msf h SER 39 N 0.40 0.00 -0.17 -3.80 4.64 -1.86 -1.92 113.55 110.84 7msf h SER 39 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 7msf h SER 39 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 7msf h SER 39 CO -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.90 7msf n GLN 40 N -4.12 2.59 -2.40 4.77 6.02 -0.01 -3.80 117.38 120.43 7msf n GLN 40 Ca 0.00 -2.22 -0.30 0.00 -0.01 0.00 0.00 57.00 54.46 7msf n GLN 40 Cb 0.23 -1.40 -0.01 0.00 1.02 0.00 0.00 30.24 30.08 7msf n GLN 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 7msf s ALA 41 N -1.85 3.22 0.26 -1.58 0.00 -0.73 -4.83 121.76 116.25 7msf s ALA 41 Ca 0.24 -0.14 -0.16 0.00 0.00 0.00 0.00 51.96 51.90 7msf s ALA 41 Cb 0.18 -2.89 -0.08 0.00 0.00 0.00 0.00 23.12 20.32 7msf s ALA 41 CO 0.07 -0.34 0.70 0.71 0.00 0.00 0.00 175.76 176.90 7msf s TYR 42 N -2.76 3.51 -0.01 0.00 1.51 -1.26 -4.59 117.35 113.75 7msf s TYR 42 Ca 0.53 1.24 0.02 0.00 -1.01 0.00 0.00 57.07 57.86 7msf s TYR 42 Cb -0.10 -2.53 -0.00 0.00 -0.11 0.00 0.00 41.96 39.22 7msf s TYR 42 CO 0.41 0.24 -0.08 0.21 -1.11 0.00 0.00 175.55 175.21 7msf s LYS 43 N -2.48 0.76 -0.03 -0.62 2.20 -1.06 -2.30 119.74 116.22 7msf s LYS 43 Ca 0.48 -0.29 0.01 0.00 -0.36 0.00 0.00 55.97 55.80 7msf s LYS 43 Cb -0.13 -0.73 0.02 0.00 -1.51 0.00 0.00 37.83 35.48 7msf s LYS 43 CO 0.19 0.15 -0.01 0.08 -0.36 0.00 0.00 175.35 175.40 7msf s VAL 44 N -0.04 0.23 0.07 4.02 1.01 -0.78 -0.39 120.40 124.52 7msf s VAL 44 Ca 0.01 0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.07 7msf s VAL 44 Cb -0.05 -0.30 -0.03 0.00 0.00 0.00 0.00 36.38 36.00 7msf s VAL 44 CO -0.00 0.14 -0.12 0.42 0.00 0.00 0.00 175.10 175.54 7msf s THR 45 N 0.87 0.98 -0.08 3.92 -4.23 0.06 -0.26 115.64 116.90 7msf s THR 45 Ca -0.09 -1.28 -0.13 0.00 -1.18 0.00 0.00 61.69 59.00 7msf s THR 45 Cb -0.12 -0.99 0.03 0.00 1.34 0.00 0.00 72.50 72.75 7msf s THR 45 CO -0.01 -0.28 0.33 0.00 -0.54 0.00 0.00 174.62 174.11 7msf s SER 47 N -0.49 -0.62 0.17 0.00 1.04 -0.90 -0.95 113.70 111.95 7msf s SER 47 Ca -0.06 0.78 0.09 0.00 0.48 0.00 0.00 55.95 57.24 7msf s SER 47 Cb -0.04 0.68 -0.04 0.00 0.10 0.00 0.00 66.02 66.72 7msf s SER 47 CO 0.02 -0.52 -0.19 -0.69 0.98 0.00 0.00 173.24 172.84 7msf s VAL 48 N -0.89 1.92 -0.10 5.02 1.01 -1.26 -0.54 120.40 125.57 7msf s VAL 48 Ca -0.09 -1.95 -0.30 0.00 0.00 0.00 0.00 61.98 59.63 7msf s VAL 48 Cb -0.01 -1.91 0.12 0.00 0.00 0.00 0.00 36.38 34.58 7msf s VAL 48 CO 0.08 -0.29 0.97 0.00 0.00 0.00 0.00 175.10 175.86 7msf s ARG 49 N -2.81 0.66 -0.73 2.72 1.70 -0.73 -4.98 118.95 114.78 7msf s ARG 49 Ca 0.17 -0.07 -0.25 0.00 -0.47 0.00 0.00 55.73 55.11 7msf s ARG 49 Cb -0.06 0.31 0.04 0.00 -0.57 0.00 0.00 34.95 34.67 7msf s ARG 49 CO 0.07 -0.25 1.19 -1.14 -1.08 0.00 0.00 175.30 174.09 7msf s GLN 50 N -2.08 3.19 0.43 3.89 2.00 -1.26 0.21 119.66 126.04 7msf s GLN 50 Ca 0.02 -0.48 0.22 0.00 -2.00 0.00 0.00 55.36 53.12 7msf s GLN 50 Cb -0.01 -4.26 0.93 0.00 0.80 0.00 0.00 33.01 30.48 7msf s GLN 50 CO -0.03 -2.05 1.85 0.66 -0.50 0.00 0.00 175.29 175.21 7msf h SER 51 N 9.87 0.00 -5.01 6.67 4.64 -1.71 -3.47 113.55 124.54 7msf h SER 51 Ca -0.25 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.06 7msf h SER 51 Cb 1.05 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.13 7msf h SER 51 CO 1.26 0.27 0.25 -0.94 -0.87 0.00 0.00 176.83 176.80 7msf s SER 52 N -6.35 -0.02 0.37 4.97 1.04 -1.11 -4.98 113.70 107.63 7msf s SER 52 Ca -0.01 -1.05 0.10 0.00 0.48 0.00 0.00 55.95 55.47 7msf s SER 52 Cb 0.12 0.82 0.87 0.00 0.10 0.00 0.00 66.02 67.93 7msf s SER 52 CO 0.65 -1.62 1.88 0.00 0.98 0.00 0.00 173.24 175.13 7msf h ALA 53 N 2.00 1.89 -0.00 5.32 0.00 -2.03 -2.96 119.26 123.49 7msf h ALA 53 Ca -0.30 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.63 7msf h ALA 53 Cb 1.25 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.93 7msf h ALA 53 CO 0.37 -0.12 -0.50 1.04 0.00 0.00 0.00 179.25 180.04 7msf n GLN 54 N -4.54 3.18 -4.58 0.00 6.02 -1.26 -4.93 117.38 111.27 7msf n GLN 54 Ca 0.17 -0.06 -0.31 0.00 -0.01 0.00 0.00 57.00 56.79 7msf n GLN 54 Cb 0.48 -1.04 -0.12 0.00 1.02 0.00 0.00 30.24 30.58 7msf n GLN 54 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 7msf s ASN 55 N -2.00 3.86 -0.08 1.08 0.01 -1.12 0.32 114.94 117.02 7msf s ASN 55 Ca 0.05 -0.44 0.04 0.00 -0.71 0.00 0.00 52.86 51.80 7msf s ASN 55 Cb 0.09 -0.62 -0.01 0.00 0.41 0.00 0.00 41.25 41.11 7msf s ASN 55 CO 0.44 0.24 -0.21 -0.13 -1.51 0.00 0.00 177.10 175.94 7msf s ARG 56 N -1.58 2.79 -0.10 -0.60 0.52 -0.15 -1.92 118.95 117.91 7msf s ARG 56 Ca 0.15 -0.83 0.03 0.00 -0.52 0.00 0.00 55.73 54.57 7msf s ARG 56 Cb -0.11 -2.31 -0.00 0.00 0.52 0.00 0.00 34.95 33.05 7msf s ARG 56 CO 0.06 0.35 -0.22 0.21 0.02 0.00 0.00 175.30 175.72 7msf s LYS 57 N -0.06 3.06 -0.15 3.54 2.20 0.13 -0.75 119.74 127.71 7msf s LYS 57 Ca -0.05 -0.85 -0.07 0.00 -0.36 0.00 0.00 55.97 54.64 7msf s LYS 57 Cb -0.14 -2.35 -0.04 0.00 -1.51 0.00 0.00 37.83 33.79 7msf s LYS 57 CO 0.04 0.21 0.10 0.71 -0.36 0.00 0.00 175.35 176.05 7msf s TYR 58 N 0.28 3.41 -0.26 4.03 1.51 0.54 -1.78 117.35 125.07 7msf s TYR 58 Ca -0.16 0.32 0.02 0.00 -1.01 0.00 0.00 57.07 56.24 7msf s TYR 58 Cb -0.17 -2.00 0.07 0.00 -0.11 0.00 0.00 41.96 39.75 7msf s TYR 58 CO 0.08 0.46 -0.04 0.99 -1.11 0.00 0.00 175.55 175.93 7msf s THR 59 N -0.38 1.76 -0.05 -0.71 2.01 0.30 -1.01 115.64 117.56 7msf s THR 59 Ca 0.10 -1.51 0.02 0.00 0.31 0.00 0.00 61.69 60.61 7msf s THR 59 Cb -0.12 -2.04 -0.03 0.00 0.01 0.00 0.00 72.50 70.32 7msf s THR 59 CO 0.02 -0.20 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.03 7msf s ILE 60 N 1.26 3.54 -0.00 1.82 1.01 -0.17 -2.12 121.20 126.54 7msf s ILE 60 Ca -0.03 -0.58 0.01 0.00 0.00 0.00 0.00 60.65 60.04 7msf s ILE 60 Cb -0.19 -2.45 0.00 0.00 0.01 0.00 0.00 42.46 39.83 7msf s ILE 60 CO -0.08 0.57 -0.02 -0.54 0.00 0.00 0.00 174.94 174.87 7msf s LYS 61 N -0.88 0.16 0.01 2.79 1.02 0.01 -1.07 119.74 121.78 7msf s LYS 61 Ca 0.13 -0.06 0.03 0.00 0.02 0.00 0.00 55.97 56.09 7msf s LYS 61 Cb -0.11 -0.17 -0.01 0.00 -0.52 0.00 0.00 37.83 37.02 7msf s LYS 61 CO 0.02 0.03 -0.10 0.08 -0.92 0.00 0.00 175.35 174.46 7msf s VAL 62 N 0.03 0.78 -0.11 3.17 1.01 -0.42 -0.76 120.40 124.10 7msf s VAL 62 Ca 0.00 -0.62 0.01 0.00 0.00 0.00 0.00 61.98 61.37 7msf s VAL 62 Cb -0.02 -0.69 0.02 0.00 0.00 0.00 0.00 36.38 35.69 7msf s VAL 62 CO -0.00 0.07 -0.13 -1.61 0.00 0.00 0.00 175.10 173.43 7msf s GLU 63 N -0.61 2.04 -0.25 2.72 2.02 0.47 -1.00 118.70 124.09 7msf s GLU 63 Ca 0.01 -0.48 -0.04 0.00 0.02 0.00 0.00 54.97 54.48 7msf s GLU 63 Cb -0.05 -1.82 0.01 0.00 0.10 0.00 0.00 34.13 32.37 7msf s GLU 63 CO 0.00 -0.13 -0.02 0.08 0.02 0.00 0.00 175.26 175.21 7msf s VAL 64 N 1.20 3.29 0.34 2.63 1.01 -0.52 -2.55 120.40 125.80 7msf s VAL 64 Ca -0.03 -0.79 -0.06 0.00 0.00 0.00 0.00 61.98 61.10 7msf s VAL 64 Cb -0.14 -2.63 -0.05 0.00 0.00 0.00 0.00 36.38 33.56 7msf s VAL 64 CO -0.04 0.23 0.63 -2.16 0.00 0.00 0.00 175.10 173.76 7msf s PRO 65 N 1.41 3.66 -0.46 2.72 0.04 -1.26 -0.58 135.00 140.53 7msf s PRO 65 Ca 0.02 0.14 -0.09 0.00 0.04 0.00 0.00 61.00 61.11 7msf s PRO 65 Cb -0.16 -2.55 0.11 0.00 0.04 0.00 0.00 34.50 31.94 7msf s PRO 65 CO -0.02 0.11 0.33 0.21 0.04 0.00 0.00 177.00 177.66 7msf s LYS 66 N -3.76 2.50 0.27 4.56 2.47 -0.61 -4.97 119.74 120.19 7msf s LYS 66 Ca 0.46 -1.71 -0.30 0.00 -1.56 0.00 0.00 55.97 52.86 7msf s LYS 66 Cb -0.10 -3.90 -0.11 0.00 -1.46 0.00 0.00 37.83 32.26 7msf s LYS 66 CO 0.32 -1.15 1.60 0.08 0.16 0.00 0.00 175.35 176.36 7msf s VAL 67 N 1.37 2.13 0.17 4.02 1.01 -1.26 -0.43 120.40 127.41 7msf s VAL 67 Ca 0.05 0.11 -0.23 0.00 0.00 0.00 0.00 61.98 61.91 7msf s VAL 67 Cb -0.26 -3.07 0.06 0.00 0.00 0.00 0.00 36.38 33.12 7msf s VAL 67 CO -0.00 0.02 0.65 0.00 0.00 0.00 0.00 175.10 175.76 7msf s ALA 68 N 0.24 -1.54 -0.25 5.51 0.00 -0.84 -4.75 121.76 120.12 7msf s ALA 68 Ca 0.65 0.37 -0.04 0.00 0.00 0.00 0.00 51.96 52.93 7msf s ALA 68 Cb -0.47 0.85 0.00 0.00 0.00 0.00 0.00 23.12 23.50 7msf s ALA 68 CO 0.44 -0.82 -0.01 0.99 0.00 0.00 0.00 175.76 176.36 7msf s THR 69 N -3.73 3.45 -0.12 0.00 2.01 -1.26 -1.03 115.64 114.95 7msf s THR 69 Ca 0.03 -0.65 -0.18 0.00 0.31 0.00 0.00 61.69 61.20 7msf s THR 69 Cb -0.02 -2.67 -0.04 0.00 0.01 0.00 0.00 72.50 69.78 7msf s THR 69 CO -0.09 0.28 0.46 -1.58 -0.69 0.00 0.00 174.62 173.00 7msf s GLN 70 N 1.45 4.33 -0.22 4.92 0.74 -0.18 -4.90 119.66 125.80 7msf s GLN 70 Ca 0.04 0.42 0.02 0.00 0.05 0.00 0.00 55.36 55.88 7msf s GLN 70 Cb -0.16 -3.43 0.04 0.00 1.10 0.00 0.00 33.01 30.56 7msf s GLN 70 CO -0.02 0.17 -0.15 0.99 -0.55 0.00 0.00 175.29 175.74 7msf s THR 71 N 0.59 2.08 -0.15 -0.34 2.01 -1.26 -0.21 115.64 118.36 7msf s THR 71 Ca 0.25 -1.29 -0.01 0.00 0.31 0.00 0.00 61.69 60.95 7msf s THR 71 Cb -0.15 -2.05 0.04 0.00 0.01 0.00 0.00 72.50 70.35 7msf s THR 71 CO 0.10 0.23 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.54 7msf s VAL 72 N 1.21 0.84 -0.80 3.82 1.01 -0.38 -4.75 120.40 121.34 7msf s VAL 72 Ca -0.02 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.53 7msf s VAL 72 Cb -0.17 -1.06 0.00 0.00 0.00 0.00 0.00 36.38 35.15 7msf s VAL 72 CO -0.09 0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.74 7msf n GLY 73 N 4.97 0.34 2.40 4.51 0.00 -1.26 -2.42 105.19 113.74 7msf n GLY 73 Ca -0.10 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.35 7msf n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 7msf n GLY 74 N -1.30 1.23 3.49 -0.02 0.00 -1.26 -5.01 105.19 102.32 7msf n GLY 74 Ca -0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.53 7msf n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 7msf s VAL 75 N -3.43 4.95 -0.13 1.61 1.01 -1.01 -5.08 120.40 118.32 7msf s VAL 75 Ca 0.00 -0.27 -0.06 0.00 0.00 0.00 0.00 61.98 61.65 7msf s VAL 75 Cb 0.00 -3.51 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 7msf s VAL 75 CO 0.00 0.06 0.09 -1.83 0.00 0.00 0.00 175.10 173.42 7msf s GLU 76 N 1.67 3.49 0.06 2.72 -1.05 -1.26 -1.25 118.70 123.08 7msf s GLU 76 Ca 0.05 -0.24 0.06 0.00 -0.15 0.00 0.00 54.97 54.70 7msf s GLU 76 Cb -0.17 -3.12 -0.03 0.00 -0.44 0.00 0.00 34.13 30.37 7msf s GLU 76 CO 0.08 0.63 -0.18 -0.51 0.95 0.00 0.00 175.26 176.24 7msf s LEU 77 N -0.63 2.21 -0.19 1.83 1.43 0.71 -4.96 118.68 119.07 7msf s LEU 77 Ca 0.12 -0.54 -0.29 0.00 -1.03 0.00 0.00 54.13 52.39 7msf s LEU 77 Cb -0.12 -0.78 0.00 0.00 0.03 0.00 0.00 46.19 45.32 7msf s LEU 77 CO 0.02 0.07 1.00 -2.16 0.23 0.00 0.00 176.35 175.51 7msf s PRO 78 N -1.36 4.31 0.02 1.29 0.05 -1.26 -1.01 135.00 137.03 7msf s PRO 78 Ca 0.04 1.32 0.00 0.00 0.05 0.00 0.00 61.00 62.41 7msf s PRO 78 Cb -0.09 -3.61 -0.00 0.00 0.05 0.00 0.00 34.50 30.85 7msf s PRO 78 CO 0.02 -0.51 0.01 1.33 0.05 0.00 0.00 177.00 177.91 7msf n VAL 79 N 5.04 0.00 -4.10 -0.36 0.24 -0.20 -4.64 118.33 114.31 7msf n VAL 79 Ca 0.10 -0.12 -0.33 0.00 -2.04 0.00 0.00 64.34 61.95 7msf n VAL 79 Cb 0.47 0.05 -0.16 0.00 -1.47 0.00 0.00 33.84 32.74 7msf n VAL 79 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 7msf s ALA 80 N -2.06 2.41 0.29 2.33 0.00 -1.25 -1.98 121.76 121.50 7msf s ALA 80 Ca 0.02 -1.37 0.03 0.00 0.00 0.00 0.00 51.96 50.64 7msf s ALA 80 Cb 0.00 -1.31 0.64 0.00 0.00 0.00 0.00 23.12 22.46 7msf s ALA 80 CO 0.01 -0.59 1.78 0.00 0.00 0.00 0.00 175.76 176.96 7msf h ALA 81 N 7.90 1.52 -2.56 0.00 0.00 -1.04 -3.46 119.26 121.62 7msf h ALA 81 Ca -0.38 0.07 0.14 0.00 0.00 0.00 0.00 54.91 54.74 7msf h ALA 81 Cb 1.11 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 7msf h ALA 81 CO 0.59 -0.02 0.52 1.67 0.00 0.00 0.00 179.25 182.01 7msf s TRP 82 N -5.91 0.04 -0.00 0.00 1.48 -1.26 -5.03 118.94 108.26 7msf s TRP 82 Ca -0.12 -0.46 -0.01 0.00 -1.06 0.00 0.00 56.10 54.45 7msf s TRP 82 Cb 0.24 0.71 -0.00 0.00 -1.16 0.00 0.00 33.47 33.25 7msf s TRP 82 CO 0.80 -1.00 0.02 1.03 -4.06 0.00 0.00 176.95 173.74 7msf s ARG 83 N -2.41 0.11 -0.11 3.25 0.52 -1.26 -1.58 118.95 117.47 7msf s ARG 83 Ca 0.19 -0.10 -0.15 0.00 -0.52 0.00 0.00 55.73 55.15 7msf s ARG 83 Cb -0.03 0.04 -0.05 0.00 0.52 0.00 0.00 34.95 35.44 7msf s ARG 83 CO 0.06 -0.02 0.36 0.45 0.02 0.00 0.00 175.30 176.16 7msf s SER 84 N -0.34 6.59 -0.19 0.23 0.15 0.25 -4.93 113.70 115.46 7msf s SER 84 Ca -0.04 0.69 -0.02 0.00 0.70 0.00 0.00 55.95 57.28 7msf s SER 84 Cb -0.02 -2.22 -0.01 0.00 -1.71 0.00 0.00 66.02 62.06 7msf s SER 84 CO -0.00 0.15 -0.09 -0.31 1.20 0.00 0.00 173.24 174.19 7msf s TYR 85 N 0.04 2.90 -0.19 3.44 1.51 -1.26 -1.44 117.35 122.34 7msf s TYR 85 Ca 0.20 -0.97 -0.04 0.00 -1.01 0.00 0.00 57.07 55.25 7msf s TYR 85 Cb -0.14 -2.02 -0.02 0.00 -0.11 0.00 0.00 41.96 39.67 7msf s TYR 85 CO 0.08 -0.51 -0.02 -1.17 -1.11 0.00 0.00 175.55 172.82 7msf s LEU 86 N 1.19 3.18 -0.20 -1.29 2.96 -0.17 -5.00 118.68 119.35 7msf s LEU 86 Ca 0.02 -0.22 -0.01 0.00 -0.22 0.00 0.00 54.13 53.70 7msf s LEU 86 Cb -0.14 -1.79 0.06 0.00 0.50 0.00 0.00 46.19 44.81 7msf s LEU 86 CO -0.03 0.08 -0.01 0.21 -1.32 0.00 0.00 176.35 175.29 7msf s ASN 87 N 0.88 3.22 0.06 3.68 2.47 -1.26 -1.30 114.94 122.69 7msf s ASN 87 Ca 0.00 -0.91 0.09 0.00 0.42 0.00 0.00 52.86 52.45 7msf s ASN 87 Cb -0.14 -0.85 -0.03 0.00 -1.45 0.00 0.00 41.25 38.78 7msf s ASN 87 CO 0.02 -0.26 -0.24 0.00 -3.72 0.00 0.00 177.10 172.90 7msf s MET 88 N 1.66 1.55 -0.09 0.43 0.23 -0.23 -5.02 119.30 117.84 7msf s MET 88 Ca -0.02 -1.08 0.02 0.00 -1.03 0.00 0.00 55.69 53.58 7msf s MET 88 Cb -0.17 -1.75 0.01 0.00 -1.53 0.00 0.00 34.83 31.39 7msf s MET 88 CO -0.07 0.44 -0.15 -1.21 -2.03 0.00 0.00 175.02 172.00 7msf s GLU 89 N -1.35 2.09 -0.19 3.16 2.02 -1.26 -1.00 118.70 122.18 7msf s GLU 89 Ca 0.10 -0.53 0.01 0.00 0.02 0.00 0.00 54.97 54.57 7msf s GLU 89 Cb -0.10 -1.72 0.03 0.00 0.10 0.00 0.00 34.13 32.44 7msf s GLU 89 CO 0.03 0.01 -0.17 -1.17 0.02 0.00 0.00 175.26 173.97 7msf s LEU 90 N 0.76 2.22 -0.23 1.80 2.96 -0.18 -4.96 118.68 121.05 7msf s LEU 90 Ca -0.12 -0.73 -0.08 0.00 -0.22 0.00 0.00 54.13 52.98 7msf s LEU 90 Cb -0.16 -1.43 -0.04 0.00 0.50 0.00 0.00 46.19 45.07 7msf s LEU 90 CO 0.02 -0.04 0.09 -0.89 -1.32 0.00 0.00 176.35 174.22 7msf s THR 91 N 1.30 4.67 -0.10 3.68 2.01 -1.26 -0.34 115.64 125.60 7msf s THR 91 Ca 0.03 -0.06 0.01 0.00 0.31 0.00 0.00 61.69 61.98 7msf s THR 91 Cb -0.14 -3.17 0.02 0.00 0.01 0.00 0.00 72.50 69.22 7msf s THR 91 CO -0.11 0.36 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.43 7msf s ILE 92 N 1.25 1.27 0.48 1.82 1.01 0.07 -4.96 121.20 122.13 7msf s ILE 92 Ca 0.05 -0.49 -0.23 0.00 0.00 0.00 0.00 60.65 59.99 7msf s ILE 92 Cb -0.14 -1.20 -0.07 0.00 0.01 0.00 0.00 42.46 41.06 7msf s ILE 92 CO 0.04 0.40 1.22 -2.84 0.00 0.00 0.00 174.94 173.76 7msf s PRO 93 N 1.20 3.62 0.00 2.79 0.02 -1.26 -0.97 135.00 140.39 7msf s PRO 93 Ca -0.03 1.91 0.05 0.00 0.02 0.00 0.00 61.00 62.95 7msf s PRO 93 Cb -0.14 -2.39 0.28 0.00 0.02 0.00 0.00 34.50 32.27 7msf s PRO 93 CO -0.04 -0.71 0.90 0.44 -0.33 0.00 0.00 177.00 177.26 7msf n ILE 94 N -0.58 0.50 0.86 2.83 -5.35 0.15 -1.51 119.36 116.26 7msf n ILE 94 Ca 0.08 0.13 0.12 0.00 -0.27 0.00 0.00 62.75 62.80 7msf n ILE 94 Cb 0.47 -1.04 0.24 0.00 -1.74 0.00 0.00 39.64 37.57 7msf n ILE 94 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 7msf n PHE 95 N -1.15 0.17 -1.98 4.28 3.72 -1.26 -4.89 117.46 116.35 7msf n PHE 95 Ca 0.03 0.05 -0.42 0.00 -0.05 0.00 0.00 57.45 57.06 7msf n PHE 95 Cb 0.03 -0.39 -0.03 0.00 -0.94 0.00 0.00 39.48 38.15 7msf n PHE 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 7msf s ALA 96 N -3.05 3.74 0.71 4.37 0.00 -0.57 -5.01 121.76 121.95 7msf s ALA 96 Ca 0.10 1.32 -0.02 0.00 0.00 0.00 0.00 51.96 53.36 7msf s ALA 96 Cb 0.16 -3.61 0.11 0.00 0.00 0.00 0.00 23.12 19.79 7msf s ALA 96 CO 0.70 -0.76 0.98 0.95 0.00 0.00 0.00 175.76 177.64 7msf s THR 97 N 1.17 2.21 0.30 0.00 -4.23 -1.26 -4.88 115.64 108.95 7msf s THR 97 Ca 0.69 -0.55 -0.01 0.00 -1.18 0.00 0.00 61.69 60.64 7msf s THR 97 Cb -0.42 -2.67 0.23 0.00 1.34 0.00 0.00 72.50 70.98 7msf s THR 97 CO 0.31 0.00 1.93 0.78 -0.54 0.00 0.00 174.62 177.10 7msf h ASN 98 N -0.51 0.88 -0.56 3.99 4.21 -1.99 -0.82 115.58 120.78 7msf h ASN 98 Ca -0.38 -0.06 -0.04 0.00 1.21 0.00 0.00 56.30 57.03 7msf h ASN 98 Cb 1.27 -0.22 -0.02 0.00 -1.12 0.00 0.00 38.32 38.23 7msf h ASN 98 CO 0.43 0.70 0.20 0.28 -1.29 0.00 0.00 177.43 177.75 7msf h SER 99 N 1.00 0.80 -0.98 5.81 0.02 -1.99 1.00 113.55 119.22 7msf h SER 99 Ca 0.26 -0.19 0.02 0.00 -0.84 0.00 0.00 61.79 61.03 7msf h SER 99 Cb -0.00 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 62.28 7msf h SER 99 CO -0.05 0.78 0.65 0.44 -1.14 0.00 0.00 176.83 177.51 7msf h ASP 100 N 0.78 1.11 -0.16 3.07 3.32 -1.69 -1.86 116.42 121.00 7msf h ASP 100 Ca 0.18 -0.02 -0.16 0.00 0.02 0.00 0.00 57.03 57.05 7msf h ASP 100 Cb 0.25 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 7msf h ASP 100 CO -0.01 0.80 -0.47 0.00 -1.72 0.00 0.00 179.24 177.83 7msf h GLU 102 N 0.57 1.00 0.06 0.00 5.08 -0.28 -1.46 114.58 119.56 7msf h GLU 102 Ca 0.03 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 7msf h GLU 102 Cb 1.03 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 30.06 7msf h GLU 102 CO 0.10 0.66 -0.03 1.25 -1.00 0.00 0.00 179.01 179.99 7msf h LEU 103 N 1.03 -0.07 -0.79 1.33 5.85 -1.11 -1.82 115.31 119.73 7msf h LEU 103 Ca 0.33 -0.19 0.14 0.00 0.84 0.00 0.00 57.88 58.99 7msf h LEU 103 Cb 0.03 0.02 -0.09 0.00 0.37 0.00 0.00 40.66 40.99 7msf h LEU 103 CO -0.10 0.15 0.37 0.40 -0.34 0.00 0.00 178.44 178.92 7msf h ILE 104 N -0.29 0.72 -0.18 4.05 2.04 -0.85 0.19 117.51 123.18 7msf h ILE 104 Ca -0.01 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 7msf h ILE 104 Cb 0.26 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 7msf h ILE 104 CO 0.01 0.10 0.08 0.58 0.00 0.00 0.00 178.15 178.93 7msf h VAL 105 N 0.55 1.14 -0.69 1.67 2.07 -1.11 -2.00 116.25 117.88 7msf h VAL 105 Ca 0.42 -0.41 0.10 0.00 0.82 0.00 0.00 66.70 67.63 7msf h VAL 105 Cb 0.59 1.08 -0.07 0.00 -1.52 0.00 0.00 31.29 31.37 7msf h VAL 105 CO -0.36 0.13 0.31 0.11 0.02 0.00 0.00 177.57 177.79 7msf h LYS 106 N 0.16 0.52 -0.62 1.57 1.57 -0.32 0.13 116.57 119.57 7msf h LYS 106 Ca 0.06 -0.03 0.07 0.00 -1.87 0.00 0.00 60.65 58.88 7msf h LYS 106 Cb 0.14 -0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.28 7msf h LYS 106 CO -0.01 0.34 0.31 0.00 -0.57 0.00 0.00 179.45 179.53 7msf h ALA 107 N 1.44 0.82 -0.56 3.86 0.00 -0.60 0.13 119.26 124.34 7msf h ALA 107 Ca 0.34 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.25 7msf h ALA 107 Cb 0.40 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 7msf h ALA 107 CO -0.29 -0.05 0.18 0.52 0.00 0.00 0.00 179.25 179.61 7msf h MET 108 N 0.57 0.88 -0.66 0.00 2.86 -0.41 -0.92 114.93 117.25 7msf h MET 108 Ca 0.29 -0.19 -0.07 0.00 -2.06 0.00 0.00 59.70 57.67 7msf h MET 108 Cb 0.23 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.74 7msf h MET 108 CO -0.21 0.79 0.15 1.96 1.06 0.00 0.00 176.91 180.66 7msf h GLN 109 N 0.79 1.07 -0.51 1.72 4.20 -0.28 -2.91 115.11 119.18 7msf h GLN 109 Ca 0.18 -0.27 -0.08 0.00 0.06 0.00 0.00 58.65 58.55 7msf h GLN 109 Cb 0.28 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.90 7msf h GLN 109 CO -0.01 0.96 0.00 0.78 -0.67 0.00 0.00 178.83 179.90 7msf h GLY 110 N 0.99 0.97 0.51 3.46 0.00 -0.55 -1.05 103.07 107.40 7msf h GLY 110 Ca 0.21 -0.71 0.17 0.00 0.00 0.00 0.00 47.33 46.99 7msf h GLY 110 CO 0.01 0.65 0.55 -2.00 0.00 0.00 0.00 176.54 175.75 7msf h LEU 111 N 0.76 0.44 -2.00 3.11 5.85 -0.98 -2.11 115.31 120.39 7msf h LEU 111 Ca 0.14 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.90 7msf h LEU 111 Cb 0.52 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.50 7msf h LEU 111 CO 0.03 0.21 0.00 0.18 -0.34 0.00 0.00 178.44 178.51 7msf n LEU 112 N -4.51 2.74 -4.69 2.25 4.77 -1.04 -4.32 117.00 112.20 7msf n LEU 112 Ca 0.17 -1.28 -0.40 0.00 -0.03 0.00 0.00 56.01 54.47 7msf n LEU 112 Cb 0.59 -0.10 0.03 0.00 -2.33 0.00 0.00 43.42 41.60 7msf n LEU 112 CO 0.31 0.55 0.84 1.17 -1.33 0.00 0.00 177.39 178.94 7msf n LYS 113 N 1.02 1.70 -1.67 3.23 4.81 -0.42 -4.78 118.16 122.04 7msf n LYS 113 Ca 0.12 0.61 -0.46 0.00 -0.87 0.00 0.00 58.31 57.72 7msf n LYS 113 Cb 0.46 -2.38 -0.04 0.00 0.02 0.00 0.00 35.03 33.09 7msf n LYS 113 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 7msf n ASP 114 N -0.22 2.95 0.00 3.14 9.92 -1.26 -2.32 116.55 128.76 7msf n ASP 114 Ca 0.09 1.11 0.00 0.00 -0.53 0.00 0.00 54.79 55.45 7msf n ASP 114 Cb 0.42 -1.42 0.00 0.00 -0.64 0.00 0.00 41.12 39.48 7msf n ASP 114 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 7msf n GLY 115 N 2.94 3.15 3.81 0.44 0.00 -1.26 -5.07 105.19 109.20 7msf n GLY 115 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 7msf n GLY 115 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 7msf s ASN 116 N 0.03 5.28 0.04 1.61 0.01 -0.98 -4.85 114.94 116.08 7msf s ASN 116 Ca 0.00 1.68 -0.10 0.00 -0.71 0.00 0.00 52.86 53.73 7msf s ASN 116 Cb 0.00 -2.50 -0.03 0.00 0.41 0.00 0.00 41.25 39.13 7msf s ASN 116 CO 0.00 -1.51 1.17 -0.65 -1.51 0.00 0.00 177.10 174.59 7msf h PRO 117 N -0.64 -0.07 -0.11 -0.60 0.11 -1.89 -2.31 132.00 126.49 7msf h PRO 117 Ca -0.44 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.72 7msf h PRO 117 Cb 1.22 0.02 -0.06 0.00 0.11 0.00 0.00 31.00 32.28 7msf h PRO 117 CO 0.56 -0.04 -0.32 0.82 -0.21 0.00 0.00 178.00 178.80 7msf h ILE 118 N -0.07 0.29 -0.84 4.15 5.03 -1.95 -0.41 117.51 123.71 7msf h ILE 118 Ca 0.03 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.76 7msf h ILE 118 Cb 0.16 0.29 -0.04 0.00 -3.03 0.00 0.00 36.82 34.20 7msf h ILE 118 CO -0.23 0.00 0.49 1.55 -0.68 0.00 0.00 178.15 179.28 7msf h PRO 119 N -0.41 1.15 -0.31 2.37 0.13 -1.74 -1.74 132.00 131.46 7msf h PRO 119 Ca 0.09 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 65.11 7msf h PRO 119 Cb 0.55 -0.24 -0.02 0.00 0.13 0.00 0.00 31.00 31.42 7msf h PRO 119 CO -0.34 0.82 0.19 0.77 -0.23 0.00 0.00 178.00 179.22 7msf h SER 120 N 1.17 0.36 -0.06 1.44 0.02 -0.94 -0.28 113.55 115.26 7msf h SER 120 Ca 0.30 -0.03 0.01 0.00 -0.84 0.00 0.00 61.79 61.23 7msf h SER 120 Cb -0.02 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 7msf h SER 120 CO -0.05 0.29 -0.02 0.00 -1.14 0.00 0.00 176.83 175.91 7msf h ALA 121 N 1.09 0.04 0.02 3.77 0.00 -0.72 -2.58 119.26 120.87 7msf h ALA 121 Ca 0.11 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 7msf h ALA 121 Cb -0.01 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.83 7msf h ALA 121 CO -0.02 -0.50 -0.01 0.82 0.00 0.00 0.00 179.25 179.54 7msf h ILE 122 N -0.01 0.99 0.00 0.00 2.04 -1.16 0.25 117.51 119.62 7msf h ILE 122 Ca 0.03 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.88 7msf h ILE 122 Cb 0.05 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 7msf h ILE 122 CO -0.06 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.09 7msf n ALA 123 N -2.10 1.11 -1.45 1.87 0.00 -0.13 -1.98 120.51 117.82 7msf n ALA 123 Ca -0.07 0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.48 7msf n ALA 123 Cb 0.04 -1.11 0.17 0.00 0.00 0.00 0.00 19.45 18.54 7msf n ALA 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 7msf n ALA 124 N -1.58 2.99 -2.19 0.00 0.00 -0.86 -4.95 120.51 113.92 7msf n ALA 124 Ca 0.00 -2.91 -0.13 0.00 0.00 0.00 0.00 53.44 50.41 7msf n ALA 124 Cb 0.04 -0.39 -0.02 0.00 0.00 0.00 0.00 19.45 19.08 7msf n ALA 124 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 7msf n ASN 125 N -1.12 -3.81 -4.69 0.00 3.02 -0.84 -4.91 115.26 102.91 7msf n ASN 125 Ca 0.16 0.22 -0.28 0.00 -0.03 0.00 0.00 54.58 54.65 7msf n ASN 125 Cb 0.69 -3.30 -0.09 0.00 -0.61 0.00 0.00 39.78 36.47 7msf n ASN 125 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 7msf s SER 126 N -2.04 4.09 0.00 6.41 0.01 0.83 -5.03 113.70 117.98 7msf s SER 126 Ca 0.00 -1.34 0.00 0.00 1.31 0.00 0.00 55.95 55.92 7msf s SER 126 Cb 0.00 -0.24 0.00 0.00 0.21 0.00 0.00 66.02 65.99 7msf s SER 126 CO 0.00 -0.57 0.00 0.61 0.41 0.00 0.00 173.24 173.69 7msf n GLY 127 N -1.12 4.76 3.86 3.44 0.00 -1.26 -3.95 105.19 110.92 7msf n GLY 127 Ca -0.06 -1.93 -0.36 0.00 0.00 0.00 0.00 46.02 43.67 7msf n GLY 127 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 7msf s ILE 128 N 1.91 5.11 0.00 -0.61 -1.09 -1.26 -4.76 121.20 120.50 7msf s ILE 128 Ca 0.00 0.56 0.00 0.00 -2.23 0.00 0.00 60.65 58.98 7msf s ILE 128 Cb 0.00 -3.65 0.00 0.00 -1.58 0.00 0.00 42.46 37.23 7msf s ILE 128 CO 0.00 0.42 0.00 0.00 -1.23 0.00 0.00 174.94 174.13