#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fr5 s SER 2 N 0.00 5.41 0.00 0.00 1.04 -1.26 -4.98 113.70 113.91 1fr5 s SER 2 Ca 0.00 0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.47 1fr5 s SER 2 Cb 0.00 -1.01 0.00 0.00 0.10 0.00 0.00 66.02 65.11 1fr5 s SER 2 CO 0.00 -1.04 0.48 -0.46 0.98 0.00 0.00 173.24 173.20 1fr5 n ASN 3 N -2.27 0.78 -3.61 7.02 0.23 -1.26 -4.89 115.26 111.27 1fr5 n ASN 3 Ca 0.06 -1.22 -0.41 0.00 -0.53 0.00 0.00 54.58 52.48 1fr5 n ASN 3 Cb 0.59 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 38.29 1fr5 n ASN 3 CO 0.00 0.00 0.00 0.33 -0.93 0.00 0.00 177.26 176.66 1fr5 n PHE 4 N -0.11 2.67 -3.55 -2.53 7.35 -1.26 -4.98 117.46 115.05 1fr5 n PHE 4 Ca 0.00 -2.79 -0.20 0.00 -0.76 0.00 0.00 57.45 53.69 1fr5 n PHE 4 Cb 0.21 -1.81 -0.03 0.00 0.35 0.00 0.00 39.48 38.20 1fr5 n PHE 4 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 1fr5 s GLU 5 N -0.97 2.59 0.68 -4.13 2.02 -1.26 -4.78 118.70 112.84 1fr5 s GLU 5 Ca 0.49 -1.47 -0.12 0.00 0.02 0.00 0.00 54.97 53.89 1fr5 s GLU 5 Cb 0.16 -2.43 0.00 0.00 0.10 0.00 0.00 34.13 31.96 1fr5 s GLU 5 CO -0.06 -0.16 1.06 -1.83 0.02 0.00 0.00 175.26 174.29 1fr5 s GLU 6 N -4.13 2.98 0.12 1.61 -1.05 -1.26 -4.63 118.70 112.34 1fr5 s GLU 6 Ca 0.48 1.00 -0.24 0.00 -0.15 0.00 0.00 54.97 56.06 1fr5 s GLU 6 Cb -0.04 -1.99 0.07 0.00 -0.44 0.00 0.00 34.13 31.73 1fr5 s GLU 6 CO 0.28 -1.07 0.64 -0.59 0.95 0.00 0.00 175.26 175.48 1fr5 s PHE 7 N -2.94 -0.52 -0.20 4.83 -0.71 -0.20 -4.99 117.98 113.24 1fr5 s PHE 7 Ca 0.59 0.37 -0.26 0.00 -1.04 0.00 0.00 56.93 56.59 1fr5 s PHE 7 Cb -0.14 0.55 -0.01 0.00 -1.21 0.00 0.00 43.02 42.21 1fr5 s PHE 7 CO 0.52 -0.79 0.88 0.54 -1.34 0.00 0.00 175.22 175.03 1fr5 s VAL 8 N -3.49 4.82 -0.21 -2.49 0.11 -1.26 -0.54 120.40 117.33 1fr5 s VAL 8 Ca 0.01 1.72 0.22 0.00 -2.93 0.00 0.00 61.98 60.99 1fr5 s VAL 8 Cb -0.01 -4.18 -0.04 0.00 -1.53 0.00 0.00 36.38 30.63 1fr5 s VAL 8 CO -0.11 -0.05 0.99 -0.11 -3.33 0.00 0.00 175.10 172.48 1fr5 n LEU 9 N 5.71 0.82 -3.66 2.54 7.94 -0.10 -4.67 117.00 125.58 1fr5 n LEU 9 Ca 0.07 0.33 -0.30 0.00 -1.11 0.00 0.00 56.01 55.00 1fr5 n LEU 9 Cb 0.48 -0.03 -0.14 0.00 0.53 0.00 0.00 43.42 44.25 1fr5 n LEU 9 CO 0.49 -0.13 -0.30 -0.69 -1.11 0.00 0.00 177.39 175.65 1fr5 s VAL 10 N -3.29 0.84 -0.43 1.96 1.01 -0.85 -4.98 120.40 114.66 1fr5 s VAL 10 Ca -0.01 -1.77 -0.28 0.00 0.00 0.00 0.00 61.98 59.91 1fr5 s VAL 10 Cb 0.10 -1.62 0.00 0.00 0.00 0.00 0.00 36.38 34.86 1fr5 s VAL 10 CO 0.80 -0.80 1.53 -0.62 0.00 0.00 0.00 175.10 176.01 1fr5 s ASP 11 N 1.16 6.13 -0.24 3.32 2.15 -1.26 -2.55 116.67 125.38 1fr5 s ASP 11 Ca 0.14 0.82 0.12 0.00 0.43 0.00 0.00 52.55 54.06 1fr5 s ASP 11 Cb -0.20 -2.54 0.48 0.00 -0.30 0.00 0.00 42.92 40.36 1fr5 s ASP 11 CO -0.13 -1.61 1.40 0.59 -0.17 0.00 0.00 175.17 175.25 1fr5 n ASN 12 N 9.55 2.80 0.00 -0.34 3.02 -1.26 -4.99 115.26 124.03 1fr5 n ASN 12 Ca 0.18 -3.50 0.00 0.00 -0.03 0.00 0.00 54.58 51.22 1fr5 n ASN 12 Cb 0.48 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 39.07 1fr5 n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1fr5 n GLY 13 N -0.99 2.44 0.00 7.41 0.00 -1.26 -3.81 105.19 108.98 1fr5 n GLY 13 Ca 0.27 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1fr5 n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fr5 n GLY 14 N 0.00 0.01 3.36 -0.02 0.00 -1.26 -5.06 105.19 102.21 1fr5 n GLY 14 Ca 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.57 1fr5 n GLY 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fr5 s THR 15 N 0.00 5.71 0.00 2.61 -4.23 -1.25 -4.49 115.64 113.99 1fr5 s THR 15 Ca 0.00 -2.93 0.00 0.00 -1.18 0.00 0.00 61.69 57.58 1fr5 s THR 15 Cb 0.00 -4.60 0.00 0.00 1.34 0.00 0.00 72.50 69.24 1fr5 s THR 15 CO 0.00 -1.20 0.00 0.61 -0.54 0.00 0.00 174.62 173.49 1fr5 n GLY 16 N 3.41 1.75 3.76 3.99 0.00 -1.26 -4.93 105.19 111.91 1fr5 n GLY 16 Ca 0.22 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 1fr5 n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1fr5 s ASP 17 N -2.11 5.84 -0.47 1.61 1.01 -1.26 -4.79 116.67 116.49 1fr5 s ASP 17 Ca 0.00 2.64 -0.18 0.00 0.71 0.00 0.00 52.55 55.72 1fr5 s ASP 17 Cb 0.00 -2.63 0.05 0.00 1.01 0.00 0.00 42.92 41.35 1fr5 s ASP 17 CO 0.00 -1.17 0.53 -0.69 0.21 0.00 0.00 175.17 174.05 1fr5 s VAL 18 N -1.34 5.00 0.16 -1.27 1.01 -1.06 -4.97 120.40 117.92 1fr5 s VAL 18 Ca 0.64 -0.54 -0.08 0.00 0.00 0.00 0.00 61.98 62.01 1fr5 s VAL 18 Cb -0.37 -4.19 -0.06 0.00 0.00 0.00 0.00 36.38 31.75 1fr5 s VAL 18 CO 0.46 -0.65 0.44 -0.75 0.00 0.00 0.00 175.10 174.60 1fr5 s LYS 19 N 2.32 3.72 -0.03 2.72 2.20 -1.26 -0.92 119.74 128.49 1fr5 s LYS 19 Ca 0.13 0.11 0.03 0.00 -0.36 0.00 0.00 55.97 55.87 1fr5 s LYS 19 Cb -0.19 -2.82 -0.00 0.00 -1.51 0.00 0.00 37.83 33.31 1fr5 s LYS 19 CO 0.12 0.44 -0.11 0.08 -0.36 0.00 0.00 175.35 175.51 1fr5 s VAL 20 N -1.65 0.94 0.17 4.02 1.01 0.30 -4.44 120.40 120.75 1fr5 s VAL 20 Ca 0.41 -0.46 0.08 0.00 0.00 0.00 0.00 61.98 62.02 1fr5 s VAL 20 Cb -0.12 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 1fr5 s VAL 20 CO 0.22 0.28 -0.18 0.00 0.00 0.00 0.00 175.10 175.42 1fr5 s ALA 21 N 0.07 2.02 0.14 5.51 0.00 0.16 -1.04 121.76 128.62 1fr5 s ALA 21 Ca -0.02 -1.52 -0.34 0.00 0.00 0.00 0.00 51.96 50.08 1fr5 s ALA 21 Cb -0.08 -0.17 -0.14 0.00 0.00 0.00 0.00 23.12 22.72 1fr5 s ALA 21 CO 0.01 0.21 1.56 -2.30 0.00 0.00 0.00 175.76 175.24 1fr5 n PRO 22 N 0.19 2.02 0.00 0.00 -0.02 -1.26 0.05 135.00 135.98 1fr5 n PRO 22 Ca -0.12 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1fr5 n PRO 22 Cb 0.57 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 1fr5 n PRO 22 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1fr5 n SER 23 N 3.48 3.44 -3.52 2.55 3.41 0.14 -4.82 113.62 118.30 1fr5 n SER 23 Ca 0.17 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.61 1fr5 n SER 23 Cb 0.27 0.15 -0.06 0.00 -0.26 0.00 0.00 64.21 64.32 1fr5 n SER 23 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1fr5 s ASN 24 N -3.32 -0.65 -0.03 4.04 2.47 -1.16 -5.01 114.94 111.28 1fr5 s ASN 24 Ca 0.00 0.71 0.05 0.00 0.42 0.00 0.00 52.86 54.03 1fr5 s ASN 24 Cb 0.00 0.54 0.07 0.00 -1.45 0.00 0.00 41.25 40.41 1fr5 s ASN 24 CO 0.00 -0.61 1.04 0.33 -3.72 0.00 0.00 177.10 174.14 1fr5 n PHE 25 N 0.89 0.00 -1.95 0.43 7.35 -1.26 0.11 117.46 123.04 1fr5 n PHE 25 Ca -0.19 -0.25 -0.37 0.00 -0.76 0.00 0.00 57.45 55.88 1fr5 n PHE 25 Cb 0.57 -0.07 0.03 0.00 0.35 0.00 0.00 39.48 40.36 1fr5 n PHE 25 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1fr5 s ALA 26 N -0.70 2.72 -2.18 3.13 0.00 -1.26 -2.55 121.76 120.93 1fr5 s ALA 26 Ca 0.08 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.18 1fr5 s ALA 26 Cb 0.07 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.70 1fr5 s ALA 26 CO 0.01 -1.18 0.00 0.09 0.00 0.00 0.00 175.76 174.68 1fr5 n ASN 27 N -1.17 -5.50 -1.69 0.00 3.02 -1.26 -2.30 115.26 106.35 1fr5 n ASN 27 Ca 0.11 0.49 -0.14 0.00 -0.03 0.00 0.00 54.58 55.01 1fr5 n ASN 27 Cb 0.47 -4.81 -0.00 0.00 -0.61 0.00 0.00 39.78 34.84 1fr5 n ASN 27 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1fr5 n GLY 28 N -0.46 -0.20 2.99 7.41 0.00 -1.06 -4.99 105.19 108.90 1fr5 n GLY 28 Ca -0.21 -0.27 -0.31 0.00 0.00 0.00 0.00 46.02 45.23 1fr5 n GLY 28 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1fr5 s VAL 29 N -2.75 1.73 0.22 1.61 -7.23 -0.97 -4.64 120.40 108.36 1fr5 s VAL 29 Ca 0.04 -1.27 -0.30 0.00 -1.81 0.00 0.00 61.98 58.64 1fr5 s VAL 29 Cb -0.02 -1.90 -0.09 0.00 0.56 0.00 0.00 36.38 34.93 1fr5 s VAL 29 CO 0.05 -0.01 1.35 0.00 -0.31 0.00 0.00 175.10 176.18 1fr5 s ALA 30 N 1.32 3.56 -0.01 1.32 0.00 -0.29 -4.02 121.76 123.63 1fr5 s ALA 30 Ca -0.05 1.18 0.04 0.00 0.00 0.00 0.00 51.96 53.13 1fr5 s ALA 30 Cb -0.18 -3.50 -0.01 0.00 0.00 0.00 0.00 23.12 19.42 1fr5 s ALA 30 CO -0.06 -0.60 -0.13 -2.00 0.00 0.00 0.00 175.76 172.96 1fr5 s GLU 31 N -0.26 1.13 0.02 0.00 2.12 0.12 -1.20 118.70 120.63 1fr5 s GLU 31 Ca 0.57 -0.48 0.03 0.00 0.36 0.00 0.00 54.97 55.46 1fr5 s GLU 31 Cb -0.38 -1.08 -0.02 0.00 0.26 0.00 0.00 34.13 32.92 1fr5 s GLU 31 CO 0.40 0.27 -0.11 -1.58 -0.54 0.00 0.00 175.26 173.71 1fr5 s TRP 32 N -0.25 0.94 0.35 5.30 0.51 -0.14 -0.68 118.94 124.96 1fr5 s TRP 32 Ca 0.04 -0.29 0.07 0.00 -2.12 0.00 0.00 56.10 53.80 1fr5 s TRP 32 Cb -0.06 -0.58 -0.03 0.00 -0.81 0.00 0.00 33.47 32.00 1fr5 s TRP 32 CO -0.00 -0.01 0.25 0.96 -0.51 0.00 0.00 176.95 177.64 1fr5 s ILE 33 N -0.65 0.11 0.43 2.03 -0.00 0.11 -1.24 121.20 121.99 1fr5 s ILE 33 Ca 0.01 -2.00 0.03 0.00 -0.00 0.00 0.00 60.65 58.69 1fr5 s ILE 33 Cb -0.06 -2.46 0.00 0.00 -0.00 0.00 0.00 42.46 39.94 1fr5 s ILE 33 CO 0.00 0.00 0.62 -0.94 -0.00 0.00 0.00 174.94 174.62 1fr5 s SER 34 N -3.42 5.75 0.00 4.36 1.04 -1.10 0.37 113.70 120.69 1fr5 s SER 34 Ca 0.37 0.02 0.05 0.00 0.48 0.00 0.00 55.95 56.86 1fr5 s SER 34 Cb 0.02 -1.23 0.27 0.00 0.10 0.00 0.00 66.02 65.18 1fr5 s SER 34 CO 0.25 -0.71 0.87 -1.20 0.98 0.00 0.00 173.24 173.42 1fr5 n SER 35 N -1.97 0.00 -2.85 7.02 7.64 -1.26 -4.76 113.62 117.44 1fr5 n SER 35 Ca 0.03 -1.17 -0.11 0.00 1.01 0.00 0.00 58.87 58.62 1fr5 n SER 35 Cb 0.58 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.86 1fr5 n SER 35 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1fr5 n ASN 36 N -0.61 0.18 -4.80 6.43 4.13 -1.26 -5.04 115.26 114.29 1fr5 n ASN 36 Ca 0.03 -1.27 -0.33 0.00 1.68 0.00 0.00 54.58 54.69 1fr5 n ASN 36 Cb 0.02 -0.37 -0.01 0.00 -1.54 0.00 0.00 39.78 37.88 1fr5 n ASN 36 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1fr5 s SER 37 N -2.89 6.00 0.39 6.41 1.04 -1.26 -4.79 113.70 118.60 1fr5 s SER 37 Ca 0.30 1.84 0.18 0.00 0.48 0.00 0.00 55.95 58.75 1fr5 s SER 37 Cb -0.01 -2.54 1.09 0.00 0.10 0.00 0.00 66.02 64.66 1fr5 s SER 37 CO 0.21 -1.02 1.77 -0.09 0.98 0.00 0.00 173.24 175.09 1fr5 h ARG 38 N 0.82 0.39 0.00 4.02 9.65 -1.96 0.18 114.38 127.48 1fr5 h ARG 38 Ca -0.48 -0.02 -0.12 0.00 -1.10 0.00 0.00 59.98 58.26 1fr5 h ARG 38 Cb 1.22 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 29.69 1fr5 h ARG 38 CO 0.58 0.26 -0.59 0.66 2.80 0.00 0.00 179.97 183.68 1fr5 h SER 39 N 0.41 0.00 -0.60 -3.80 4.64 -1.91 -3.12 113.55 109.17 1fr5 h SER 39 Ca 0.60 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.92 1fr5 h SER 39 Cb 1.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.58 1fr5 h SER 39 CO -0.31 0.59 0.00 0.00 -0.87 0.00 0.00 176.83 176.24 1fr5 n GLN 40 N -3.80 2.77 -3.06 4.77 6.02 0.47 -3.93 117.38 120.62 1fr5 n GLN 40 Ca -0.01 -2.46 -0.31 0.00 -0.01 0.00 0.00 57.00 54.21 1fr5 n GLN 40 Cb 0.60 -1.47 -0.05 0.00 1.02 0.00 0.00 30.24 30.34 1fr5 n GLN 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1fr5 s ALA 41 N -1.01 3.37 0.43 -1.58 0.00 -0.29 -4.80 121.76 117.89 1fr5 s ALA 41 Ca 0.40 -0.11 -0.21 0.00 0.00 0.00 0.00 51.96 52.04 1fr5 s ALA 41 Cb 0.21 -2.69 -0.11 0.00 0.00 0.00 0.00 23.12 20.53 1fr5 s ALA 41 CO 0.27 0.21 0.96 0.71 0.00 0.00 0.00 175.76 177.91 1fr5 s TYR 42 N -2.13 3.28 0.01 0.00 1.51 -1.26 -4.60 117.35 114.15 1fr5 s TYR 42 Ca 0.52 1.61 0.01 0.00 -1.01 0.00 0.00 57.07 58.20 1fr5 s TYR 42 Cb -0.10 -2.88 -0.01 0.00 -0.11 0.00 0.00 41.96 38.86 1fr5 s TYR 42 CO 0.24 -0.20 -0.03 0.21 -1.11 0.00 0.00 175.55 174.67 1fr5 s LYS 43 N -3.14 0.22 -0.04 -0.62 2.20 -0.96 -2.72 119.74 114.68 1fr5 s LYS 43 Ca 0.62 -0.25 -0.01 0.00 -0.36 0.00 0.00 55.97 55.97 1fr5 s LYS 43 Cb -0.10 -0.10 0.03 0.00 -1.51 0.00 0.00 37.83 36.14 1fr5 s LYS 43 CO 0.14 0.02 0.03 0.08 -0.36 0.00 0.00 175.35 175.26 1fr5 s VAL 44 N -0.48 0.07 -0.00 4.02 1.01 -0.38 -0.32 120.40 124.31 1fr5 s VAL 44 Ca -0.04 0.24 0.07 0.00 0.00 0.00 0.00 61.98 62.24 1fr5 s VAL 44 Cb -0.04 -0.24 -0.02 0.00 0.00 0.00 0.00 36.38 36.08 1fr5 s VAL 44 CO -0.00 0.17 -0.21 0.42 0.00 0.00 0.00 175.10 175.48 1fr5 s THR 45 N 1.61 1.67 0.03 3.92 -4.23 0.00 -0.97 115.64 117.67 1fr5 s THR 45 Ca -0.02 -0.98 0.02 0.00 -1.18 0.00 0.00 61.69 59.54 1fr5 s THR 45 Cb -0.13 -1.40 -0.02 0.00 1.34 0.00 0.00 72.50 72.29 1fr5 s THR 45 CO -0.03 0.41 -0.07 0.00 -0.54 0.00 0.00 174.62 174.39 1fr5 s SER 47 N -1.15 -0.57 -0.01 0.00 1.04 0.15 -1.14 113.70 112.03 1fr5 s SER 47 Ca -0.06 0.46 0.01 0.00 0.48 0.00 0.00 55.95 56.84 1fr5 s SER 47 Cb -0.08 0.52 -0.00 0.00 0.10 0.00 0.00 66.02 66.56 1fr5 s SER 47 CO 0.00 -0.67 -0.04 0.68 0.98 0.00 0.00 173.24 174.20 1fr5 s VAL 48 N -1.79 0.33 0.04 5.02 -7.23 -1.25 0.30 120.40 115.82 1fr5 s VAL 48 Ca -0.08 -0.16 -0.04 0.00 -1.81 0.00 0.00 61.98 59.88 1fr5 s VAL 48 Cb -0.01 -0.29 -0.02 0.00 0.56 0.00 0.00 36.38 36.63 1fr5 s VAL 48 CO 0.04 0.10 0.06 0.00 -0.31 0.00 0.00 175.10 174.99 1fr5 s ARG 49 N -0.02 0.59 -0.93 4.82 1.70 -1.09 -4.96 118.95 119.07 1fr5 s ARG 49 Ca 0.01 -0.87 -0.17 0.00 -0.47 0.00 0.00 55.73 54.23 1fr5 s ARG 49 Cb -0.03 0.22 0.17 0.00 -0.57 0.00 0.00 34.95 34.74 1fr5 s ARG 49 CO -0.00 -0.14 1.04 -1.14 -1.08 0.00 0.00 175.30 173.98 1fr5 s GLN 50 N -2.93 3.66 0.00 3.89 0.74 -1.26 -1.03 119.66 122.73 1fr5 s GLN 50 Ca -0.02 -2.09 0.00 0.00 0.05 0.00 0.00 55.36 53.29 1fr5 s GLN 50 Cb 0.01 -4.77 0.00 0.00 1.10 0.00 0.00 33.01 29.35 1fr5 s GLN 50 CO -0.06 -1.61 0.23 -1.13 -0.55 0.00 0.00 175.29 172.17 1fr5 n SER 51 N 5.55 0.00 -4.75 6.67 3.41 -1.15 -4.79 113.62 118.56 1fr5 n SER 51 Ca 0.22 0.23 -0.29 0.00 -0.26 0.00 0.00 58.87 58.77 1fr5 n SER 51 Cb 0.48 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.54 1fr5 n SER 51 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1fr5 s SER 52 N -2.07 4.09 0.00 4.04 0.15 -1.25 -4.91 113.70 113.75 1fr5 s SER 52 Ca 0.00 0.73 0.20 0.00 0.70 0.00 0.00 55.95 57.58 1fr5 s SER 52 Cb 0.00 -1.15 0.88 0.00 -1.71 0.00 0.00 66.02 64.03 1fr5 s SER 52 CO 0.00 -2.16 1.65 0.00 1.20 0.00 0.00 173.24 173.93 1fr5 n ALA 53 N -3.48 1.94 0.65 5.45 0.00 -1.26 -2.91 120.51 120.90 1fr5 n ALA 53 Ca 0.09 -0.07 0.07 0.00 0.00 0.00 0.00 53.44 53.53 1fr5 n ALA 53 Cb 0.60 -1.33 -0.02 0.00 0.00 0.00 0.00 19.45 18.70 1fr5 n ALA 53 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1fr5 n ASN 54 N -1.49 1.31 -4.22 0.00 3.02 -1.26 -4.94 115.26 107.68 1fr5 n ASN 54 Ca 0.05 -1.16 -0.13 0.00 -0.03 0.00 0.00 54.58 53.32 1fr5 n ASN 54 Cb 0.24 0.59 -0.10 0.00 -0.61 0.00 0.00 39.78 39.90 1fr5 n ASN 54 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1fr5 s ASN 55 N -1.88 0.56 0.05 6.41 -0.87 -1.14 -0.63 114.94 117.43 1fr5 s ASN 55 Ca 0.10 -1.31 0.04 0.00 -1.57 0.00 0.00 52.86 50.13 1fr5 s ASN 55 Cb 0.11 0.28 -0.02 0.00 -0.02 0.00 0.00 41.25 41.60 1fr5 s ASN 55 CO 0.41 -0.75 -0.13 -0.13 -2.57 0.00 0.00 177.10 173.94 1fr5 s ARG 56 N -4.07 0.81 -0.21 -0.60 0.52 -0.97 -2.93 118.95 111.50 1fr5 s ARG 56 Ca 0.33 -0.78 0.01 0.00 -0.52 0.00 0.00 55.73 54.77 1fr5 s ARG 56 Cb 0.07 -0.78 0.04 0.00 0.52 0.00 0.00 34.95 34.81 1fr5 s ARG 56 CO 0.09 0.18 -0.13 0.15 0.02 0.00 0.00 175.30 175.61 1fr5 s LYS 57 N -1.31 2.36 0.05 3.54 1.02 -0.20 -1.33 119.74 123.87 1fr5 s LYS 57 Ca -0.01 -0.95 -0.21 0.00 0.02 0.00 0.00 55.97 54.81 1fr5 s LYS 57 Cb -0.08 -2.56 -0.06 0.00 -0.52 0.00 0.00 37.83 34.60 1fr5 s LYS 57 CO 0.01 -0.39 0.63 0.71 -0.92 0.00 0.00 175.35 175.39 1fr5 s TYR 58 N 1.30 3.75 -0.19 3.18 1.51 -0.26 -2.65 117.35 123.98 1fr5 s TYR 58 Ca -0.01 1.31 -0.01 0.00 -1.01 0.00 0.00 57.07 57.35 1fr5 s TYR 58 Cb -0.16 -2.62 0.05 0.00 -0.11 0.00 0.00 41.96 39.12 1fr5 s TYR 58 CO -0.09 0.43 -0.03 0.99 -1.11 0.00 0.00 175.55 175.74 1fr5 s THR 59 N -0.55 1.08 0.05 -0.71 2.01 0.15 -0.18 115.64 117.48 1fr5 s THR 59 Ca 0.32 -0.77 0.09 0.00 0.31 0.00 0.00 61.69 61.64 1fr5 s THR 59 Cb -0.19 -1.36 -0.03 0.00 0.01 0.00 0.00 72.50 70.93 1fr5 s THR 59 CO 0.20 -0.01 -0.25 0.68 -0.69 0.00 0.00 174.62 174.54 1fr5 s VAL 60 N 1.62 2.04 -0.02 3.82 -7.23 -0.55 -0.68 120.40 119.41 1fr5 s VAL 60 Ca -0.01 -1.36 0.01 0.00 -1.81 0.00 0.00 61.98 58.80 1fr5 s VAL 60 Cb -0.17 -1.75 0.02 0.00 0.56 0.00 0.00 36.38 35.04 1fr5 s VAL 60 CO -0.07 0.32 -0.01 -0.54 -0.31 0.00 0.00 175.10 174.49 1fr5 s LYS 61 N -1.25 0.24 -0.09 4.82 1.02 0.08 -0.92 119.74 123.64 1fr5 s LYS 61 Ca 0.11 0.01 0.03 0.00 0.02 0.00 0.00 55.97 56.15 1fr5 s LYS 61 Cb -0.10 -0.34 0.01 0.00 -0.52 0.00 0.00 37.83 36.87 1fr5 s LYS 61 CO 0.02 -0.06 -0.19 0.08 -0.92 0.00 0.00 175.35 174.28 1fr5 s VAL 62 N 0.57 1.71 -0.23 3.17 1.01 -0.61 -0.82 120.40 125.20 1fr5 s VAL 62 Ca -0.05 -0.81 -0.05 0.00 0.00 0.00 0.00 61.98 61.06 1fr5 s VAL 62 Cb -0.08 -1.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.78 1fr5 s VAL 62 CO -0.01 0.48 -0.01 -1.61 0.00 0.00 0.00 175.10 173.96 1fr5 s GLU 63 N 0.50 3.47 -0.19 2.72 2.02 0.56 -0.77 118.70 127.00 1fr5 s GLU 63 Ca -0.17 -0.58 -0.04 0.00 0.02 0.00 0.00 54.97 54.21 1fr5 s GLU 63 Cb -0.17 -3.11 -0.02 0.00 0.10 0.00 0.00 34.13 30.92 1fr5 s GLU 63 CO 0.06 -0.19 -0.02 0.08 0.02 0.00 0.00 175.26 175.21 1fr5 s VAL 64 N 1.52 3.80 0.14 2.63 1.01 -0.10 -2.25 120.40 127.15 1fr5 s VAL 64 Ca 0.06 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 61.70 1fr5 s VAL 64 Cb -0.14 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 1fr5 s VAL 64 CO -0.01 0.45 0.19 -2.16 0.00 0.00 0.00 175.10 173.57 1fr5 s PRO 65 N 0.88 3.13 -0.41 2.72 0.04 -1.26 -0.03 135.00 140.06 1fr5 s PRO 65 Ca 0.00 -0.73 -0.03 0.00 0.04 0.00 0.00 61.00 60.28 1fr5 s PRO 65 Cb -0.14 -2.80 0.11 0.00 0.04 0.00 0.00 34.50 31.71 1fr5 s PRO 65 CO 0.02 0.51 0.21 0.21 0.04 0.00 0.00 177.00 177.99 1fr5 s LYS 66 N -3.05 2.06 -0.23 4.56 2.47 -1.01 -4.99 119.74 119.55 1fr5 s LYS 66 Ca 0.32 -1.79 -0.36 0.00 -1.56 0.00 0.00 55.97 52.59 1fr5 s LYS 66 Cb -0.11 -3.60 -0.12 0.00 -1.46 0.00 0.00 37.83 32.54 1fr5 s LYS 66 CO 0.25 -1.06 1.98 1.33 0.16 0.00 0.00 175.35 178.01 1fr5 n VAL 67 N 4.62 0.37 -2.35 4.02 0.24 -1.26 -1.82 118.33 122.16 1fr5 n VAL 67 Ca -0.03 -0.17 -0.43 0.00 -2.04 0.00 0.00 64.34 61.68 1fr5 n VAL 67 Cb 0.41 -1.69 -0.02 0.00 -1.47 0.00 0.00 33.84 31.07 1fr5 n VAL 67 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1fr5 s ALA 68 N 5.32 3.63 -0.14 2.33 0.00 -0.91 -4.83 121.76 127.16 1fr5 s ALA 68 Ca 1.00 0.57 -0.20 0.00 0.00 0.00 0.00 51.96 53.34 1fr5 s ALA 68 Cb -0.82 -3.63 -0.04 0.00 0.00 0.00 0.00 23.12 18.64 1fr5 s ALA 68 CO 0.53 -1.15 0.56 0.99 0.00 0.00 0.00 175.76 176.69 1fr5 s THR 69 N 3.39 5.11 0.00 0.00 2.01 -1.26 -4.64 115.64 120.25 1fr5 s THR 69 Ca 0.58 1.09 0.00 0.00 0.31 0.00 0.00 61.69 63.68 1fr5 s THR 69 Cb -0.24 -3.89 0.00 0.00 0.01 0.00 0.00 72.50 68.38 1fr5 s THR 69 CO 0.18 0.24 0.00 0.61 -0.69 0.00 0.00 174.62 174.96 1fr5 n GLY 74 N 3.46 -0.18 0.00 4.40 0.00 -1.26 -5.02 105.19 106.59 1fr5 n GLY 74 Ca -0.04 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.70 1fr5 n GLY 74 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1fr5 n VAL 75 N -0.67 0.00 0.00 1.61 0.31 -1.26 -5.05 118.33 113.27 1fr5 n VAL 75 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1fr5 n VAL 75 Cb 0.27 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.20 1fr5 n VAL 75 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1fr5 n GLU 76 N -0.05 0.00 -2.12 5.55 -0.58 -1.26 -4.93 120.64 117.25 1fr5 n GLU 76 Ca 0.00 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.31 1fr5 n GLU 76 Cb 0.00 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 30.84 1fr5 n GLU 76 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1fr5 s LEU 77 N 0.00 4.18 0.35 -4.62 2.96 -1.26 -4.95 118.68 115.34 1fr5 s LEU 77 Ca 0.00 1.96 -0.29 0.00 -0.22 0.00 0.00 54.13 55.59 1fr5 s LEU 77 Cb 0.00 -3.53 -0.11 0.00 0.50 0.00 0.00 46.19 43.04 1fr5 s LEU 77 CO 0.00 -0.98 1.48 -2.65 -1.32 0.00 0.00 176.35 172.88 1fr5 n PRO 78 N 7.15 2.57 -3.60 0.98 -0.02 -1.26 -4.96 135.00 135.86 1fr5 n PRO 78 Ca 0.17 0.90 -0.00 0.00 -2.02 0.00 0.00 63.50 62.55 1fr5 n PRO 78 Cb 0.44 -2.62 -0.01 0.00 -0.02 0.00 0.00 33.50 31.29 1fr5 n PRO 78 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1fr5 s VAL 79 N -0.83 0.00 -0.11 -1.45 0.11 -1.26 -4.82 120.40 112.04 1fr5 s VAL 79 Ca 0.56 -0.05 -0.06 0.00 -2.93 0.00 0.00 61.98 59.51 1fr5 s VAL 79 Cb -0.50 -1.49 -0.04 0.00 -1.53 0.00 0.00 36.38 32.82 1fr5 s VAL 79 CO 0.60 0.00 0.10 0.00 -3.33 0.00 0.00 175.10 172.46 1fr5 s ALA 80 N -2.18 3.69 0.08 1.54 0.00 -1.25 -2.14 121.76 121.49 1fr5 s ALA 80 Ca 0.13 -0.69 -0.17 0.00 0.00 0.00 0.00 51.96 51.23 1fr5 s ALA 80 Cb 0.03 -1.83 -0.11 0.00 0.00 0.00 0.00 23.12 21.21 1fr5 s ALA 80 CO -0.04 0.59 1.38 0.00 0.00 0.00 0.00 175.76 177.69 1fr5 h ALA 81 N 5.11 0.34 -2.94 0.00 0.00 -1.68 -3.46 119.26 116.62 1fr5 h ALA 81 Ca -0.53 -0.38 0.04 0.00 0.00 0.00 0.00 54.91 54.03 1fr5 h ALA 81 Cb 1.22 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.85 1fr5 h ALA 81 CO 0.58 0.32 0.24 1.67 0.00 0.00 0.00 179.25 182.06 1fr5 s TRP 82 N -4.30 -0.35 0.01 0.00 1.48 -1.26 -5.06 118.94 109.46 1fr5 s TRP 82 Ca -0.13 0.02 0.04 0.00 -1.06 0.00 0.00 56.10 54.98 1fr5 s TRP 82 Cb 0.07 0.63 -0.01 0.00 -1.16 0.00 0.00 33.47 33.00 1fr5 s TRP 82 CO 0.80 -1.02 -0.14 1.03 -4.06 0.00 0.00 176.95 173.57 1fr5 s ARG 83 N -3.78 1.03 -0.27 3.25 0.52 -1.26 -2.41 118.95 116.02 1fr5 s ARG 83 Ca 0.06 -0.57 -0.13 0.00 -0.52 0.00 0.00 55.73 54.57 1fr5 s ARG 83 Cb -0.03 -1.01 -0.04 0.00 0.52 0.00 0.00 34.95 34.39 1fr5 s ARG 83 CO -0.03 0.27 0.30 0.45 0.02 0.00 0.00 175.30 176.31 1fr5 s SER 84 N -0.58 6.17 -0.10 0.23 0.15 0.95 -4.93 113.70 115.59 1fr5 s SER 84 Ca 0.04 0.18 -0.11 0.00 0.70 0.00 0.00 55.95 56.76 1fr5 s SER 84 Cb -0.06 -2.18 -0.05 0.00 -1.71 0.00 0.00 66.02 62.03 1fr5 s SER 84 CO 0.00 -0.13 0.25 -0.31 1.20 0.00 0.00 173.24 174.25 1fr5 s TYR 85 N 1.93 3.60 -0.04 3.44 1.51 -1.26 -0.92 117.35 125.60 1fr5 s TYR 85 Ca 0.12 0.67 0.06 0.00 -1.01 0.00 0.00 57.07 56.91 1fr5 s TYR 85 Cb -0.16 -2.13 -0.01 0.00 -0.11 0.00 0.00 41.96 39.55 1fr5 s TYR 85 CO 0.10 0.59 -0.24 1.41 -1.11 0.00 0.00 175.55 176.30 1fr5 s MET 86 N -0.67 2.26 -0.15 -0.62 1.75 0.05 -4.99 119.30 116.93 1fr5 s MET 86 Ca 0.17 -0.86 -0.04 0.00 -1.25 0.00 0.00 55.69 53.71 1fr5 s MET 86 Cb -0.13 -2.01 0.08 0.00 2.84 0.00 0.00 34.83 35.60 1fr5 s MET 86 CO 0.06 0.42 0.24 1.21 -0.65 0.00 0.00 175.02 176.31 1fr5 s ASN 87 N -0.30 0.72 0.02 1.11 3.84 -1.26 -1.58 114.94 117.49 1fr5 s ASN 87 Ca 0.01 0.28 0.05 0.00 0.21 0.00 0.00 52.86 53.42 1fr5 s ASN 87 Cb -0.12 0.57 -0.02 0.00 -0.55 0.00 0.00 41.25 41.13 1fr5 s ASN 87 CO 0.02 -0.27 -0.15 -0.32 -2.79 0.00 0.00 177.10 173.59 1fr5 s MET 88 N 2.38 1.10 -0.22 0.43 -2.45 -0.10 -5.02 119.30 115.42 1fr5 s MET 88 Ca 0.04 -0.68 0.01 0.00 -1.25 0.00 0.00 55.69 53.82 1fr5 s MET 88 Cb -0.13 -1.11 0.05 0.00 1.25 0.00 0.00 34.83 34.89 1fr5 s MET 88 CO -0.10 0.29 -0.10 -2.00 1.05 0.00 0.00 175.02 174.16 1fr5 s GLU 89 N -0.79 2.09 -0.36 4.11 2.12 -1.26 -1.49 118.70 123.13 1fr5 s GLU 89 Ca 0.04 -1.02 -0.09 0.00 0.36 0.00 0.00 54.97 54.27 1fr5 s GLU 89 Cb -0.07 -2.60 0.03 0.00 0.26 0.00 0.00 34.13 31.75 1fr5 s GLU 89 CO 0.01 -0.48 0.16 -1.17 -0.54 0.00 0.00 175.26 173.23 1fr5 s LEU 90 N 1.30 4.54 -0.32 2.70 2.96 0.74 -4.96 118.68 125.65 1fr5 s LEU 90 Ca -0.04 -1.05 -0.18 0.00 -0.22 0.00 0.00 54.13 52.63 1fr5 s LEU 90 Cb -0.18 -1.96 -0.01 0.00 0.50 0.00 0.00 46.19 44.55 1fr5 s LEU 90 CO -0.07 -0.36 0.53 -0.89 -1.32 0.00 0.00 176.35 174.24 1fr5 s THR 91 N 1.49 5.01 -0.20 3.68 2.01 -1.26 -1.10 115.64 125.27 1fr5 s THR 91 Ca 0.00 0.56 0.00 0.00 0.31 0.00 0.00 61.69 62.57 1fr5 s THR 91 Cb -0.19 -3.94 0.05 0.00 0.01 0.00 0.00 72.50 68.43 1fr5 s THR 91 CO 0.05 -0.13 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.14 1fr5 s ILE 92 N 2.42 1.47 0.65 1.82 1.01 -0.44 -4.96 121.20 123.17 1fr5 s ILE 92 Ca 0.20 -0.95 -0.17 0.00 0.00 0.00 0.00 60.65 59.73 1fr5 s ILE 92 Cb -0.15 -1.61 -0.03 0.00 0.01 0.00 0.00 42.46 40.67 1fr5 s ILE 92 CO 0.12 0.10 0.95 -2.65 0.00 0.00 0.00 174.94 173.46 1fr5 n PRO 93 N 4.73 0.74 -0.14 2.79 -0.02 -1.26 -2.30 135.00 139.54 1fr5 n PRO 93 Ca -0.13 0.30 -0.08 0.00 -2.02 0.00 0.00 63.50 61.56 1fr5 n PRO 93 Cb 0.46 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 1fr5 n PRO 93 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1fr5 h VAL 94 N 0.20 1.18 0.00 -1.45 2.07 -1.20 -2.89 116.25 114.15 1fr5 h VAL 94 Ca -0.48 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 66.54 1fr5 h VAL 94 Cb 1.36 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1fr5 h VAL 94 CO 0.49 0.19 0.28 0.49 0.02 0.00 0.00 177.57 179.04 1fr5 n PHE 95 N -4.67 0.22 -1.88 1.57 3.72 -1.26 -4.71 117.46 110.44 1fr5 n PHE 95 Ca 0.01 0.11 -0.41 0.00 -0.05 0.00 0.00 57.45 57.11 1fr5 n PHE 95 Cb 0.11 -0.46 -0.01 0.00 -0.94 0.00 0.00 39.48 38.19 1fr5 n PHE 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1fr5 s ALA 96 N -2.94 3.56 0.51 4.37 0.00 -1.09 -5.03 121.76 121.14 1fr5 s ALA 96 Ca -0.01 1.50 0.01 0.00 0.00 0.00 0.00 51.96 53.46 1fr5 s ALA 96 Cb 0.02 -3.58 0.02 0.00 0.00 0.00 0.00 23.12 19.58 1fr5 s ALA 96 CO 0.06 -0.95 0.73 0.95 0.00 0.00 0.00 175.76 176.54 1fr5 s THR 97 N -1.08 3.16 0.23 0.00 -4.23 -1.26 -4.94 115.64 107.52 1fr5 s THR 97 Ca 0.52 -0.63 -0.07 0.00 -1.18 0.00 0.00 61.69 60.33 1fr5 s THR 97 Cb -0.45 -3.17 0.19 0.00 1.34 0.00 0.00 72.50 70.41 1fr5 s THR 97 CO 0.60 -0.12 1.85 0.78 -0.54 0.00 0.00 174.62 177.19 1fr5 h ASN 98 N 0.22 0.80 -0.40 3.99 2.35 -1.98 -0.93 115.58 119.63 1fr5 h ASN 98 Ca -0.43 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.32 1fr5 h ASN 98 Cb 1.28 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 39.47 1fr5 h ASN 98 CO 0.54 0.53 0.22 0.44 -1.65 0.00 0.00 177.43 177.51 1fr5 h ASP 99 N 0.94 0.49 -0.85 5.81 3.32 -2.00 -1.41 116.42 122.72 1fr5 h ASP 99 Ca 0.34 -0.08 0.18 0.00 0.02 0.00 0.00 57.03 57.49 1fr5 h ASP 99 Cb 0.10 -0.12 -0.11 0.00 0.22 0.00 0.00 39.33 39.41 1fr5 h ASP 99 CO -0.15 0.42 0.36 0.44 -1.72 0.00 0.00 179.24 178.60 1fr5 h ASP 100 N 0.51 0.33 0.92 6.45 3.32 -1.57 -0.11 116.42 126.27 1fr5 h ASP 100 Ca 0.14 0.13 -0.05 0.00 0.02 0.00 0.00 57.03 57.28 1fr5 h ASP 100 Cb 0.04 0.10 0.01 0.00 0.22 0.00 0.00 39.33 39.70 1fr5 h ASP 100 CO -0.02 0.06 -0.44 0.00 -1.72 0.00 0.00 179.24 177.12 1fr5 h ALA 102 N -1.36 2.04 0.64 0.00 0.00 -0.28 1.16 119.26 121.46 1fr5 h ALA 102 Ca -0.13 0.27 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1fr5 h ALA 102 Cb 0.95 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1fr5 h ALA 102 CO 0.21 -0.87 -0.48 1.25 0.00 0.00 0.00 179.25 179.36 1fr5 h LEU 103 N 0.04 -1.26 -0.76 0.00 5.85 -0.49 0.22 115.31 118.92 1fr5 h LEU 103 Ca 0.81 0.09 0.14 0.00 0.84 0.00 0.00 57.88 59.76 1fr5 h LEU 103 Cb 2.07 0.39 -0.14 0.00 0.37 0.00 0.00 40.66 43.35 1fr5 h LEU 103 CO -0.76 -0.69 -0.26 0.40 -0.34 0.00 0.00 178.44 176.78 1fr5 h ILE 104 N -1.08 0.17 -0.15 4.05 2.04 0.19 0.39 117.51 123.12 1fr5 h ILE 104 Ca -0.08 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.83 1fr5 h ILE 104 Cb 0.90 0.17 -0.07 0.00 -0.74 0.00 0.00 36.82 37.08 1fr5 h ILE 104 CO 0.03 0.00 -0.33 0.58 0.00 0.00 0.00 178.15 178.42 1fr5 h VAL 105 N -0.05 0.26 -0.46 1.67 2.07 -0.23 0.46 116.25 119.97 1fr5 h VAL 105 Ca 0.33 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.95 1fr5 h VAL 105 Cb 0.57 0.26 -0.10 0.00 -1.52 0.00 0.00 31.29 30.51 1fr5 h VAL 105 CO -0.80 0.00 -0.24 0.11 0.02 0.00 0.00 177.57 176.67 1fr5 h LYS 106 N -0.40 -0.13 -0.48 1.57 1.57 0.30 0.34 116.57 119.34 1fr5 h LYS 106 Ca 0.10 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.95 1fr5 h LYS 106 Cb 0.56 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.84 1fr5 h LYS 106 CO -0.38 -0.09 0.16 0.00 -0.57 0.00 0.00 179.45 178.58 1fr5 h ALA 107 N 1.13 0.57 -0.23 3.86 0.00 0.13 0.51 119.26 125.23 1fr5 h ALA 107 Ca 0.22 0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.25 1fr5 h ALA 107 Cb 0.48 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.26 1fr5 h ALA 107 CO -0.55 -0.23 -0.15 1.25 0.00 0.00 0.00 179.25 179.57 1fr5 h LEU 108 N 0.33 -0.48 -0.44 0.00 5.85 0.23 0.24 115.31 121.03 1fr5 h LEU 108 Ca 0.23 0.10 0.08 0.00 0.84 0.00 0.00 57.88 59.13 1fr5 h LEU 108 Cb 0.24 0.25 -0.06 0.00 0.37 0.00 0.00 40.66 41.46 1fr5 h LEU 108 CO -0.24 -0.18 0.06 1.56 -0.34 0.00 0.00 178.44 179.29 1fr5 h GLN 109 N -0.13 0.18 0.26 1.25 4.20 0.12 -2.30 115.11 118.69 1fr5 h GLN 109 Ca 0.13 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.83 1fr5 h GLN 109 Cb 0.33 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 1fr5 h GLN 109 CO -0.31 0.12 -0.23 0.78 -0.67 0.00 0.00 178.83 178.51 1fr5 h GLY 110 N 0.18 -0.53 -0.94 3.46 0.00 0.10 -0.49 103.07 104.87 1fr5 h GLY 110 Ca 0.22 0.26 0.27 0.00 0.00 0.00 0.00 47.33 48.08 1fr5 h GLY 110 CO -0.31 -0.22 0.05 2.41 0.00 0.00 0.00 176.54 178.47 1fr5 n THR 111 N -5.36 -0.39 -0.21 4.70 -1.04 0.73 -0.28 114.28 112.43 1fr5 n THR 111 Ca -0.09 2.05 0.10 0.00 -2.04 0.00 0.00 64.05 64.07 1fr5 n THR 111 Cb 0.27 -3.02 0.25 0.00 -1.82 0.00 0.00 70.33 66.01 1fr5 n THR 111 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 1fr5 n PHE 112 N -5.37 0.74 -1.79 -1.42 3.72 -1.10 -4.06 117.46 108.17 1fr5 n PHE 112 Ca 0.23 -0.46 -0.40 0.00 -0.05 0.00 0.00 57.45 56.77 1fr5 n PHE 112 Cb 0.75 -0.01 0.01 0.00 -0.94 0.00 0.00 39.48 39.30 1fr5 n PHE 112 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1fr5 s LYS 113 N -1.06 3.84 0.42 -1.08 2.20 0.61 -4.73 119.74 119.95 1fr5 s LYS 113 Ca 0.39 2.49 -0.26 0.00 -0.36 0.00 0.00 55.97 58.23 1fr5 s LYS 113 Cb 0.21 -2.77 -0.10 0.00 -1.51 0.00 0.00 37.83 33.66 1fr5 s LYS 113 CO 0.27 -0.72 1.34 2.41 -0.36 0.00 0.00 175.35 178.29 1fr5 n THR 114 N 0.05 2.56 0.00 3.43 -1.04 -1.26 -1.95 114.28 116.06 1fr5 n THR 114 Ca 0.04 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.55 1fr5 n THR 114 Cb 0.41 -1.68 0.00 0.00 -1.82 0.00 0.00 70.33 67.24 1fr5 n THR 114 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1fr5 n GLY 115 N 0.71 3.31 3.81 3.41 0.00 -1.26 -5.03 105.19 110.14 1fr5 n GLY 115 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 1fr5 n GLY 115 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1fr5 s ASN 116 N -0.94 6.77 0.00 1.61 0.01 -0.82 -4.87 114.94 116.69 1fr5 s ASN 116 Ca 0.00 0.91 0.00 0.00 -0.71 0.00 0.00 52.86 53.06 1fr5 s ASN 116 Cb 0.00 -2.25 0.00 0.00 0.41 0.00 0.00 41.25 39.41 1fr5 s ASN 116 CO 0.00 0.27 0.18 -0.81 -1.51 0.00 0.00 177.10 175.23 1fr5 n PRO 117 N 2.17 0.00 -0.38 -0.60 -0.04 -1.26 -0.95 135.00 133.95 1fr5 n PRO 117 Ca -0.13 0.18 -0.01 0.00 -0.04 0.00 0.00 63.50 63.51 1fr5 n PRO 117 Cb 0.52 -0.30 0.04 0.00 -0.04 0.00 0.00 33.50 33.73 1fr5 n PRO 117 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1fr5 h ILE 118 N 0.00 0.01 0.42 0.52 2.04 -1.94 0.54 117.51 119.10 1fr5 h ILE 118 Ca 0.00 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1fr5 h ILE 118 Cb 0.00 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.08 1fr5 h ILE 118 CO 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 178.15 177.85 1fr5 h ALA 119 N 1.39 -0.70 -0.53 1.87 0.00 -1.19 -2.72 119.26 117.39 1fr5 h ALA 119 Ca 0.35 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.23 1fr5 h ALA 119 Cb 0.60 0.38 -0.11 0.00 0.00 0.00 0.00 17.79 18.67 1fr5 h ALA 119 CO -0.98 -0.92 -0.27 1.15 0.00 0.00 0.00 179.25 178.23 1fr5 h THR 120 N -0.70 0.27 0.43 0.00 2.02 0.10 -2.13 112.91 112.90 1fr5 h THR 120 Ca -0.04 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 1fr5 h THR 120 Cb 0.59 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 1fr5 h THR 120 CO 0.02 0.00 -0.44 0.00 0.37 0.00 0.00 175.52 175.46 1fr5 h ALA 121 N 1.13 -1.10 -0.91 6.16 0.00 -0.25 -2.20 119.26 122.08 1fr5 h ALA 121 Ca 0.23 -0.17 0.25 0.00 0.00 0.00 0.00 54.91 55.23 1fr5 h ALA 121 Cb 0.51 0.68 -0.16 0.00 0.00 0.00 0.00 17.79 18.82 1fr5 h ALA 121 CO -0.61 -1.13 0.13 0.82 0.00 0.00 0.00 179.25 178.46 1fr5 h ILE 122 N -0.87 0.18 0.00 0.00 2.04 -1.29 0.82 117.51 118.38 1fr5 h ILE 122 Ca -0.05 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1fr5 h ILE 122 Cb 0.76 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1fr5 h ILE 122 CO -0.06 0.02 0.00 0.00 0.00 0.00 0.00 178.15 178.11 1fr5 n ALA 123 N -2.90 1.87 -1.46 1.87 0.00 -0.82 -2.82 120.51 116.25 1fr5 n ALA 123 Ca 0.22 -0.07 0.04 0.00 0.00 0.00 0.00 53.44 53.62 1fr5 n ALA 123 Cb 0.72 -1.24 0.05 0.00 0.00 0.00 0.00 19.45 18.98 1fr5 n ALA 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fr5 n ALA 124 N -1.25 2.02 -3.87 0.00 0.00 0.28 -5.00 120.51 112.68 1fr5 n ALA 124 Ca 0.08 -1.56 -0.27 0.00 0.00 0.00 0.00 53.44 51.68 1fr5 n ALA 124 Cb 0.11 -0.39 -0.00 0.00 0.00 0.00 0.00 19.45 19.17 1fr5 n ALA 124 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1fr5 n ASN 125 N -0.56 -1.70 -4.05 0.00 3.02 -0.80 -4.97 115.26 106.20 1fr5 n ASN 125 Ca 0.06 -1.01 -0.09 0.00 -0.03 0.00 0.00 54.58 53.51 1fr5 n ASN 125 Cb 0.64 -3.16 -0.09 0.00 -0.61 0.00 0.00 39.78 36.56 1fr5 n ASN 125 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1fr5 s SER 126 N -4.13 0.26 0.71 6.41 1.04 -1.09 -5.06 113.70 111.84 1fr5 s SER 126 Ca 0.13 -1.00 -0.02 0.00 0.48 0.00 0.00 55.95 55.55 1fr5 s SER 126 Cb -0.05 0.31 0.11 0.00 0.10 0.00 0.00 66.02 66.49 1fr5 s SER 126 CO 0.88 -0.73 0.98 -0.83 0.98 0.00 0.00 173.24 174.52 1fr5 s GLY 127 N -2.97 1.77 -0.04 7.32 0.00 -1.26 -4.25 107.32 107.89 1fr5 s GLY 127 Ca 0.15 -1.57 -0.25 0.00 0.00 0.00 0.00 44.72 43.06 1fr5 s GLY 127 CO -0.04 -1.05 0.75 -0.42 0.00 0.00 0.00 173.10 172.35 1fr5 s ILE 128 N -3.13 4.96 0.00 0.90 1.09 -1.26 -4.90 121.20 118.86 1fr5 s ILE 128 Ca 0.65 1.57 0.00 0.00 -1.10 0.00 0.00 60.65 61.77 1fr5 s ILE 128 Cb -0.06 -4.10 0.00 0.00 -1.06 0.00 0.00 42.46 37.24 1fr5 s ILE 128 CO 0.44 0.26 0.00 0.00 -0.10 0.00 0.00 174.94 175.54