#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fr5 n SER 2 N 0.00 0.00 -0.13 0.00 2.88 -1.26 -5.02 113.62 110.09 1fr5 n SER 2 Ca 0.00 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.56 1fr5 n SER 2 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 1fr5 n SER 2 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1fr5 n ASN 3 N 0.00 1.39 -2.08 -3.46 0.23 -1.26 -4.69 115.26 105.39 1fr5 n ASN 3 Ca 0.00 -1.24 -0.16 0.00 -0.53 0.00 0.00 54.58 52.65 1fr5 n ASN 3 Cb 0.00 -0.01 -0.07 0.00 -2.08 0.00 0.00 39.78 37.62 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 0.13 0.80 -1.89 -2.53 7.35 -1.26 -4.89 117.46 115.17 1fr5 n PHE 4 Ca 0.02 -1.66 -0.09 0.00 -0.76 0.00 0.00 57.45 54.96 1fr5 n PHE 4 Cb 0.11 -1.26 0.06 0.00 0.35 0.00 0.00 39.48 38.73 1fr5 n PHE 4 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 1fr5 n GLU 5 N 1.44 -0.01 -3.73 -4.13 1.02 -1.26 -4.80 120.64 109.17 1fr5 n GLU 5 Ca 0.37 -0.84 -0.32 0.00 -0.02 0.00 0.00 57.16 56.35 1fr5 n GLU 5 Cb 0.68 -0.34 -0.05 0.00 -0.02 0.00 0.00 31.44 31.71 1fr5 n GLU 5 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1fr5 s GLU 6 N -3.64 3.58 0.18 3.49 2.12 -1.26 -4.45 118.70 118.71 1fr5 s GLU 6 Ca 0.25 -0.16 -0.19 0.00 0.36 0.00 0.00 54.97 55.23 1fr5 s GLU 6 Cb -0.01 -2.91 0.04 0.00 0.26 0.00 0.00 34.13 31.51 1fr5 s GLU 6 CO 0.17 0.51 0.52 -0.59 -0.54 0.00 0.00 175.26 175.33 1fr5 s PHE 7 N -1.60 -0.24 -0.19 5.30 -0.71 -0.72 -4.99 117.98 114.83 1fr5 s PHE 7 Ca 0.39 -0.08 -0.26 0.00 -1.04 0.00 0.00 56.93 55.94 1fr5 s PHE 7 Cb -0.12 0.42 -0.01 0.00 -1.21 0.00 0.00 43.02 42.10 1fr5 s PHE 7 CO 0.25 -0.87 0.90 0.14 -1.34 0.00 0.00 175.22 174.29 1fr5 s VAL 8 N -3.83 4.82 -0.17 -2.49 -7.23 -1.26 -0.87 120.40 109.37 1fr5 s VAL 8 Ca 0.06 1.76 -0.10 0.00 -1.81 0.00 0.00 61.98 61.89 1fr5 s VAL 8 Cb -0.01 -4.19 -0.23 0.00 0.56 0.00 0.00 36.38 32.51 1fr5 s VAL 8 CO -0.07 -0.04 0.22 -0.11 -0.31 0.00 0.00 175.10 174.79 1fr5 n LEU 9 N 5.60 2.44 -4.30 1.32 7.94 0.92 -4.80 117.00 126.11 1fr5 n LEU 9 Ca 0.07 0.23 -0.34 0.00 -1.11 0.00 0.00 56.01 54.86 1fr5 n LEU 9 Cb 0.48 -1.04 -0.14 0.00 0.53 0.00 0.00 43.42 43.24 1fr5 n LEU 9 CO 0.49 0.70 -0.43 -0.69 -1.11 0.00 0.00 177.39 176.36 1fr5 s VAL 10 N -2.50 3.07 -0.54 1.96 1.01 -1.10 -4.97 120.40 117.32 1fr5 s VAL 10 Ca -0.26 -0.62 -0.07 0.00 0.00 0.00 0.00 61.98 61.03 1fr5 s VAL 10 Cb 0.07 -2.35 0.14 0.00 0.00 0.00 0.00 36.38 34.24 1fr5 s VAL 10 CO 0.69 0.48 0.40 -0.62 0.00 0.00 0.00 175.10 176.04 1fr5 s ASP 11 N 1.06 5.65 -0.13 3.32 2.15 -1.26 -1.47 116.67 126.00 1fr5 s ASP 11 Ca 0.00 -2.24 0.17 0.00 0.43 0.00 0.00 52.55 50.91 1fr5 s ASP 11 Cb -0.15 -1.97 0.71 0.00 -0.30 0.00 0.00 42.92 41.21 1fr5 s ASP 11 CO -0.02 -0.58 1.62 0.59 -0.17 0.00 0.00 175.17 176.61 1fr5 n ASN 12 N 4.42 4.80 -2.50 -0.34 3.02 -1.26 -5.00 115.26 118.40 1fr5 n ASN 12 Ca -0.01 -2.54 -0.02 0.00 -0.03 0.00 0.00 54.58 51.97 1fr5 n ASN 12 Cb 0.41 -0.58 0.00 0.00 -0.61 0.00 0.00 39.78 39.00 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 0.92 -2.91 4.76 7.41 0.00 -1.26 -3.96 105.19 110.14 1fr5 n GLY 13 Ca 0.25 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.85 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 0.20 0.68 0.00 -0.02 0.00 -1.26 -4.83 105.19 99.97 1fr5 n GLY 14 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1fr5 n GLY 14 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1fr5 n THR 15 N -0.78 0.00 0.24 2.61 5.66 -1.25 -4.70 114.28 116.06 1fr5 n THR 15 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1fr5 n THR 15 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1fr5 n THR 15 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1fr5 n GLY 16 N 5.00 0.53 3.61 1.09 0.00 -1.26 -4.88 105.19 109.28 1fr5 n GLY 16 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1fr5 n GLY 16 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1fr5 n ASP 17 N 0.91 1.39 -4.26 1.61 9.92 -1.26 -4.80 116.55 120.06 1fr5 n ASP 17 Ca 0.00 1.10 -0.42 0.00 -0.53 0.00 0.00 54.79 54.94 1fr5 n ASP 17 Cb 0.13 -1.34 -0.08 0.00 -0.64 0.00 0.00 41.12 39.19 1fr5 n ASP 17 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1fr5 s VAL 18 N -1.19 4.51 0.10 2.53 1.01 -0.54 -4.97 120.40 121.85 1fr5 s VAL 18 Ca 0.61 -1.60 -0.20 0.00 0.00 0.00 0.00 61.98 60.79 1fr5 s VAL 18 Cb -0.60 -3.89 -0.07 0.00 0.00 0.00 0.00 36.38 31.81 1fr5 s VAL 18 CO 0.59 -0.73 0.60 -0.54 0.00 0.00 0.00 175.10 175.02 1fr5 s LYS 19 N 1.45 4.23 -0.01 2.72 1.02 -1.26 -0.06 119.74 127.83 1fr5 s LYS 19 Ca 0.04 0.78 0.07 0.00 0.02 0.00 0.00 55.97 56.88 1fr5 s LYS 19 Cb -0.26 -3.19 -0.02 0.00 -0.52 0.00 0.00 37.83 33.84 1fr5 s LYS 19 CO 0.01 0.60 -0.21 0.54 -0.92 0.00 0.00 175.35 175.37 1fr5 s VAL 20 N -1.17 1.68 0.28 3.17 0.11 -0.05 -4.05 120.40 120.37 1fr5 s VAL 20 Ca 0.32 -0.96 0.10 0.00 -2.93 0.00 0.00 61.98 58.50 1fr5 s VAL 20 Cb -0.19 -1.41 -0.05 0.00 -1.53 0.00 0.00 36.38 33.20 1fr5 s VAL 20 CO 0.20 0.43 -0.15 0.00 -3.33 0.00 0.00 175.10 172.25 1fr5 s ALA 21 N -0.55 2.57 0.11 1.54 0.00 -0.53 -1.76 121.76 123.14 1fr5 s ALA 21 Ca 0.08 -1.88 -0.33 0.00 0.00 0.00 0.00 51.96 49.84 1fr5 s ALA 21 Cb -0.08 -0.12 -0.12 0.00 0.00 0.00 0.00 23.12 22.80 1fr5 s ALA 21 CO -0.00 0.14 1.76 -2.30 0.00 0.00 0.00 175.76 175.36 1fr5 n PRO 22 N -0.60 2.50 -0.09 0.00 -0.02 -1.26 0.18 135.00 135.71 1fr5 n PRO 22 Ca -0.06 0.91 -0.11 0.00 -2.02 0.00 0.00 63.50 62.22 1fr5 n PRO 22 Cb 0.61 -2.75 -0.04 0.00 -0.02 0.00 0.00 33.50 31.30 1fr5 n PRO 22 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1fr5 n SER 23 N 4.97 1.89 -3.58 2.55 2.88 0.42 -4.74 113.62 118.00 1fr5 n SER 23 Ca 0.18 0.45 -0.06 0.00 -1.33 0.00 0.00 58.87 58.11 1fr5 n SER 23 Cb 0.33 -0.82 -0.03 0.00 -0.75 0.00 0.00 64.21 62.94 1fr5 n SER 23 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1fr5 s ASN 24 N -6.13 -0.22 -0.58 -3.46 4.22 -1.18 -5.01 114.94 102.56 1fr5 s ASN 24 Ca -0.25 0.12 -0.12 0.00 -2.14 0.00 0.00 52.86 50.47 1fr5 s ASN 24 Cb 0.05 0.21 0.15 0.00 1.28 0.00 0.00 41.25 42.94 1fr5 s ASN 24 CO 0.38 -0.30 0.49 0.12 -2.04 0.00 0.00 177.10 175.75 1fr5 s PHE 25 N -1.95 3.44 0.00 1.54 2.19 -1.26 -1.80 117.98 120.14 1fr5 s PHE 25 Ca 0.05 -1.81 0.00 0.00 0.33 0.00 0.00 56.93 55.50 1fr5 s PHE 25 Cb -0.01 -3.62 0.00 0.00 -1.31 0.00 0.00 43.02 38.08 1fr5 s PHE 25 CO -0.04 -0.99 0.00 0.00 1.83 0.00 0.00 175.22 176.02 1fr5 n ALA 26 N 4.67 0.00 -3.27 11.12 0.00 -0.74 -4.80 120.51 127.49 1fr5 n ALA 26 Ca -0.04 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.96 1fr5 n ALA 26 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 1fr5 n ALA 26 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1fr5 n ASN 27 N 0.00 5.71 -0.54 0.00 3.02 -1.26 -4.42 115.26 117.77 1fr5 n ASN 27 Ca 0.00 -3.11 -0.07 0.00 -0.03 0.00 0.00 54.58 51.37 1fr5 n ASN 27 Cb 0.00 -1.36 -0.03 0.00 -0.61 0.00 0.00 39.78 37.78 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 2.40 0.89 3.07 7.41 0.00 -1.26 -4.96 105.19 112.73 1fr5 n GLY 28 Ca 0.24 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 1fr5 n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1fr5 s VAL 29 N -2.12 2.57 0.23 1.61 1.01 -1.26 -4.19 120.40 118.24 1fr5 s VAL 29 Ca 0.00 -2.09 -0.30 0.00 0.00 0.00 0.00 61.98 59.59 1fr5 s VAL 29 Cb 0.00 -2.77 -0.09 0.00 0.00 0.00 0.00 36.38 33.52 1fr5 s VAL 29 CO 0.00 -0.50 1.10 0.00 0.00 0.00 0.00 175.10 175.71 1fr5 s ALA 30 N 1.02 3.39 -0.07 5.51 0.00 0.18 -1.80 121.76 130.00 1fr5 s ALA 30 Ca 0.06 0.85 0.02 0.00 0.00 0.00 0.00 51.96 52.89 1fr5 s ALA 30 Cb -0.20 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 19.59 1fr5 s ALA 30 CO -0.06 -0.18 -0.12 -2.00 0.00 0.00 0.00 175.76 173.40 1fr5 s GLU 31 N -0.87 1.74 -0.02 0.00 2.12 -0.75 -1.83 118.70 119.09 1fr5 s GLU 31 Ca 0.47 -0.42 0.08 0.00 0.36 0.00 0.00 54.97 55.46 1fr5 s GLU 31 Cb -0.31 -1.46 -0.02 0.00 0.26 0.00 0.00 34.13 32.60 1fr5 s GLU 31 CO 0.38 0.00 -0.25 -1.58 -0.54 0.00 0.00 175.26 173.27 1fr5 s TRP 32 N 0.75 2.35 -0.04 5.30 0.51 -0.32 0.16 118.94 127.66 1fr5 s TRP 32 Ca -0.13 -0.42 0.00 0.00 -2.12 0.00 0.00 56.10 53.43 1fr5 s TRP 32 Cb -0.16 -1.51 0.03 0.00 -0.81 0.00 0.00 33.47 31.02 1fr5 s TRP 32 CO 0.03 -0.02 -0.00 0.42 -0.51 0.00 0.00 176.95 176.86 1fr5 s ILE 33 N -0.62 0.24 0.67 2.03 -1.09 0.47 -1.84 121.20 121.06 1fr5 s ILE 33 Ca 0.10 0.08 -0.16 0.00 -2.23 0.00 0.00 60.65 58.44 1fr5 s ILE 33 Cb -0.10 -0.34 0.01 0.00 -1.58 0.00 0.00 42.46 40.45 1fr5 s ILE 33 CO -0.01 0.17 1.19 -0.94 -1.23 0.00 0.00 174.94 174.13 1fr5 s SER 34 N 1.19 4.67 1.36 3.58 1.04 -0.98 -1.45 113.70 123.11 1fr5 s SER 34 Ca -0.07 2.31 -0.21 0.00 0.48 0.00 0.00 55.95 58.46 1fr5 s SER 34 Cb -0.13 -2.59 0.35 0.00 0.10 0.00 0.00 66.02 63.75 1fr5 s SER 34 CO -0.02 -1.94 0.97 -0.44 0.98 0.00 0.00 173.24 172.79 1fr5 s SER 35 N -1.97 -0.56 0.19 7.02 0.01 -1.26 -4.73 113.70 112.40 1fr5 s SER 35 Ca 0.74 0.88 0.00 0.00 1.31 0.00 0.00 55.95 58.88 1fr5 s SER 35 Cb -0.28 -1.26 0.00 0.00 0.21 0.00 0.00 66.02 64.69 1fr5 s SER 35 CO 0.41 -5.06 0.00 -3.20 0.41 0.00 0.00 173.24 165.80 1fr5 n ASN 36 N -5.43 -3.50 -2.42 2.44 2.85 -1.26 -4.87 115.26 103.07 1fr5 n ASN 36 Ca 0.12 0.38 -0.34 0.00 -0.11 0.00 0.00 54.58 54.63 1fr5 n ASN 36 Cb 0.59 -1.87 -0.06 0.00 1.24 0.00 0.00 39.78 39.69 1fr5 n ASN 36 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1fr5 n SER 37 N -3.06 0.49 -0.08 1.20 7.64 -1.26 -4.76 113.62 113.79 1fr5 n SER 37 Ca -0.01 0.46 0.24 0.00 1.01 0.00 0.00 58.87 60.57 1fr5 n SER 37 Cb 0.27 -0.49 0.71 0.00 -1.01 0.00 0.00 64.21 63.69 1fr5 n SER 37 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1fr5 h ARG 38 N 4.23 0.00 -0.03 1.43 9.65 -1.89 0.56 114.38 128.32 1fr5 h ARG 38 Ca -0.11 0.00 0.01 0.00 -1.10 0.00 0.00 59.98 58.77 1fr5 h ARG 38 Cb 0.77 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.35 1fr5 h ARG 38 CO 0.58 0.00 0.08 0.66 2.80 0.00 0.00 179.97 184.09 1fr5 h SER 39 N 0.00 0.00 -2.00 -3.80 4.64 -1.90 -3.01 113.55 107.48 1fr5 h SER 39 Ca 0.33 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 61.15 1fr5 h SER 39 Cb 1.34 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 63.03 1fr5 h SER 39 CO -0.00 0.00 -1.18 0.00 -0.87 0.00 0.00 176.83 174.78 1fr5 n GLN 40 N -3.32 0.92 -4.27 4.77 10.64 0.19 -4.00 117.38 122.31 1fr5 n GLN 40 Ca -0.02 -3.35 -0.18 0.00 -1.83 0.00 0.00 57.00 51.63 1fr5 n GLN 40 Cb 0.16 -1.60 -0.11 0.00 -0.86 0.00 0.00 30.24 27.84 1fr5 n GLN 40 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1fr5 s ALA 41 N -2.15 1.61 0.56 2.61 0.00 -1.14 -4.79 121.76 118.47 1fr5 s ALA 41 Ca 0.39 -1.40 -0.15 0.00 0.00 0.00 0.00 51.96 50.80 1fr5 s ALA 41 Cb 0.31 -0.06 -0.05 0.00 0.00 0.00 0.00 23.12 23.31 1fr5 s ALA 41 CO -0.09 0.07 1.02 0.71 0.00 0.00 0.00 175.76 177.47 1fr5 s TYR 42 N -2.48 3.31 -0.03 0.00 1.51 -1.26 -4.64 117.35 113.76 1fr5 s TYR 42 Ca 0.13 1.46 -0.03 0.00 -1.01 0.00 0.00 57.07 57.62 1fr5 s TYR 42 Cb -0.03 -2.86 0.01 0.00 -0.11 0.00 0.00 41.96 38.97 1fr5 s TYR 42 CO 0.03 -0.70 0.07 0.21 -1.11 0.00 0.00 175.55 174.06 1fr5 s LYS 43 N -4.28 0.10 -0.06 -0.62 2.20 -1.08 -2.31 119.74 113.70 1fr5 s LYS 43 Ca 0.60 0.07 -0.02 0.00 -0.36 0.00 0.00 55.97 56.25 1fr5 s LYS 43 Cb -0.12 0.05 0.03 0.00 -1.51 0.00 0.00 37.83 36.28 1fr5 s LYS 43 CO 0.38 -0.01 0.07 0.08 -0.36 0.00 0.00 175.35 175.50 1fr5 s VAL 44 N -0.04 -0.12 0.25 4.02 1.01 -0.77 -1.00 120.40 123.76 1fr5 s VAL 44 Ca -0.01 0.36 0.10 0.00 0.00 0.00 0.00 61.98 62.43 1fr5 s VAL 44 Cb -0.01 -0.21 -0.04 0.00 0.00 0.00 0.00 36.38 36.12 1fr5 s VAL 44 CO 0.00 0.13 -0.09 0.42 0.00 0.00 0.00 175.10 175.56 1fr5 s THR 45 N 2.17 3.07 -0.20 3.92 -4.23 -0.02 -1.17 115.64 119.19 1fr5 s THR 45 Ca 0.05 -2.03 -0.23 0.00 -1.18 0.00 0.00 61.69 58.30 1fr5 s THR 45 Cb -0.12 -2.61 0.06 0.00 1.34 0.00 0.00 72.50 71.17 1fr5 s THR 45 CO -0.04 -0.33 0.63 0.00 -0.54 0.00 0.00 174.62 174.34 1fr5 s SER 47 N 0.01 -0.71 -0.13 0.00 1.04 -0.98 -0.64 113.70 112.28 1fr5 s SER 47 Ca -0.02 1.33 0.01 0.00 0.48 0.00 0.00 55.95 57.75 1fr5 s SER 47 Cb -0.04 1.33 -0.00 0.00 0.10 0.00 0.00 66.02 67.41 1fr5 s SER 47 CO 0.03 -0.23 -0.17 -0.69 0.98 0.00 0.00 173.24 173.15 1fr5 s VAL 48 N 0.51 2.56 0.21 5.02 1.01 -1.26 -1.25 120.40 127.20 1fr5 s VAL 48 Ca -0.01 -0.82 0.07 0.00 0.00 0.00 0.00 61.98 61.21 1fr5 s VAL 48 Cb -0.05 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.23 1fr5 s VAL 48 CO -0.02 0.53 -0.10 0.00 0.00 0.00 0.00 175.10 175.51 1fr5 s ARG 49 N 0.57 1.34 -0.35 2.72 1.70 -1.16 -4.95 118.95 118.82 1fr5 s ARG 49 Ca -0.10 -1.62 -0.16 0.00 -0.47 0.00 0.00 55.73 53.38 1fr5 s ARG 49 Cb -0.16 -1.00 -0.01 0.00 -0.57 0.00 0.00 34.95 33.21 1fr5 s ARG 49 CO 0.04 0.11 0.39 -1.14 -1.08 0.00 0.00 175.30 173.61 1fr5 s GLN 50 N -3.70 3.55 0.00 3.89 0.74 -1.26 -0.84 119.66 122.04 1fr5 s GLN 50 Ca 0.24 -0.39 0.00 0.00 0.05 0.00 0.00 55.36 55.26 1fr5 s GLN 50 Cb 0.01 -3.81 0.00 0.00 1.10 0.00 0.00 33.01 30.31 1fr5 s GLN 50 CO 0.07 -0.56 0.00 0.45 -0.55 0.00 0.00 175.29 174.70 1fr5 n SER 51 N 5.45 0.00 -4.50 6.67 2.88 0.85 -4.96 113.62 120.01 1fr5 n SER 51 Ca -0.08 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.17 1fr5 n SER 51 Cb 0.49 0.00 0.24 0.00 -0.75 0.00 0.00 64.21 64.20 1fr5 n SER 51 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1fr5 n SER 52 N 0.00 -1.43 0.00 -3.46 2.88 -1.23 -4.80 113.62 105.57 1fr5 n SER 52 Ca 0.00 -0.07 0.04 0.00 -1.33 0.00 0.00 58.87 57.51 1fr5 n SER 52 Cb 0.00 -1.29 0.18 0.00 -0.75 0.00 0.00 64.21 62.35 1fr5 n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1fr5 n ALA 53 N -4.88 1.41 0.00 -1.46 0.00 -1.26 -2.08 120.51 112.25 1fr5 n ALA 53 Ca 0.04 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1fr5 n ALA 53 Cb 0.54 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 -1.47 1.63 -3.95 0.00 3.02 -1.26 -4.96 115.26 108.26 1fr5 n ASN 54 Ca 0.02 -1.61 -0.15 0.00 -0.03 0.00 0.00 54.58 52.81 1fr5 n ASN 54 Cb 0.09 -0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.12 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 -0.61 0.52 0.06 6.41 0.01 -0.88 -1.33 114.94 119.10 1fr5 s ASN 55 Ca 0.00 -0.12 0.02 0.00 -0.71 0.00 0.00 52.86 52.05 1fr5 s ASN 55 Cb 0.00 -0.04 -0.04 0.00 0.41 0.00 0.00 41.25 41.58 1fr5 s ASN 55 CO 0.00 0.02 0.10 -0.13 -1.51 0.00 0.00 177.10 175.59 1fr5 s ARG 56 N -0.25 3.02 -0.26 -0.60 0.52 -0.36 -0.11 118.95 120.91 1fr5 s ARG 56 Ca 0.00 -0.61 -0.04 0.00 -0.52 0.00 0.00 55.73 54.57 1fr5 s ARG 56 Cb -0.02 -2.81 0.09 0.00 0.52 0.00 0.00 34.95 32.73 1fr5 s ARG 56 CO -0.00 0.59 0.11 0.21 0.02 0.00 0.00 175.30 176.23 1fr5 s LYS 57 N -2.28 0.23 0.54 3.54 2.20 -0.02 -0.78 119.74 123.16 1fr5 s LYS 57 Ca 0.29 -0.48 -0.18 0.00 -0.36 0.00 0.00 55.97 55.24 1fr5 s LYS 57 Cb -0.12 -1.42 -0.06 0.00 -1.51 0.00 0.00 37.83 34.72 1fr5 s LYS 57 CO 0.21 -0.93 1.07 0.71 -0.36 0.00 0.00 175.35 176.05 1fr5 s TYR 58 N 2.05 2.91 -0.21 4.03 1.51 0.75 -2.97 117.35 125.42 1fr5 s TYR 58 Ca 0.07 1.55 -0.04 0.00 -1.01 0.00 0.00 57.07 57.64 1fr5 s TYR 58 Cb -0.16 -3.10 0.08 0.00 -0.11 0.00 0.00 41.96 38.68 1fr5 s TYR 58 CO -0.29 -1.11 0.16 0.99 -1.11 0.00 0.00 175.55 174.18 1fr5 s THR 59 N -2.11 -0.18 -0.14 -0.71 2.01 -0.38 -1.05 115.64 113.06 1fr5 s THR 59 Ca 0.67 -0.29 -0.02 0.00 0.31 0.00 0.00 61.69 62.36 1fr5 s THR 59 Cb -0.18 -0.72 -0.02 0.00 0.01 0.00 0.00 72.50 71.59 1fr5 s THR 59 CO 0.28 -0.36 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.07 1fr5 s VAL 60 N 2.21 3.43 0.02 3.82 1.01 -0.27 -2.33 120.40 128.29 1fr5 s VAL 60 Ca 0.05 -0.52 0.07 0.00 0.00 0.00 0.00 61.98 61.59 1fr5 s VAL 60 Cb -0.16 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 1fr5 s VAL 60 CO -0.17 0.51 -0.21 -0.54 0.00 0.00 0.00 175.10 174.68 1fr5 s LYS 61 N 0.39 2.06 -0.01 2.72 1.02 -0.60 -0.57 119.74 124.74 1fr5 s LYS 61 Ca -0.07 -0.97 0.01 0.00 0.02 0.00 0.00 55.97 54.96 1fr5 s LYS 61 Cb -0.15 -2.13 -0.00 0.00 -0.52 0.00 0.00 37.83 35.03 1fr5 s LYS 61 CO 0.04 0.55 -0.04 0.08 -0.92 0.00 0.00 175.35 175.06 1fr5 s VAL 62 N -0.82 0.33 -0.16 3.17 1.01 -0.55 -0.84 120.40 122.55 1fr5 s VAL 62 Ca 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 61.95 1fr5 s VAL 62 Cb -0.10 -0.30 0.03 0.00 0.00 0.00 0.00 36.38 36.01 1fr5 s VAL 62 CO 0.03 0.10 -0.10 -1.61 0.00 0.00 0.00 175.10 173.52 1fr5 s GLU 63 N 0.01 1.90 -0.19 2.72 2.02 -0.17 -0.10 118.70 124.89 1fr5 s GLU 63 Ca 0.00 -0.55 -0.05 0.00 0.02 0.00 0.00 54.97 54.39 1fr5 s GLU 63 Cb -0.03 -2.04 -0.03 0.00 0.10 0.00 0.00 34.13 32.13 1fr5 s GLU 63 CO -0.00 -0.33 0.01 0.08 0.02 0.00 0.00 175.26 175.04 1fr5 s VAL 64 N 1.54 4.17 0.20 2.63 1.01 -0.60 -2.64 120.40 126.72 1fr5 s VAL 64 Ca 0.03 -0.25 0.05 0.00 0.00 0.00 0.00 61.98 61.82 1fr5 s VAL 64 Cb -0.14 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 1fr5 s VAL 64 CO -0.09 0.44 0.20 -2.16 0.00 0.00 0.00 175.10 173.50 1fr5 s PRO 65 N 0.75 3.04 -0.27 2.72 0.04 -1.26 -0.20 135.00 139.82 1fr5 s PRO 65 Ca 0.01 -0.89 -0.05 0.00 0.04 0.00 0.00 61.00 60.11 1fr5 s PRO 65 Cb -0.14 -2.69 0.01 0.00 0.04 0.00 0.00 34.50 31.73 1fr5 s PRO 65 CO 0.02 0.45 0.02 0.21 0.04 0.00 0.00 177.00 177.75 1fr5 s LYS 66 N -3.49 3.05 -0.30 4.56 2.47 -0.08 -4.98 119.74 120.96 1fr5 s LYS 66 Ca 0.32 -0.87 -0.28 0.00 -1.56 0.00 0.00 55.97 53.59 1fr5 s LYS 66 Cb -0.09 -3.22 -0.04 0.00 -1.46 0.00 0.00 37.83 33.02 1fr5 s LYS 66 CO 0.25 -0.40 2.05 0.08 0.16 0.00 0.00 175.35 177.49 1fr5 s VAL 67 N 1.44 3.21 0.06 4.02 1.01 -1.26 -1.88 120.40 127.00 1fr5 s VAL 67 Ca 0.02 0.21 -0.30 0.00 0.00 0.00 0.00 61.98 61.91 1fr5 s VAL 67 Cb -0.17 -3.30 -0.05 0.00 0.00 0.00 0.00 36.38 32.87 1fr5 s VAL 67 CO -0.00 -0.20 1.00 0.00 0.00 0.00 0.00 175.10 175.89 1fr5 s ALA 68 N 8.06 3.22 0.14 5.51 0.00 -1.15 -4.81 121.76 132.73 1fr5 s ALA 68 Ca 0.91 0.60 0.07 0.00 0.00 0.00 0.00 51.96 53.54 1fr5 s ALA 68 Cb -0.27 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.48 1fr5 s ALA 68 CO 0.33 -0.17 -0.07 0.99 0.00 0.00 0.00 175.76 176.85 1fr5 s THR 69 N 0.55 3.47 0.00 0.00 2.01 -1.26 -4.67 115.64 115.74 1fr5 s THR 69 Ca 0.50 -1.36 0.00 0.00 0.31 0.00 0.00 61.69 61.14 1fr5 s THR 69 Cb -0.23 -2.68 0.00 0.00 0.01 0.00 0.00 72.50 69.60 1fr5 s THR 69 CO 0.29 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.85 1fr5 n GLY 74 N 0.36 1.03 0.00 4.40 0.00 -1.26 -4.99 105.19 104.73 1fr5 n GLY 74 Ca -0.12 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.13 0.00 0.00 1.61 0.31 -1.26 -5.01 118.33 111.85 1fr5 n VAL 75 Ca 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 1fr5 n VAL 75 Cb 0.29 0.41 0.00 0.00 -0.91 0.00 0.00 33.84 33.63 1fr5 n VAL 75 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1fr5 n GLU 76 N -1.20 0.00 -3.24 5.55 4.07 -1.26 -4.85 120.64 119.72 1fr5 n GLU 76 Ca 0.00 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.68 1fr5 n GLU 76 Cb 0.00 -0.04 -0.08 0.00 -0.06 0.00 0.00 31.44 31.26 1fr5 n GLU 76 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 1fr5 s LEU 77 N 0.00 4.45 0.06 4.31 2.96 -1.26 -5.03 118.68 124.18 1fr5 s LEU 77 Ca 0.00 -0.18 -0.35 0.00 -0.22 0.00 0.00 54.13 53.38 1fr5 s LEU 77 Cb 0.00 -2.56 -0.14 0.00 0.50 0.00 0.00 46.19 43.99 1fr5 s LEU 77 CO 0.00 -0.53 1.61 -2.65 -1.32 0.00 0.00 176.35 173.46 1fr5 n PRO 78 N 5.78 1.90 -3.86 0.98 -0.02 -1.26 -4.96 135.00 133.57 1fr5 n PRO 78 Ca -0.05 0.69 -0.08 0.00 -2.02 0.00 0.00 63.50 62.05 1fr5 n PRO 78 Cb 0.49 -2.45 -0.01 0.00 -0.02 0.00 0.00 33.50 31.51 1fr5 n PRO 78 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1fr5 s VAL 79 N 1.72 0.00 -0.11 -1.45 -7.23 -1.26 -4.85 120.40 107.22 1fr5 s VAL 79 Ca 0.84 -1.03 -0.01 0.00 -1.81 0.00 0.00 61.98 59.97 1fr5 s VAL 79 Cb -0.76 -2.22 -0.03 0.00 0.56 0.00 0.00 36.38 33.94 1fr5 s VAL 79 CO 0.44 0.00 -0.06 0.00 -0.31 0.00 0.00 175.10 175.18 1fr5 s ALA 80 N -3.55 2.99 0.35 1.32 0.00 -1.26 -2.94 121.76 118.67 1fr5 s ALA 80 Ca 0.13 -0.86 0.04 0.00 0.00 0.00 0.00 51.96 51.28 1fr5 s ALA 80 Cb -0.05 -1.37 0.64 0.00 0.00 0.00 0.00 23.12 22.33 1fr5 s ALA 80 CO 0.08 0.41 1.91 0.00 0.00 0.00 0.00 175.76 178.17 1fr5 h ALA 81 N 5.90 1.43 -1.57 0.00 0.00 -1.69 -3.46 119.26 119.88 1fr5 h ALA 81 Ca -0.40 -0.16 0.30 0.00 0.00 0.00 0.00 54.91 54.64 1fr5 h ALA 81 Cb 1.18 -0.16 -0.12 0.00 0.00 0.00 0.00 17.79 18.69 1fr5 h ALA 81 CO 0.57 0.42 0.78 1.67 0.00 0.00 0.00 179.25 182.68 1fr5 s TRP 82 N -5.11 -0.07 0.02 0.00 1.48 -1.26 -5.04 118.94 108.98 1fr5 s TRP 82 Ca -0.08 -0.06 0.02 0.00 -1.06 0.00 0.00 56.10 54.92 1fr5 s TRP 82 Cb 0.16 0.55 -0.02 0.00 -1.16 0.00 0.00 33.47 33.01 1fr5 s TRP 82 CO 0.76 -0.34 -0.06 1.03 -4.06 0.00 0.00 176.95 174.28 1fr5 s ARG 83 N -2.54 0.45 -0.13 3.25 0.52 -1.26 -0.91 118.95 118.33 1fr5 s ARG 83 Ca 0.13 -0.50 -0.05 0.00 -0.52 0.00 0.00 55.73 54.79 1fr5 s ARG 83 Cb 0.03 -0.30 -0.04 0.00 0.52 0.00 0.00 34.95 35.17 1fr5 s ARG 83 CO -0.03 0.06 0.05 -1.54 0.02 0.00 0.00 175.30 173.86 1fr5 s SER 84 N -0.96 5.55 -0.19 0.23 1.04 0.73 -4.94 113.70 115.16 1fr5 s SER 84 Ca -0.05 0.16 -0.04 0.00 0.48 0.00 0.00 55.95 56.50 1fr5 s SER 84 Cb -0.07 -1.78 -0.02 0.00 0.10 0.00 0.00 66.02 64.26 1fr5 s SER 84 CO 0.00 0.30 -0.04 -0.31 0.98 0.00 0.00 173.24 174.17 1fr5 s TYR 85 N -0.37 2.98 0.03 5.02 1.51 -1.26 -1.56 117.35 123.69 1fr5 s TYR 85 Ca 0.09 -0.65 -0.01 0.00 -1.01 0.00 0.00 57.07 55.49 1fr5 s TYR 85 Cb -0.12 -2.05 -0.04 0.00 -0.11 0.00 0.00 41.96 39.64 1fr5 s TYR 85 CO 0.02 -0.34 0.17 1.41 -1.11 0.00 0.00 175.55 175.71 1fr5 s MET 86 N 1.04 3.35 -0.29 -0.62 1.75 0.86 -4.97 119.30 120.42 1fr5 s MET 86 Ca 0.01 -0.42 0.02 0.00 -1.25 0.00 0.00 55.69 54.04 1fr5 s MET 86 Cb -0.15 -3.01 0.19 0.00 2.84 0.00 0.00 34.83 34.70 1fr5 s MET 86 CO 0.01 0.64 0.56 1.21 -0.65 0.00 0.00 175.02 176.78 1fr5 s ASN 87 N -2.20 -1.17 0.15 1.11 3.04 -1.26 -1.48 114.94 113.13 1fr5 s ASN 87 Ca 0.30 0.45 0.09 0.00 0.04 0.00 0.00 52.86 53.74 1fr5 s ASN 87 Cb -0.13 1.93 -0.04 0.00 -1.54 0.00 0.00 41.25 41.47 1fr5 s ASN 87 CO 0.22 -0.29 -0.21 0.00 -3.04 0.00 0.00 177.10 173.79 1fr5 s MET 88 N 2.79 1.29 -0.19 0.43 0.23 0.26 -4.99 119.30 119.13 1fr5 s MET 88 Ca 0.15 -1.36 0.01 0.00 -1.03 0.00 0.00 55.69 53.46 1fr5 s MET 88 Cb -0.13 -1.49 0.03 0.00 -1.53 0.00 0.00 34.83 31.71 1fr5 s MET 88 CO -0.23 0.32 -0.15 -1.21 -2.03 0.00 0.00 175.02 171.72 1fr5 s GLU 89 N -2.49 2.48 -0.13 3.16 2.02 -1.26 -1.12 118.70 121.36 1fr5 s GLU 89 Ca 0.14 -0.86 -0.03 0.00 0.02 0.00 0.00 54.97 54.25 1fr5 s GLU 89 Cb -0.08 -2.48 -0.03 0.00 0.10 0.00 0.00 34.13 31.64 1fr5 s GLU 89 CO 0.07 -0.33 -0.04 -1.17 0.02 0.00 0.00 175.26 173.80 1fr5 s LEU 90 N 1.33 3.23 -0.06 1.80 2.96 -0.22 -4.98 118.68 122.74 1fr5 s LEU 90 Ca 0.01 -0.10 0.04 0.00 -0.22 0.00 0.00 54.13 53.86 1fr5 s LEU 90 Cb -0.15 -1.76 -0.02 0.00 0.50 0.00 0.00 46.19 44.76 1fr5 s LEU 90 CO -0.10 0.22 -0.18 -0.89 -1.32 0.00 0.00 176.35 174.08 1fr5 s THR 91 N 0.07 2.74 -0.08 3.68 2.01 -1.26 -0.18 115.64 122.63 1fr5 s THR 91 Ca -0.01 -0.83 -0.03 0.00 0.31 0.00 0.00 61.69 61.14 1fr5 s THR 91 Cb -0.14 -2.06 0.04 0.00 0.01 0.00 0.00 72.50 70.35 1fr5 s THR 91 CO 0.03 0.57 0.15 -0.63 -0.69 0.00 0.00 174.62 174.05 1fr5 s ILE 92 N -0.41 -0.21 0.83 1.82 1.01 0.03 -4.98 121.20 119.30 1fr5 s ILE 92 Ca 0.04 0.32 -0.14 0.00 0.00 0.00 0.00 60.65 60.88 1fr5 s ILE 92 Cb -0.12 -0.28 0.05 0.00 0.01 0.00 0.00 42.46 42.12 1fr5 s ILE 92 CO 0.02 0.13 0.85 -2.65 0.00 0.00 0.00 174.94 173.29 1fr5 n PRO 93 N 5.07 0.06 -0.07 2.79 -0.02 -1.26 -1.22 135.00 140.35 1fr5 n PRO 93 Ca -0.09 0.08 -0.05 0.00 -2.02 0.00 0.00 63.50 61.41 1fr5 n PRO 93 Cb 0.50 -2.15 0.14 0.00 -0.02 0.00 0.00 33.50 31.98 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 -0.99 1.26 0.00 -1.45 2.07 -1.58 -2.95 116.25 112.61 1fr5 h VAL 94 Ca -0.45 -1.19 0.00 0.00 0.82 0.00 0.00 66.70 65.88 1fr5 h VAL 94 Cb 1.31 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 1fr5 h VAL 94 CO 0.42 0.40 0.00 0.49 0.02 0.00 0.00 177.57 178.90 1fr5 n PHE 95 N -4.15 0.00 -2.55 1.57 3.72 -1.26 -4.79 117.46 109.99 1fr5 n PHE 95 Ca 0.01 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.99 1fr5 n PHE 95 Cb 0.37 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.89 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 -2.00 3.29 0.64 4.37 0.00 -1.12 -5.02 121.76 121.93 1fr5 s ALA 96 Ca 0.05 0.70 -0.11 0.00 0.00 0.00 0.00 51.96 52.60 1fr5 s ALA 96 Cb 0.02 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.72 1fr5 s ALA 96 CO 0.04 -0.36 1.04 0.95 0.00 0.00 0.00 175.76 177.43 1fr5 s THR 97 N 1.08 4.47 0.52 0.00 -4.23 -1.26 -4.86 115.64 111.36 1fr5 s THR 97 Ca 0.56 0.82 0.20 0.00 -1.18 0.00 0.00 61.69 62.09 1fr5 s THR 97 Cb -0.26 -3.71 0.33 0.00 1.34 0.00 0.00 72.50 70.21 1fr5 s THR 97 CO 0.28 -1.03 2.07 0.78 -0.54 0.00 0.00 174.62 176.19 1fr5 h ASN 98 N -0.39 0.01 -0.65 3.99 -0.26 -1.99 0.25 115.58 116.56 1fr5 h ASN 98 Ca -0.44 0.00 -0.04 0.00 -0.56 0.00 0.00 56.30 55.26 1fr5 h ASN 98 Cb 1.20 -0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 38.43 1fr5 h ASN 98 CO 0.60 0.01 0.25 0.44 -1.06 0.00 0.00 177.43 177.67 1fr5 h ASP 99 N 0.02 0.90 -0.36 5.81 5.19 -2.01 -2.42 116.42 123.55 1fr5 h ASP 99 Ca 0.13 -0.18 -0.02 0.00 -0.62 0.00 0.00 57.03 56.34 1fr5 h ASP 99 Cb 0.48 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.74 1fr5 h ASP 99 CO -0.00 0.84 0.16 0.44 -3.12 0.00 0.00 179.24 177.55 1fr5 h ASP 100 N 0.91 0.48 -0.63 6.45 3.32 -0.87 -2.79 116.42 123.30 1fr5 h ASP 100 Ca 0.21 -0.14 0.11 0.00 0.02 0.00 0.00 57.03 57.23 1fr5 h ASP 100 Cb 0.23 -0.12 -0.08 0.00 0.22 0.00 0.00 39.33 39.57 1fr5 h ASP 100 CO -0.02 0.49 0.20 0.00 -1.72 0.00 0.00 179.24 178.19 1fr5 h ALA 102 N 1.46 -0.64 -0.61 0.00 0.00 -1.18 0.11 119.26 118.39 1fr5 h ALA 102 Ca 0.32 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.30 1fr5 h ALA 102 Cb 0.45 0.93 -0.09 0.00 0.00 0.00 0.00 17.79 19.07 1fr5 h ALA 102 CO -0.35 -0.97 -0.51 1.25 0.00 0.00 0.00 179.25 178.67 1fr5 h LEU 103 N -0.45 -1.77 -0.71 0.00 5.85 -0.95 0.22 115.31 117.50 1fr5 h LEU 103 Ca 0.09 0.25 0.14 0.00 0.84 0.00 0.00 57.88 59.20 1fr5 h LEU 103 Cb 0.62 0.76 -0.13 0.00 0.37 0.00 0.00 40.66 42.28 1fr5 h LEU 103 CO -0.49 -0.28 -0.19 0.40 -0.34 0.00 0.00 178.44 177.54 1fr5 h ILE 104 N -0.18 0.28 -0.28 4.05 2.04 -0.24 0.31 117.51 123.49 1fr5 h ILE 104 Ca 0.10 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.02 1fr5 h ILE 104 Cb 0.45 0.28 -0.06 0.00 -0.74 0.00 0.00 36.82 36.74 1fr5 h ILE 104 CO -0.67 0.00 -0.12 0.58 0.00 0.00 0.00 178.15 177.94 1fr5 h VAL 105 N -0.01 0.62 -0.20 1.67 2.07 0.19 -1.80 116.25 118.78 1fr5 h VAL 105 Ca 0.34 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.91 1fr5 h VAL 105 Cb 0.52 0.62 -0.07 0.00 -1.52 0.00 0.00 31.29 30.84 1fr5 h VAL 105 CO -0.73 0.00 -0.31 0.11 0.02 0.00 0.00 177.57 176.65 1fr5 h LYS 106 N -0.07 -0.33 -0.87 1.57 1.57 0.13 0.53 116.57 119.09 1fr5 h LYS 106 Ca 0.14 0.02 0.20 0.00 -1.87 0.00 0.00 60.65 59.14 1fr5 h LYS 106 Cb 0.29 0.08 -0.16 0.00 0.08 0.00 0.00 32.23 32.51 1fr5 h LYS 106 CO -0.33 -0.22 -0.10 0.00 -0.57 0.00 0.00 179.45 178.24 1fr5 h ALA 107 N 0.54 0.78 0.49 3.86 0.00 -0.34 0.86 119.26 125.45 1fr5 h ALA 107 Ca 0.12 0.31 -0.02 0.00 0.00 0.00 0.00 54.91 55.32 1fr5 h ALA 107 Cb 0.53 0.58 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1fr5 h ALA 107 CO -0.40 -0.45 -0.33 -0.07 0.00 0.00 0.00 179.25 178.01 1fr5 h LEU 108 N 0.03 -0.83 -0.99 0.00 3.38 -0.32 -0.25 115.31 116.32 1fr5 h LEU 108 Ca 0.46 0.05 0.29 0.00 0.09 0.00 0.00 57.88 58.77 1fr5 h LEU 108 Cb 0.81 0.25 -0.18 0.00 0.09 0.00 0.00 40.66 41.62 1fr5 h LEU 108 CO -0.84 -0.49 0.10 1.56 0.09 0.00 0.00 178.44 178.86 1fr5 h GLN 109 N -0.77 0.01 0.34 1.13 4.20 0.67 0.35 115.11 121.04 1fr5 h GLN 109 Ca -0.07 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 1fr5 h GLN 109 Cb 0.63 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.40 1fr5 h GLN 109 CO 0.05 0.01 -0.27 0.78 -0.67 0.00 0.00 178.83 178.72 1fr5 h GLY 110 N 0.01 -0.95 -1.00 3.46 0.00 0.15 0.30 103.07 105.03 1fr5 h GLY 110 Ca 0.64 0.42 0.42 0.00 0.00 0.00 0.00 47.33 48.81 1fr5 h GLY 110 CO -0.90 -0.31 1.09 -0.91 0.00 0.00 0.00 176.54 175.51 1fr5 h THR 111 N -0.60 0.22 0.00 4.70 1.35 0.81 0.28 112.91 119.67 1fr5 h THR 111 Ca -0.04 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.82 1fr5 h THR 111 Cb 0.50 0.23 0.00 0.00 -1.73 0.00 0.00 68.15 67.15 1fr5 h THR 111 CO 0.00 0.00 -0.97 0.49 -0.25 0.00 0.00 175.52 174.79 1fr5 n PHE 112 N -4.00 0.00 -1.61 4.73 3.72 -0.90 -3.55 117.46 115.86 1fr5 n PHE 112 Ca 0.32 0.00 -0.46 0.00 -0.05 0.00 0.00 57.45 57.27 1fr5 n PHE 112 Cb 1.55 -0.05 -0.02 0.00 -0.94 0.00 0.00 39.48 40.02 1fr5 n PHE 112 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1fr5 n LYS 113 N -1.51 1.48 -1.62 -1.08 4.81 0.10 -4.61 118.16 115.73 1fr5 n LYS 113 Ca 0.03 0.52 -0.40 0.00 -0.87 0.00 0.00 58.31 57.59 1fr5 n LYS 113 Cb 0.31 -1.99 0.02 0.00 0.02 0.00 0.00 35.03 33.39 1fr5 n LYS 113 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1fr5 n THR 114 N 0.84 2.81 0.00 3.15 -2.24 -1.26 -1.90 114.28 115.68 1fr5 n THR 114 Ca 0.11 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1fr5 n THR 114 Cb 0.30 -1.19 0.00 0.00 -2.10 0.00 0.00 70.33 67.34 1fr5 n THR 114 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fr5 n GLY 115 N 1.19 2.57 3.79 3.38 0.00 -1.26 -5.02 105.19 109.84 1fr5 n GLY 115 Ca 0.10 -0.28 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 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 0.31 6.57 0.00 1.61 0.01 -0.80 -4.76 114.94 117.88 1fr5 s ASN 116 Ca 0.00 1.99 0.00 0.00 -0.71 0.00 0.00 52.86 54.14 1fr5 s ASN 116 Cb 0.00 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.09 1fr5 s ASN 116 CO 0.00 -0.62 0.48 -2.65 -1.51 0.00 0.00 177.10 172.79 1fr5 n PRO 117 N -0.47 0.00 -0.29 -0.60 -0.02 -1.26 -0.56 135.00 131.80 1fr5 n PRO 117 Ca 0.07 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1fr5 n PRO 117 Cb 0.51 -0.82 0.07 0.00 -0.02 0.00 0.00 33.50 33.24 1fr5 n PRO 117 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1fr5 h ILE 118 N 0.00 0.13 0.20 4.25 2.04 -1.94 0.63 117.51 122.83 1fr5 h ILE 118 Ca 0.00 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.87 1fr5 h ILE 118 Cb 0.00 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.18 1fr5 h ILE 118 CO 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 178.15 177.84 1fr5 h ALA 119 N 1.54 -0.58 0.00 1.87 0.00 -1.25 -2.06 119.26 118.78 1fr5 h ALA 119 Ca 0.35 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 1fr5 h ALA 119 Cb 0.59 0.48 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1fr5 h ALA 119 CO -0.84 -0.87 -0.13 1.79 0.00 0.00 0.00 179.25 179.19 1fr5 h THR 120 N -0.58 0.96 0.53 0.00 1.35 0.90 -2.34 112.91 113.73 1fr5 h THR 120 Ca 0.01 -0.47 -0.03 0.00 -0.55 0.00 0.00 66.41 65.37 1fr5 h THR 120 Cb 0.57 1.26 0.01 0.00 -1.73 0.00 0.00 68.15 68.26 1fr5 h THR 120 CO -0.13 0.13 -0.25 0.00 -0.25 0.00 0.00 175.52 175.02 1fr5 h ALA 121 N 1.87 -1.03 -0.66 6.62 0.00 0.85 -2.99 119.26 123.92 1fr5 h ALA 121 Ca -0.00 -0.16 0.14 0.00 0.00 0.00 0.00 54.91 54.89 1fr5 h ALA 121 Cb 0.25 0.27 -0.11 0.00 0.00 0.00 0.00 17.79 18.20 1fr5 h ALA 121 CO 0.02 -0.97 -0.02 0.82 0.00 0.00 0.00 179.25 179.10 1fr5 h ILE 122 N -0.81 0.44 0.00 0.00 2.04 -1.34 0.17 117.51 118.00 1fr5 h ILE 122 Ca -0.07 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.75 1fr5 h ILE 122 Cb 0.54 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.95 1fr5 h ILE 122 CO 0.12 0.02 0.00 0.00 0.00 0.00 0.00 178.15 178.29 1fr5 n ALA 123 N -2.87 1.45 -0.11 1.87 0.00 -0.89 -1.68 120.51 118.29 1fr5 n ALA 123 Ca 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1fr5 n ALA 123 Cb 0.38 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 1.92 -2.25 0.00 0.00 0.52 -4.94 120.51 114.51 1fr5 n ALA 124 Ca 0.02 -0.91 -0.19 0.00 0.00 0.00 0.00 53.44 52.36 1fr5 n ALA 124 Cb 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.46 1fr5 n ALA 124 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1fr5 n ASN 125 N -0.41 -5.46 -4.53 0.00 4.05 -0.68 -4.94 115.26 103.29 1fr5 n ASN 125 Ca 0.00 0.11 -0.27 0.00 0.45 0.00 0.00 54.58 54.86 1fr5 n ASN 125 Cb 0.26 -4.61 -0.10 0.00 1.23 0.00 0.00 39.78 36.55 1fr5 n ASN 125 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 177.26 173.77 1fr5 s SER 126 N -2.15 4.05 0.00 1.20 0.01 -0.77 -5.03 113.70 111.01 1fr5 s SER 126 Ca 0.00 -0.63 0.00 0.00 1.31 0.00 0.00 55.95 56.63 1fr5 s SER 126 Cb 0.00 -0.61 0.00 0.00 0.21 0.00 0.00 66.02 65.62 1fr5 s SER 126 CO 0.00 0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.38 1fr5 n GLY 127 N 0.20 1.45 3.91 3.44 0.00 -1.26 -3.96 105.19 108.97 1fr5 n GLY 127 Ca -0.12 -1.69 -0.29 0.00 0.00 0.00 0.00 46.02 43.92 1fr5 n GLY 127 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1fr5 s ILE 128 N 1.82 5.25 0.00 -0.61 -1.09 -1.26 -4.80 121.20 120.52 1fr5 s ILE 128 Ca 0.00 -0.55 0.00 0.00 -2.23 0.00 0.00 60.65 57.87 1fr5 s ILE 128 Cb 0.00 -3.61 0.00 0.00 -1.58 0.00 0.00 42.46 37.27 1fr5 s ILE 128 CO 0.00 0.05 0.00 0.00 -1.23 0.00 0.00 174.94 173.76