#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 -0.10 0.00 2.88 -1.26 -5.09 113.62 110.05 1fr5 n SER 2 Ca 0.00 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.33 1fr5 n SER 2 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.34 1fr5 n SER 2 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1fr5 n ASN 3 N 0.00 2.00 -4.53 -3.46 3.02 -1.26 -4.86 115.26 106.18 1fr5 n ASN 3 Ca 0.00 0.03 -0.26 0.00 -0.03 0.00 0.00 54.58 54.31 1fr5 n ASN 3 Cb 0.00 -0.59 -0.12 0.00 -0.61 0.00 0.00 39.78 38.47 1fr5 n ASN 3 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 1fr5 n PHE 4 N -3.50 0.79 -3.90 3.10 -0.00 -1.26 -4.83 117.46 107.85 1fr5 n PHE 4 Ca -0.44 0.10 -0.09 0.00 -0.00 0.00 0.00 57.45 57.02 1fr5 n PHE 4 Cb 0.97 -2.02 -0.07 0.00 -0.00 0.00 0.00 39.48 38.36 1fr5 n PHE 4 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 1fr5 s GLU 5 N 8.29 0.97 0.26 -4.13 2.02 -1.26 -5.00 118.70 119.85 1fr5 s GLU 5 Ca 1.13 -1.06 -0.29 0.00 0.02 0.00 0.00 54.97 54.77 1fr5 s GLU 5 Cb -0.56 0.35 -0.09 0.00 0.10 0.00 0.00 34.13 33.93 1fr5 s GLU 5 CO 0.34 -0.33 1.26 -2.00 0.02 0.00 0.00 175.26 174.55 1fr5 s GLU 6 N -3.91 4.44 0.21 1.61 2.12 -1.26 -4.63 118.70 117.28 1fr5 s GLU 6 Ca 0.10 2.05 -0.07 0.00 0.36 0.00 0.00 54.97 57.41 1fr5 s GLU 6 Cb 0.04 -3.15 -0.02 0.00 0.26 0.00 0.00 34.13 31.26 1fr5 s GLU 6 CO -0.06 -0.12 0.28 -0.59 -0.54 0.00 0.00 175.26 174.22 1fr5 s PHE 7 N -0.61 0.71 -0.40 5.30 -0.71 -0.59 -4.97 117.98 116.70 1fr5 s PHE 7 Ca 0.51 -1.02 -0.18 0.00 -1.04 0.00 0.00 56.93 55.20 1fr5 s PHE 7 Cb -0.36 -0.19 0.01 0.00 -1.21 0.00 0.00 43.02 41.27 1fr5 s PHE 7 CO 0.44 -0.78 0.51 0.08 -1.34 0.00 0.00 175.22 174.13 1fr5 s VAL 8 N -4.07 5.00 -0.00 -2.49 1.01 -1.26 -0.55 120.40 118.04 1fr5 s VAL 8 Ca 0.28 -0.04 -0.20 0.00 0.00 0.00 0.00 61.98 62.02 1fr5 s VAL 8 Cb 0.04 -4.06 -0.24 0.00 0.00 0.00 0.00 36.38 32.12 1fr5 s VAL 8 CO 0.08 -0.40 1.07 0.25 0.00 0.00 0.00 175.10 176.10 1fr5 h LEU 9 N 9.23 0.50 -8.07 3.92 5.85 -0.93 -3.41 115.31 122.39 1fr5 h LEU 9 Ca -0.27 -0.78 -0.67 0.00 0.84 0.00 0.00 57.88 57.00 1fr5 h LEU 9 Cb 1.11 -0.16 -0.33 0.00 0.37 0.00 0.00 40.66 41.66 1fr5 h LEU 9 CO 0.81 1.22 -0.75 -0.69 -0.34 0.00 0.00 178.44 178.69 1fr5 s VAL 10 N -3.12 2.73 -0.97 1.05 1.01 -1.04 -4.97 120.40 115.09 1fr5 s VAL 10 Ca -0.13 -1.20 -0.20 0.00 0.00 0.00 0.00 61.98 60.44 1fr5 s VAL 10 Cb 0.03 -2.45 0.11 0.00 0.00 0.00 0.00 36.38 34.07 1fr5 s VAL 10 CO 0.82 0.11 1.24 -0.62 0.00 0.00 0.00 175.10 176.65 1fr5 s ASP 11 N 1.27 6.62 -0.29 3.32 2.15 -1.26 -1.51 116.67 126.97 1fr5 s ASP 11 Ca -0.02 -1.92 0.03 0.00 0.43 0.00 0.00 52.55 51.06 1fr5 s ASP 11 Cb -0.18 -2.45 0.45 0.00 -0.30 0.00 0.00 42.92 40.44 1fr5 s ASP 11 CO -0.04 -1.18 1.59 0.59 -0.17 0.00 0.00 175.17 175.96 1fr5 n ASN 12 N 7.21 3.53 0.00 -0.34 3.02 -1.26 -4.95 115.26 122.47 1fr5 n ASN 12 Ca 0.28 -3.03 0.00 0.00 -0.03 0.00 0.00 54.58 51.79 1fr5 n ASN 12 Cb 0.49 -0.72 0.00 0.00 -0.61 0.00 0.00 39.78 38.95 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 -0.53 1.67 0.00 7.41 0.00 -1.26 -4.08 105.19 108.40 1fr5 n GLY 13 Ca 0.38 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 0.85 2.90 -0.02 0.00 -1.26 -5.01 105.19 102.65 1fr5 n GLY 14 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1fr5 n GLY 14 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1fr5 s THR 15 N 0.00 1.18 0.00 2.61 -1.32 -1.26 -4.67 115.64 112.19 1fr5 s THR 15 Ca 0.00 -0.71 0.00 0.00 -1.21 0.00 0.00 61.69 59.77 1fr5 s THR 15 Cb 0.00 -1.36 0.00 0.00 -1.51 0.00 0.00 72.50 69.63 1fr5 s THR 15 CO 0.00 0.11 0.00 0.61 -2.21 0.00 0.00 174.62 173.13 1fr5 n GLY 16 N 4.84 0.74 3.59 6.08 0.00 -1.26 -4.84 105.19 114.34 1fr5 n GLY 16 Ca -0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 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 0.00 0.74 -4.25 1.61 8.00 -1.26 -4.77 116.55 116.62 1fr5 n ASP 17 Ca 0.00 0.90 -0.43 0.00 0.71 0.00 0.00 54.79 55.97 1fr5 n ASP 17 Cb 0.00 -1.34 -0.06 0.00 -0.02 0.00 0.00 41.12 39.69 1fr5 n ASP 17 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1fr5 s VAL 18 N -1.44 4.71 0.24 2.53 1.01 -0.57 -4.97 120.40 121.91 1fr5 s VAL 18 Ca 0.69 -1.93 -0.25 0.00 0.00 0.00 0.00 61.98 60.49 1fr5 s VAL 18 Cb -0.48 -4.03 -0.09 0.00 0.00 0.00 0.00 36.38 31.78 1fr5 s VAL 18 CO 0.53 -0.86 0.83 -0.54 0.00 0.00 0.00 175.10 175.06 1fr5 s LYS 19 N 1.09 4.52 0.02 2.72 1.02 -1.26 -0.22 119.74 127.64 1fr5 s LYS 19 Ca 0.08 1.17 0.06 0.00 0.02 0.00 0.00 55.97 57.30 1fr5 s LYS 19 Cb -0.24 -3.03 -0.02 0.00 -0.52 0.00 0.00 37.83 34.02 1fr5 s LYS 19 CO -0.01 0.43 -0.19 0.54 -0.92 0.00 0.00 175.35 175.20 1fr5 s VAL 20 N -1.39 1.53 0.18 3.17 0.11 0.29 -4.47 120.40 119.82 1fr5 s VAL 20 Ca 0.42 -1.05 0.05 0.00 -2.93 0.00 0.00 61.98 58.48 1fr5 s VAL 20 Cb -0.20 -1.32 -0.05 0.00 -1.53 0.00 0.00 36.38 33.28 1fr5 s VAL 20 CO 0.25 0.24 -0.09 0.00 -3.33 0.00 0.00 175.10 172.17 1fr5 s ALA 21 N -0.69 1.64 0.22 1.54 0.00 0.15 -1.55 121.76 123.07 1fr5 s ALA 21 Ca 0.07 -1.58 -0.32 0.00 0.00 0.00 0.00 51.96 50.12 1fr5 s ALA 21 Cb -0.08 0.11 -0.14 0.00 0.00 0.00 0.00 23.12 23.02 1fr5 s ALA 21 CO 0.01 -0.10 1.45 -2.30 0.00 0.00 0.00 175.76 174.82 1fr5 n PRO 22 N -0.28 2.06 0.00 0.00 -0.02 -1.26 0.05 135.00 135.55 1fr5 n PRO 22 Ca -0.09 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 1fr5 n PRO 22 Cb 0.61 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 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 2.47 1.34 -3.60 2.55 3.41 -0.55 -4.81 113.62 114.43 1fr5 n SER 23 Ca 0.13 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.63 1fr5 n SER 23 Cb 0.31 0.16 -0.06 0.00 -0.26 0.00 0.00 64.21 64.35 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 -1.35 -0.47 -0.06 4.04 3.04 -1.25 -5.01 114.94 113.88 1fr5 s ASN 24 Ca 0.00 0.72 0.10 0.00 0.04 0.00 0.00 52.86 53.72 1fr5 s ASN 24 Cb 0.00 0.67 0.16 0.00 -1.54 0.00 0.00 41.25 40.54 1fr5 s ASN 24 CO 0.00 -0.28 1.08 0.33 -3.04 0.00 0.00 177.10 175.18 1fr5 n PHE 25 N 1.54 0.00 -1.68 0.43 7.35 -1.26 -1.25 117.46 122.59 1fr5 n PHE 25 Ca -0.12 -0.51 -0.50 0.00 -0.76 0.00 0.00 57.45 55.56 1fr5 n PHE 25 Cb 0.57 -0.10 -0.05 0.00 0.35 0.00 0.00 39.48 40.24 1fr5 n PHE 25 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1fr5 n ALA 26 N -0.67 0.70 -3.11 3.13 0.00 -1.25 -1.57 120.51 117.73 1fr5 n ALA 26 Ca 0.08 0.33 -0.14 0.00 0.00 0.00 0.00 53.44 53.71 1fr5 n ALA 26 Cb 0.69 -2.42 0.05 0.00 0.00 0.00 0.00 19.45 17.76 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 5.95 -4.18 -3.77 0.00 3.02 -1.26 -2.90 115.26 112.11 1fr5 n ASN 27 Ca 0.22 -0.34 -0.29 0.00 -0.03 0.00 0.00 54.58 54.15 1fr5 n ASN 27 Cb 0.26 -3.28 -0.02 0.00 -0.61 0.00 0.00 39.78 36.13 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 -1.36 -0.46 3.08 7.41 0.00 -0.61 -4.89 105.19 108.35 1fr5 n GLY 28 Ca -0.03 0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.03 2.29 0.05 1.61 1.01 -1.14 -4.72 120.40 116.47 1fr5 s VAL 29 Ca 0.56 -1.68 -0.30 0.00 0.00 0.00 0.00 61.98 60.55 1fr5 s VAL 29 Cb -0.30 -2.38 -0.05 0.00 0.00 0.00 0.00 36.38 33.64 1fr5 s VAL 29 CO 0.68 -0.10 1.14 0.00 0.00 0.00 0.00 175.10 176.82 1fr5 s ALA 30 N 1.10 3.33 0.06 5.51 0.00 -1.07 -3.86 121.76 126.83 1fr5 s ALA 30 Ca -0.06 0.77 0.09 0.00 0.00 0.00 0.00 51.96 52.75 1fr5 s ALA 30 Cb -0.20 -3.41 -0.03 0.00 0.00 0.00 0.00 23.12 19.48 1fr5 s ALA 30 CO -0.05 -0.37 -0.25 -2.00 0.00 0.00 0.00 175.76 173.10 1fr5 s GLU 31 N 0.98 1.60 -0.00 0.00 2.12 -0.38 -1.32 118.70 121.69 1fr5 s GLU 31 Ca 0.56 -1.10 -0.01 0.00 0.36 0.00 0.00 54.97 54.78 1fr5 s GLU 31 Cb -0.27 -1.81 -0.00 0.00 0.26 0.00 0.00 34.13 32.31 1fr5 s GLU 31 CO 0.29 0.46 0.02 -1.58 -0.54 0.00 0.00 175.26 173.91 1fr5 s TRP 32 N -0.86 0.04 0.15 5.30 0.51 0.02 -1.49 118.94 122.62 1fr5 s TRP 32 Ca 0.11 -0.08 -0.05 0.00 -2.12 0.00 0.00 56.10 53.95 1fr5 s TRP 32 Cb -0.10 -0.04 -0.02 0.00 -0.81 0.00 0.00 33.47 32.50 1fr5 s TRP 32 CO 0.03 -0.07 0.18 0.96 -0.51 0.00 0.00 176.95 177.54 1fr5 s ILE 33 N -0.39 0.09 0.78 2.03 -4.36 0.11 -1.25 121.20 118.20 1fr5 s ILE 33 Ca -0.04 -1.62 -0.10 0.00 -0.26 0.00 0.00 60.65 58.63 1fr5 s ILE 33 Cb -0.03 -1.91 0.08 0.00 1.25 0.00 0.00 42.46 41.85 1fr5 s ILE 33 CO -0.00 -0.39 1.12 -0.94 0.24 0.00 0.00 174.94 174.98 1fr5 s SER 34 N -3.00 4.56 -1.40 4.36 1.04 -0.89 0.31 113.70 118.67 1fr5 s SER 34 Ca 0.20 0.63 -0.08 0.00 0.48 0.00 0.00 55.95 57.18 1fr5 s SER 34 Cb 0.05 -1.16 0.07 0.00 0.10 0.00 0.00 66.02 65.08 1fr5 s SER 34 CO 0.00 -1.83 2.37 -0.24 0.98 0.00 0.00 173.24 174.52 1fr5 n SER 35 N -3.19 6.95 -2.24 7.02 2.88 -1.26 -4.80 113.62 118.98 1fr5 n SER 35 Ca 0.08 -2.97 -0.10 0.00 -1.33 0.00 0.00 58.87 54.55 1fr5 n SER 35 Cb 0.61 -1.47 -0.04 0.00 -0.75 0.00 0.00 64.21 62.56 1fr5 n SER 35 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1fr5 n ASN 36 N 3.22 -0.07 -4.77 -3.46 3.02 -1.26 -5.11 115.26 106.83 1fr5 n ASN 36 Ca 0.59 -2.11 -0.36 0.00 -0.03 0.00 0.00 54.58 52.67 1fr5 n ASN 36 Cb 0.29 0.78 -0.00 0.00 -0.61 0.00 0.00 39.78 40.24 1fr5 n ASN 36 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1fr5 s SER 37 N -2.20 5.92 0.53 6.41 1.04 -1.26 -4.78 113.70 119.36 1fr5 s SER 37 Ca 0.18 2.25 0.28 0.00 0.48 0.00 0.00 55.95 59.14 1fr5 s SER 37 Cb 0.01 -2.59 1.42 0.00 0.10 0.00 0.00 66.02 64.96 1fr5 s SER 37 CO 0.13 -1.09 1.94 -0.09 0.98 0.00 0.00 173.24 175.11 1fr5 h ARG 38 N 1.59 0.02 -0.37 4.02 9.65 -1.96 0.20 114.38 127.54 1fr5 h ARG 38 Ca -0.50 -0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.35 1fr5 h ARG 38 Cb 1.26 -0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.82 1fr5 h ARG 38 CO 0.58 0.01 0.10 0.77 2.80 0.00 0.00 179.97 184.24 1fr5 h SER 39 N 0.02 0.55 -0.85 -3.80 0.02 -2.03 -3.14 113.55 104.33 1fr5 h SER 39 Ca 0.34 -0.22 -0.53 0.00 -0.84 0.00 0.00 61.79 60.54 1fr5 h SER 39 Cb 1.33 -0.15 -0.28 0.00 0.14 0.00 0.00 62.40 63.45 1fr5 h SER 39 CO -0.01 0.63 0.40 0.00 -1.14 0.00 0.00 176.83 176.71 1fr5 n GLN 40 N -4.61 2.54 -4.13 3.45 6.02 0.56 -4.96 117.38 116.25 1fr5 n GLN 40 Ca -0.01 -3.32 -0.28 0.00 -0.01 0.00 0.00 57.00 53.38 1fr5 n GLN 40 Cb 0.19 -2.17 -0.07 0.00 1.02 0.00 0.00 30.24 29.21 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 -3.55 3.35 0.20 -1.58 0.00 -0.28 -4.53 121.76 115.37 1fr5 s ALA 41 Ca 0.57 -1.20 -0.21 0.00 0.00 0.00 0.00 51.96 51.11 1fr5 s ALA 41 Cb 0.47 -1.19 -0.08 0.00 0.00 0.00 0.00 23.12 22.31 1fr5 s ALA 41 CO 0.03 0.60 0.73 0.71 0.00 0.00 0.00 175.76 177.83 1fr5 s TYR 42 N -1.54 3.74 0.01 0.00 1.51 -1.26 -4.34 117.35 115.46 1fr5 s TYR 42 Ca 0.28 1.46 0.03 0.00 -1.01 0.00 0.00 57.07 57.83 1fr5 s TYR 42 Cb -0.11 -2.66 -0.01 0.00 -0.11 0.00 0.00 41.96 39.07 1fr5 s TYR 42 CO 0.20 0.41 -0.10 0.21 -1.11 0.00 0.00 175.55 175.15 1fr5 s LYS 43 N -1.67 0.76 -0.07 -0.62 2.20 -0.77 -2.11 119.74 117.47 1fr5 s LYS 43 Ca 0.40 -0.48 -0.03 0.00 -0.36 0.00 0.00 55.97 55.51 1fr5 s LYS 43 Cb -0.19 -0.72 0.04 0.00 -1.51 0.00 0.00 37.83 35.46 1fr5 s LYS 43 CO 0.22 0.19 0.13 0.08 -0.36 0.00 0.00 175.35 175.61 1fr5 s VAL 44 N -0.50 -0.17 0.10 4.02 1.01 -0.38 -0.28 120.40 124.20 1fr5 s VAL 44 Ca 0.01 0.32 0.09 0.00 0.00 0.00 0.00 61.98 62.40 1fr5 s VAL 44 Cb -0.05 -0.24 -0.03 0.00 0.00 0.00 0.00 36.38 36.05 1fr5 s VAL 44 CO 0.00 0.13 -0.22 0.42 0.00 0.00 0.00 175.10 175.43 1fr5 s THR 45 N 1.92 1.80 -0.19 3.92 -4.23 0.79 -0.80 115.64 118.84 1fr5 s THR 45 Ca -0.00 -1.55 -0.14 0.00 -1.18 0.00 0.00 61.69 58.82 1fr5 s THR 45 Cb -0.12 -1.62 0.06 0.00 1.34 0.00 0.00 72.50 72.16 1fr5 s THR 45 CO -0.05 -0.01 0.48 0.00 -0.54 0.00 0.00 174.62 174.50 1fr5 s SER 47 N 0.89 -0.51 0.28 0.00 1.04 -0.87 -2.59 113.70 111.94 1fr5 s SER 47 Ca -0.05 0.93 0.07 0.00 0.48 0.00 0.00 55.95 57.38 1fr5 s SER 47 Cb -0.06 0.95 -0.03 0.00 0.10 0.00 0.00 66.02 66.98 1fr5 s SER 47 CO -0.07 -0.22 0.26 -0.69 0.98 0.00 0.00 173.24 173.50 1fr5 s VAL 48 N 0.07 4.31 -0.29 5.02 1.01 -1.26 -0.55 120.40 128.70 1fr5 s VAL 48 Ca -0.02 -1.31 -0.24 0.00 0.00 0.00 0.00 61.98 60.41 1fr5 s VAL 48 Cb -0.03 -3.41 0.18 0.00 0.00 0.00 0.00 36.38 33.11 1fr5 s VAL 48 CO 0.01 -0.29 1.34 0.00 0.00 0.00 0.00 175.10 176.17 1fr5 s ARG 49 N -3.92 0.15 -0.49 2.72 1.70 -1.13 -5.00 118.95 112.97 1fr5 s ARG 49 Ca 0.36 0.18 -0.25 0.00 -0.47 0.00 0.00 55.73 55.55 1fr5 s ARG 49 Cb -0.08 0.07 0.03 0.00 -0.57 0.00 0.00 34.95 34.40 1fr5 s ARG 49 CO 0.26 -0.02 0.96 -1.14 -1.08 0.00 0.00 175.30 174.28 1fr5 s GLN 50 N 0.17 3.49 0.00 3.89 0.74 -1.26 -1.61 119.66 125.08 1fr5 s GLN 50 Ca 0.05 0.08 0.00 0.00 0.05 0.00 0.00 55.36 55.54 1fr5 s GLN 50 Cb -0.05 -3.96 0.00 0.00 1.10 0.00 0.00 33.01 30.10 1fr5 s GLN 50 CO -0.13 -1.33 0.00 -1.13 -0.55 0.00 0.00 175.29 172.14 1fr5 n SER 51 N 7.37 0.00 -4.73 6.67 3.41 -0.99 -4.92 113.62 120.43 1fr5 n SER 51 Ca 0.05 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.36 1fr5 n SER 51 Cb 0.48 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.56 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 -1.06 3.76 0.00 4.04 0.15 -1.23 -4.85 113.70 114.51 1fr5 s SER 52 Ca 0.00 1.70 0.12 0.00 0.70 0.00 0.00 55.95 58.46 1fr5 s SER 52 Cb 0.00 -2.36 0.70 0.00 -1.71 0.00 0.00 66.02 62.65 1fr5 s SER 52 CO 0.00 -2.49 1.28 0.00 1.20 0.00 0.00 173.24 173.23 1fr5 n ALA 53 N -3.80 2.34 0.03 5.45 0.00 -1.26 -2.96 120.51 120.31 1fr5 n ALA 53 Ca 0.08 -0.07 0.01 0.00 0.00 0.00 0.00 53.44 53.46 1fr5 n ALA 53 Cb 0.54 -1.19 -0.01 0.00 0.00 0.00 0.00 19.45 18.79 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 -0.74 2.78 -4.08 0.00 3.02 -1.26 -4.95 115.26 110.03 1fr5 n ASN 54 Ca 0.09 -0.22 -0.09 0.00 -0.03 0.00 0.00 54.58 54.33 1fr5 n ASN 54 Cb 0.04 1.05 -0.10 0.00 -0.61 0.00 0.00 39.78 40.15 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 -1.77 0.63 0.17 6.41 0.01 -1.16 -0.36 114.94 118.86 1fr5 s ASN 55 Ca -0.00 -0.81 0.08 0.00 -0.71 0.00 0.00 52.86 51.42 1fr5 s ASN 55 Cb 0.01 0.13 -0.04 0.00 0.41 0.00 0.00 41.25 41.76 1fr5 s ASN 55 CO 0.07 -0.44 -0.06 -0.13 -1.51 0.00 0.00 177.10 175.04 1fr5 s ARG 56 N -2.94 2.21 -0.18 -0.60 0.52 -0.25 -2.34 118.95 115.37 1fr5 s ARG 56 Ca -0.00 -1.17 -0.01 0.00 -0.52 0.00 0.00 55.73 54.03 1fr5 s ARG 56 Cb 0.00 -2.26 0.05 0.00 0.52 0.00 0.00 34.95 33.26 1fr5 s ARG 56 CO -0.05 0.45 -0.03 0.15 0.02 0.00 0.00 175.30 175.85 1fr5 s LYS 57 N -2.79 1.22 0.16 3.54 1.02 -0.64 -0.45 119.74 121.80 1fr5 s LYS 57 Ca 0.25 -0.54 -0.18 0.00 0.02 0.00 0.00 55.97 55.53 1fr5 s LYS 57 Cb -0.09 -2.07 -0.07 0.00 -0.52 0.00 0.00 37.83 35.07 1fr5 s LYS 57 CO 0.16 -0.51 0.62 0.71 -0.92 0.00 0.00 175.35 175.42 1fr5 s TYR 58 N 1.67 3.68 -0.30 3.18 2.02 0.41 -2.83 117.35 125.18 1fr5 s TYR 58 Ca -0.01 1.25 -0.01 0.00 -0.37 0.00 0.00 57.07 57.94 1fr5 s TYR 58 Cb -0.16 -2.50 0.09 0.00 -0.40 0.00 0.00 41.96 38.99 1fr5 s TYR 58 CO -0.07 0.44 0.08 0.99 -1.57 0.00 0.00 175.55 175.42 1fr5 s THR 59 N -1.38 0.93 -0.09 -0.71 2.01 0.29 -0.38 115.64 116.30 1fr5 s THR 59 Ca 0.37 -1.36 -0.03 0.00 0.31 0.00 0.00 61.69 60.99 1fr5 s THR 59 Cb -0.17 -1.66 -0.03 0.00 0.01 0.00 0.00 72.50 70.64 1fr5 s THR 59 CO 0.20 -0.61 0.03 -0.69 -0.69 0.00 0.00 174.62 172.86 1fr5 s VAL 60 N 1.60 4.54 -0.03 3.82 1.01 -0.13 -2.05 120.40 129.15 1fr5 s VAL 60 Ca 0.08 -0.16 0.01 0.00 0.00 0.00 0.00 61.98 61.91 1fr5 s VAL 60 Cb -0.17 -2.93 0.02 0.00 0.00 0.00 0.00 36.38 33.30 1fr5 s VAL 60 CO -0.22 0.60 -0.03 -0.54 0.00 0.00 0.00 175.10 174.91 1fr5 s LYS 61 N -0.87 0.54 -0.08 2.72 1.02 -0.11 0.19 119.74 123.15 1fr5 s LYS 61 Ca 0.13 -0.05 0.02 0.00 0.02 0.00 0.00 55.97 56.09 1fr5 s LYS 61 Cb -0.11 -0.61 0.01 0.00 -0.52 0.00 0.00 37.83 36.60 1fr5 s LYS 61 CO 0.03 -0.06 -0.13 0.08 -0.92 0.00 0.00 175.35 174.34 1fr5 s VAL 62 N 0.74 1.26 -0.12 3.17 1.01 -1.03 -0.15 120.40 125.29 1fr5 s VAL 62 Ca -0.09 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 1fr5 s VAL 62 Cb -0.12 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 35.09 1fr5 s VAL 62 CO -0.01 0.38 -0.10 -1.61 0.00 0.00 0.00 175.10 173.77 1fr5 s GLU 63 N 0.74 3.28 -0.12 2.72 2.02 0.61 -0.78 118.70 127.17 1fr5 s GLU 63 Ca -0.13 -0.62 0.03 0.00 0.02 0.00 0.00 54.97 54.27 1fr5 s GLU 63 Cb -0.16 -2.68 0.01 0.00 0.10 0.00 0.00 34.13 31.40 1fr5 s GLU 63 CO 0.03 0.33 -0.21 0.08 0.02 0.00 0.00 175.26 175.51 1fr5 s VAL 64 N 0.07 1.93 0.55 2.63 1.01 -0.30 -1.85 120.40 124.45 1fr5 s VAL 64 Ca -0.03 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.05 1fr5 s VAL 64 Cb -0.14 -1.70 0.03 0.00 0.00 0.00 0.00 36.38 34.57 1fr5 s VAL 64 CO 0.04 0.53 0.78 -2.16 0.00 0.00 0.00 175.10 174.28 1fr5 s PRO 65 N 0.74 2.54 -0.08 2.72 0.04 -1.26 -0.37 135.00 139.33 1fr5 s PRO 65 Ca -0.10 -0.76 -0.00 0.00 0.04 0.00 0.00 61.00 60.17 1fr5 s PRO 65 Cb -0.16 -2.48 0.03 0.00 0.04 0.00 0.00 34.50 31.93 1fr5 s PRO 65 CO 0.01 -0.72 -0.04 0.21 0.04 0.00 0.00 177.00 176.50 1fr5 s LYS 66 N -4.77 0.97 0.17 4.56 2.47 -1.26 -4.90 119.74 116.97 1fr5 s LYS 66 Ca 0.57 -0.06 0.07 0.00 -1.56 0.00 0.00 55.97 54.99 1fr5 s LYS 66 Cb -0.10 -1.14 -0.04 0.00 -1.46 0.00 0.00 37.83 35.08 1fr5 s LYS 66 CO 0.39 -0.23 0.03 0.14 0.16 0.00 0.00 175.35 175.83 1fr5 s VAL 67 N 1.62 3.89 0.24 4.02 -7.23 -1.26 -4.84 120.40 116.85 1fr5 s VAL 67 Ca 0.01 -1.35 0.00 0.00 -1.81 0.00 0.00 61.98 58.83 1fr5 s VAL 67 Cb -0.13 -2.96 0.00 0.00 0.56 0.00 0.00 36.38 33.85 1fr5 s VAL 67 CO -0.05 -0.11 0.00 0.00 -0.31 0.00 0.00 175.10 174.63 1fr5 n ALA 68 N -0.17 0.00 -0.32 1.32 0.00 -1.26 -5.26 120.51 114.81 1fr5 n ALA 68 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1fr5 n ALA 68 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 1fr5 n ALA 68 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1fr5 n TRP 82 N -2.98 -0.04 -2.70 0.00 7.02 -1.26 -5.35 117.44 112.13 1fr5 n TRP 82 Ca 0.00 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.13 1fr5 n TRP 82 Cb 0.00 0.01 -0.06 0.00 -2.42 0.00 0.00 31.31 28.84 1fr5 n TRP 82 CO 0.00 0.00 0.00 -0.98 -2.02 0.00 0.00 177.69 174.69 1fr5 s ARG 83 N -0.68 4.19 -0.04 -0.99 1.70 -1.26 -4.19 118.95 117.68 1fr5 s ARG 83 Ca 0.00 1.29 -0.01 0.00 -0.47 0.00 0.00 55.73 56.54 1fr5 s ARG 83 Cb 0.00 -2.35 -0.04 0.00 -0.57 0.00 0.00 34.95 32.00 1fr5 s ARG 83 CO 0.00 -0.08 0.03 -1.54 -1.08 0.00 0.00 175.30 172.63 1fr5 s SER 84 N -1.91 5.39 -0.02 -2.89 1.04 0.50 -4.92 113.70 110.89 1fr5 s SER 84 Ca 0.60 0.11 0.00 0.00 0.48 0.00 0.00 55.95 57.14 1fr5 s SER 84 Cb -0.15 -1.51 -0.04 0.00 0.10 0.00 0.00 66.02 64.43 1fr5 s SER 84 CO 0.19 0.32 0.02 -0.31 0.98 0.00 0.00 173.24 174.44 1fr5 s TYR 85 N -1.05 3.15 0.06 5.02 1.51 -1.26 -1.14 117.35 123.64 1fr5 s TYR 85 Ca 0.18 0.14 0.09 0.00 -1.01 0.00 0.00 57.07 56.47 1fr5 s TYR 85 Cb -0.12 -1.71 -0.03 0.00 -0.11 0.00 0.00 41.96 39.99 1fr5 s TYR 85 CO 0.08 0.49 -0.24 1.41 -1.11 0.00 0.00 175.55 176.18 1fr5 s MET 86 N -1.44 1.79 -0.26 -0.62 1.75 0.04 -4.99 119.30 115.57 1fr5 s MET 86 Ca 0.19 -1.13 -0.02 0.00 -1.25 0.00 0.00 55.69 53.48 1fr5 s MET 86 Cb -0.12 -2.02 0.13 0.00 2.84 0.00 0.00 34.83 35.66 1fr5 s MET 86 CO 0.09 0.50 0.33 1.21 -0.65 0.00 0.00 175.02 176.51 1fr5 s ASN 87 N -1.50 0.83 0.04 1.11 3.84 -1.26 -2.45 114.94 115.55 1fr5 s ASN 87 Ca 0.13 -0.21 0.08 0.00 0.21 0.00 0.00 52.86 53.07 1fr5 s ASN 87 Cb -0.10 0.83 -0.03 0.00 -0.55 0.00 0.00 41.25 41.40 1fr5 s ASN 87 CO 0.04 -0.34 -0.22 -0.32 -2.79 0.00 0.00 177.10 173.48 1fr5 s MET 88 N 2.46 1.96 -0.21 0.43 -2.45 0.13 -5.01 119.30 116.61 1fr5 s MET 88 Ca 0.10 -1.03 0.01 0.00 -1.25 0.00 0.00 55.69 53.52 1fr5 s MET 88 Cb -0.15 -2.10 0.05 0.00 1.25 0.00 0.00 34.83 33.88 1fr5 s MET 88 CO -0.22 0.53 -0.08 -1.21 1.05 0.00 0.00 175.02 175.09 1fr5 s GLU 89 N -1.34 1.80 -0.29 4.11 2.02 -1.26 -0.96 118.70 122.78 1fr5 s GLU 89 Ca 0.13 -0.86 -0.07 0.00 0.02 0.00 0.00 54.97 54.19 1fr5 s GLU 89 Cb -0.10 -2.43 -0.00 0.00 0.10 0.00 0.00 34.13 31.70 1fr5 s GLU 89 CO 0.04 -0.49 0.08 -1.17 0.02 0.00 0.00 175.26 173.74 1fr5 s LEU 90 N 1.42 3.78 -0.26 1.80 2.96 0.49 -4.95 118.68 123.93 1fr5 s LEU 90 Ca -0.03 -0.58 -0.13 0.00 -0.22 0.00 0.00 54.13 53.17 1fr5 s LEU 90 Cb -0.17 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.58 1fr5 s LEU 90 CO -0.07 -0.16 0.30 -0.89 -1.32 0.00 0.00 176.35 174.21 1fr5 s THR 91 N 1.54 5.24 -0.18 3.68 2.01 -1.26 -0.45 115.64 126.22 1fr5 s THR 91 Ca 0.04 0.43 -0.00 0.00 0.31 0.00 0.00 61.69 62.47 1fr5 s THR 91 Cb -0.17 -3.63 0.04 0.00 0.01 0.00 0.00 72.50 68.76 1fr5 s THR 91 CO 0.03 0.22 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.50 1fr5 s ILE 92 N 1.71 1.22 0.76 1.82 1.01 0.40 -4.94 121.20 123.18 1fr5 s ILE 92 Ca 0.13 -0.73 -0.16 0.00 0.00 0.00 0.00 60.65 59.89 1fr5 s ILE 92 Cb -0.15 -1.39 -0.05 0.00 0.01 0.00 0.00 42.46 40.89 1fr5 s ILE 92 CO 0.09 0.12 0.34 -2.65 0.00 0.00 0.00 174.94 172.84 1fr5 n PRO 93 N 4.83 0.16 0.06 2.79 -0.02 -1.26 -1.10 135.00 140.46 1fr5 n PRO 93 Ca -0.12 0.09 0.01 0.00 -2.02 0.00 0.00 63.50 61.46 1fr5 n PRO 93 Cb 0.47 -1.70 0.34 0.00 -0.02 0.00 0.00 33.50 32.60 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 -0.58 1.19 0.00 -1.45 2.07 -1.04 -2.89 116.25 113.54 1fr5 h VAL 94 Ca -0.45 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.29 1fr5 h VAL 94 Cb 1.34 1.07 0.00 0.00 -1.52 0.00 0.00 31.29 32.18 1fr5 h VAL 94 CO 0.39 0.26 0.00 0.49 0.02 0.00 0.00 177.57 178.73 1fr5 n PHE 95 N -4.28 0.00 -1.85 1.57 3.72 -1.26 -4.84 117.46 110.52 1fr5 n PHE 95 Ca 0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 1fr5 n PHE 95 Cb 0.26 -0.27 -0.03 0.00 -0.94 0.00 0.00 39.48 38.50 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 -2.54 3.73 0.79 4.37 0.00 -1.09 -4.98 121.76 122.05 1fr5 s ALA 96 Ca 0.14 1.32 -0.12 0.00 0.00 0.00 0.00 51.96 53.31 1fr5 s ALA 96 Cb 0.10 -3.71 0.07 0.00 0.00 0.00 0.00 23.12 19.58 1fr5 s ALA 96 CO 0.22 -1.09 1.13 0.95 0.00 0.00 0.00 175.76 176.97 1fr5 s THR 97 N 2.41 2.70 0.11 0.00 -4.23 -1.26 -4.83 115.64 110.54 1fr5 s THR 97 Ca 0.76 0.23 -0.21 0.00 -1.18 0.00 0.00 61.69 61.28 1fr5 s THR 97 Cb -0.43 -3.13 -0.07 0.00 1.34 0.00 0.00 72.50 70.21 1fr5 s THR 97 CO 0.33 -0.30 1.71 0.78 -0.54 0.00 0.00 174.62 176.61 1fr5 h ASN 98 N -1.01 -0.15 -0.75 3.99 4.21 -2.00 -0.66 115.58 119.20 1fr5 h ASN 98 Ca -0.47 0.04 0.14 0.00 1.21 0.00 0.00 56.30 57.23 1fr5 h ASN 98 Cb 1.29 0.09 -0.10 0.00 -1.12 0.00 0.00 38.32 38.49 1fr5 h ASN 98 CO 0.63 -0.06 0.29 0.44 -1.29 0.00 0.00 177.43 177.44 1fr5 h ASP 99 N -0.03 0.26 -0.02 5.81 3.32 -2.00 -0.95 116.42 122.80 1fr5 h ASP 99 Ca 0.06 0.11 0.03 0.00 0.02 0.00 0.00 57.03 57.25 1fr5 h ASP 99 Cb 0.12 0.09 -0.05 0.00 0.22 0.00 0.00 39.33 39.71 1fr5 h ASP 99 CO -0.13 0.09 -0.30 0.44 -1.72 0.00 0.00 179.24 177.62 1fr5 h ASP 100 N 0.43 -0.91 -0.87 6.45 3.32 -1.50 -1.52 116.42 121.82 1fr5 h ASP 100 Ca 0.41 0.12 0.14 0.00 0.02 0.00 0.00 57.03 57.72 1fr5 h ASP 100 Cb 0.63 0.37 -0.09 0.00 0.22 0.00 0.00 39.33 40.46 1fr5 h ASP 100 CO -0.41 -0.36 0.48 0.00 -1.72 0.00 0.00 179.24 177.22 1fr5 h ALA 102 N 1.55 0.83 0.15 0.00 0.00 -0.53 0.14 119.26 121.41 1fr5 h ALA 102 Ca 0.47 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.56 1fr5 h ALA 102 Cb 0.61 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 1fr5 h ALA 102 CO -0.34 -0.36 -0.34 1.25 0.00 0.00 0.00 179.25 179.47 1fr5 h LEU 103 N 0.21 -1.00 -0.92 0.00 5.85 -0.39 -1.52 115.31 117.55 1fr5 h LEU 103 Ca 0.39 0.10 0.18 0.00 0.84 0.00 0.00 57.88 59.39 1fr5 h LEU 103 Cb 0.65 0.36 -0.17 0.00 0.37 0.00 0.00 40.66 41.86 1fr5 h LEU 103 CO -0.52 -0.38 -0.23 -0.38 -0.34 0.00 0.00 178.44 176.58 1fr5 n ILE 104 N -4.40 -0.39 0.33 4.05 5.41 0.30 -0.03 119.36 124.64 1fr5 n ILE 104 Ca -0.06 2.10 -0.18 0.00 1.00 0.00 0.00 62.75 65.60 1fr5 n ILE 104 Cb 0.28 -2.90 -0.10 0.00 -0.71 0.00 0.00 39.64 36.21 1fr5 n ILE 104 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 1fr5 h VAL 105 N 0.00 0.00 -0.98 1.39 2.07 -0.31 -1.93 116.25 116.49 1fr5 h VAL 105 Ca 0.44 0.00 0.37 0.00 0.82 0.00 0.00 66.70 68.33 1fr5 h VAL 105 Cb 0.66 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 30.26 1fr5 h VAL 105 CO -0.94 0.00 0.38 0.29 0.02 0.00 0.00 177.57 177.32 1fr5 n LYS 106 N -5.45 -0.06 0.01 1.57 5.02 0.95 0.11 118.16 120.31 1fr5 n LYS 106 Ca -0.13 1.38 -0.11 0.00 -2.02 0.00 0.00 58.31 57.44 1fr5 n LYS 106 Cb 0.46 -2.40 -0.06 0.00 -0.02 0.00 0.00 35.03 33.02 1fr5 n LYS 106 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1fr5 h ALA 107 N 1.96 0.09 -0.08 7.82 0.00 -0.52 0.70 119.26 129.24 1fr5 h ALA 107 Ca 0.76 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.70 1fr5 h ALA 107 Cb 1.92 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.66 1fr5 h ALA 107 CO -0.80 -0.42 -0.09 -0.07 0.00 0.00 0.00 179.25 177.87 1fr5 h LEU 108 N 0.09 -0.28 -0.78 0.00 3.38 0.13 0.32 115.31 118.17 1fr5 h LEU 108 Ca 0.03 0.05 0.18 0.00 0.09 0.00 0.00 57.88 58.24 1fr5 h LEU 108 Cb -0.00 0.13 -0.13 0.00 0.09 0.00 0.00 40.66 40.75 1fr5 h LEU 108 CO -0.02 -0.12 0.06 1.56 0.09 0.00 0.00 178.44 180.01 1fr5 h GLN 109 N -0.12 0.13 0.51 1.13 4.20 -0.53 -1.14 115.11 119.30 1fr5 h GLN 109 Ca 0.06 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.74 1fr5 h GLN 109 Cb 0.21 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.96 1fr5 h GLN 109 CO -0.15 0.09 -0.25 0.78 -0.67 0.00 0.00 178.83 178.63 1fr5 h GLY 110 N 0.14 -0.74 -1.21 3.46 0.00 0.28 -0.74 103.07 104.25 1fr5 h GLY 110 Ca 0.44 0.28 0.46 0.00 0.00 0.00 0.00 47.33 48.51 1fr5 h GLY 110 CO -0.66 -0.27 1.16 -0.91 0.00 0.00 0.00 176.54 175.87 1fr5 h THR 111 N -0.69 0.18 -0.01 4.70 1.35 0.71 -1.23 112.91 117.92 1fr5 h THR 111 Ca -0.07 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 1fr5 h THR 111 Cb 0.53 0.18 0.00 0.00 -1.73 0.00 0.00 68.15 67.14 1fr5 h THR 111 CO 0.11 0.00 -0.47 0.49 -0.25 0.00 0.00 175.52 175.41 1fr5 n PHE 112 N -3.99 0.00 -1.71 4.73 3.72 -0.75 -3.97 117.46 115.49 1fr5 n PHE 112 Ca 0.35 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.34 1fr5 n PHE 112 Cb 1.65 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 40.21 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 -0.55 1.92 -1.66 -1.08 4.81 -0.32 -4.64 118.16 116.64 1fr5 n LYS 113 Ca 0.05 0.69 -0.42 0.00 -0.87 0.00 0.00 58.31 57.76 1fr5 n LYS 113 Cb 0.30 -2.41 0.01 0.00 0.02 0.00 0.00 35.03 32.95 1fr5 n LYS 113 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1fr5 n THR 114 N -0.29 2.36 -0.25 3.15 -1.04 -1.26 -1.89 114.28 115.06 1fr5 n THR 114 Ca 0.07 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.58 1fr5 n THR 114 Cb 0.40 -1.37 0.00 0.00 -1.82 0.00 0.00 70.33 67.55 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 0.97 1.07 3.53 3.41 0.00 -1.26 -5.01 105.19 107.91 1fr5 n GLY 115 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.98 5.10 0.00 1.61 0.01 -0.79 -4.85 114.94 113.04 1fr5 s ASN 116 Ca 0.00 -0.07 0.00 0.00 -0.71 0.00 0.00 52.86 52.08 1fr5 s ASN 116 Cb 0.00 -1.86 0.00 0.00 0.41 0.00 0.00 41.25 39.80 1fr5 s ASN 116 CO 0.00 0.15 0.00 -2.65 -1.51 0.00 0.00 177.10 173.09 1fr5 n PRO 117 N 3.71 0.00 -0.19 -0.60 -0.02 -1.26 0.11 135.00 136.75 1fr5 n PRO 117 Ca -0.17 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.24 1fr5 n PRO 117 Cb 0.52 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.98 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 0.06 4.25 2.04 -1.95 1.52 117.51 123.56 1fr5 h ILE 118 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1fr5 h ILE 118 Cb 0.00 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.20 1fr5 h ILE 118 CO 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 178.15 177.94 1fr5 h ALA 119 N 0.74 -0.75 -0.96 1.87 0.00 0.59 -1.14 119.26 119.62 1fr5 h ALA 119 Ca 0.19 -0.05 0.23 0.00 0.00 0.00 0.00 54.91 55.29 1fr5 h ALA 119 Cb 0.56 0.61 -0.07 0.00 0.00 0.00 0.00 17.79 18.89 1fr5 h ALA 119 CO -0.66 -0.79 0.64 1.79 0.00 0.00 0.00 179.25 180.23 1fr5 h THR 120 N -0.31 0.61 0.74 0.00 1.35 -0.35 -0.83 112.91 114.13 1fr5 h THR 120 Ca -0.00 -0.12 -0.04 0.00 -0.55 0.00 0.00 66.41 65.70 1fr5 h THR 120 Cb 0.30 0.23 0.01 0.00 -1.73 0.00 0.00 68.15 66.96 1fr5 h THR 120 CO -0.11 0.06 -0.36 0.00 -0.25 0.00 0.00 175.52 174.87 1fr5 h ALA 121 N 1.60 -1.17 -0.40 6.62 0.00 0.30 -1.89 119.26 124.33 1fr5 h ALA 121 Ca 0.51 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 55.28 1fr5 h ALA 121 Cb 1.37 0.39 -0.08 0.00 0.00 0.00 0.00 17.79 19.47 1fr5 h ALA 121 CO -0.19 -1.09 -0.13 0.82 0.00 0.00 0.00 179.25 178.66 1fr5 h ILE 122 N -1.08 0.54 -0.22 0.00 2.04 -0.79 -0.13 117.51 117.87 1fr5 h ILE 122 Ca -0.10 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.82 1fr5 h ILE 122 Cb 0.77 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 1fr5 h ILE 122 CO 0.17 0.00 0.32 0.00 0.00 0.00 0.00 178.15 178.64 1fr5 h ALA 123 N 1.32 1.77 -0.37 1.87 0.00 -1.05 0.36 119.26 123.15 1fr5 h ALA 123 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1fr5 h ALA 123 Cb 0.34 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1fr5 h ALA 123 CO -0.43 -0.44 0.00 0.00 0.00 0.00 0.00 179.25 178.38 1fr5 n ALA 124 N -2.21 2.37 -3.48 0.00 0.00 -0.25 -4.92 120.51 112.02 1fr5 n ALA 124 Ca 0.03 -1.00 -0.21 0.00 0.00 0.00 0.00 53.44 52.25 1fr5 n ALA 124 Cb 0.45 -0.72 0.07 0.00 0.00 0.00 0.00 19.45 19.25 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 1.20 -5.89 -4.36 0.00 4.05 0.13 -4.97 115.26 105.42 1fr5 n ASN 125 Ca 0.17 -0.49 -0.18 0.00 0.45 0.00 0.00 54.58 54.53 1fr5 n ASN 125 Cb 0.53 -4.58 -0.10 0.00 1.23 0.00 0.00 39.78 36.85 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 -3.31 2.15 0.00 1.20 0.01 -0.22 -5.02 113.70 108.51 1fr5 s SER 126 Ca 0.52 -1.19 0.00 0.00 1.31 0.00 0.00 55.95 56.59 1fr5 s SER 126 Cb -0.23 -0.05 0.00 0.00 0.21 0.00 0.00 66.02 65.95 1fr5 s SER 126 CO 0.66 -0.43 0.00 0.61 0.41 0.00 0.00 173.24 174.48 1fr5 n GLY 127 N -0.45 1.24 3.59 3.44 0.00 -1.26 -4.07 105.19 107.68 1fr5 n GLY 127 Ca -0.06 -1.81 -0.34 0.00 0.00 0.00 0.00 46.02 43.81 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 1.57 4.57 0.00 -0.61 -1.09 -1.26 -4.84 121.20 119.55 1fr5 s ILE 128 Ca 0.00 -0.11 0.00 0.00 -2.23 0.00 0.00 60.65 58.31 1fr5 s ILE 128 Cb 0.00 -3.06 0.00 0.00 -1.58 0.00 0.00 42.46 37.82 1fr5 s ILE 128 CO 0.00 0.46 0.16 0.00 -1.23 0.00 0.00 174.94 174.33