#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1frs n SER 2 N 0.00 0.00 0.00 0.00 2.88 -1.26 -5.05 113.62 110.19 1frs n SER 2 Ca 0.00 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.66 1frs n SER 2 Cb 0.00 0.00 0.63 0.00 -0.75 0.00 0.00 64.21 64.09 1frs n SER 2 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1frs n ASN 3 N 0.00 0.00 -4.55 -3.46 0.23 -1.26 -4.62 115.26 101.60 1frs n ASN 3 Ca 0.00 -0.04 -0.37 0.00 -0.53 0.00 0.00 54.58 53.64 1frs n ASN 3 Cb 0.00 -0.30 -0.03 0.00 -2.08 0.00 0.00 39.78 37.37 1frs n ASN 3 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 1frs s PHE 4 N -2.59 1.67 0.06 -2.53 2.19 -1.26 -4.91 117.98 110.61 1frs s PHE 4 Ca 0.23 0.77 -0.07 0.00 0.33 0.00 0.00 56.93 58.19 1frs s PHE 4 Cb 0.17 -4.09 -0.01 0.00 -1.31 0.00 0.00 43.02 37.79 1frs s PHE 4 CO 0.39 -2.25 0.14 -2.00 1.83 0.00 0.00 175.22 173.33 1frs s GLU 5 N 7.04 0.73 0.54 10.12 2.12 -1.26 -4.98 118.70 133.01 1frs s GLU 5 Ca 0.67 -0.88 -0.17 0.00 0.36 0.00 0.00 54.97 54.95 1frs s GLU 5 Cb -0.12 0.29 -0.06 0.00 0.26 0.00 0.00 34.13 34.50 1frs s GLU 5 CO 0.18 -0.21 1.04 -1.83 -0.54 0.00 0.00 175.26 173.90 1frs s GLU 6 N -3.35 3.59 0.32 4.30 -1.05 -1.26 -4.71 118.70 116.54 1frs s GLU 6 Ca 0.01 1.22 -0.15 0.00 -0.15 0.00 0.00 54.97 55.90 1frs s GLU 6 Cb 0.03 -2.07 0.03 0.00 -0.44 0.00 0.00 34.13 31.67 1frs s GLU 6 CO -0.08 -0.59 0.67 -0.59 0.95 0.00 0.00 175.26 175.62 1frs s PHE 7 N -2.31 0.22 -0.26 4.83 -0.71 -0.82 -4.99 117.98 113.94 1frs s PHE 7 Ca 0.64 -0.71 -0.09 0.00 -1.04 0.00 0.00 56.93 55.73 1frs s PHE 7 Cb -0.15 0.55 -0.03 0.00 -1.21 0.00 0.00 43.02 42.17 1frs s PHE 7 CO 0.30 -1.31 0.12 0.54 -1.34 0.00 0.00 175.22 173.53 1frs s VAL 8 N -3.18 4.68 0.04 -2.49 0.11 -1.26 -0.54 120.40 117.76 1frs s VAL 8 Ca 0.18 -0.07 0.01 0.00 -2.93 0.00 0.00 61.98 59.17 1frs s VAL 8 Cb -0.04 -3.22 -0.26 0.00 -1.53 0.00 0.00 36.38 31.34 1frs s VAL 8 CO 0.11 0.29 1.01 0.25 -3.33 0.00 0.00 175.10 173.43 1frs h LEU 9 N 8.29 0.25 -7.76 2.54 5.85 -0.52 -3.44 115.31 120.52 1frs h LEU 9 Ca -0.37 -0.32 -0.65 0.00 0.84 0.00 0.00 57.88 57.38 1frs h LEU 9 Cb 1.18 -0.08 -0.38 0.00 0.37 0.00 0.00 40.66 41.75 1frs h LEU 9 CO 0.57 1.26 -0.78 -0.69 -0.34 0.00 0.00 178.44 178.46 1frs s VAL 10 N -2.65 2.02 -0.85 1.05 1.01 0.48 -4.94 120.40 116.53 1frs s VAL 10 Ca -0.05 -1.69 -0.18 0.00 0.00 0.00 0.00 61.98 60.06 1frs s VAL 10 Cb 0.08 -2.25 0.15 0.00 0.00 0.00 0.00 36.38 34.36 1frs s VAL 10 CO 0.85 -0.18 0.98 -0.62 0.00 0.00 0.00 175.10 176.12 1frs s ASP 11 N 1.13 6.58 -1.03 3.32 2.15 -1.26 -0.96 116.67 126.60 1frs s ASP 11 Ca -0.04 -2.07 -0.01 0.00 0.43 0.00 0.00 52.55 50.86 1frs s ASP 11 Cb -0.19 -2.34 0.32 0.00 -0.30 0.00 0.00 42.92 40.40 1frs s ASP 11 CO -0.06 -0.97 1.78 0.59 -0.17 0.00 0.00 175.17 176.33 1frs n ASN 12 N 5.95 7.22 0.00 -0.34 3.02 -1.26 -4.91 115.26 124.93 1frs n ASN 12 Ca 0.16 -3.66 0.00 0.00 -0.03 0.00 0.00 54.58 51.05 1frs n ASN 12 Cb 0.48 -1.17 0.00 0.00 -0.61 0.00 0.00 39.78 38.48 1frs n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1frs n GLY 13 N 0.09 1.20 0.00 7.41 0.00 -1.26 -1.73 105.19 110.90 1frs n GLY 13 Ca 0.44 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.91 1frs n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1frs n GLY 14 N 0.00 0.83 3.19 -0.02 0.00 -1.26 -5.05 105.19 102.88 1frs n GLY 14 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1frs n GLY 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1frs s THR 15 N 0.00 4.20 -0.09 2.61 -4.23 -0.70 -4.45 115.64 112.98 1frs s THR 15 Ca 0.00 -2.27 -0.00 0.00 -1.18 0.00 0.00 61.69 58.24 1frs s THR 15 Cb 0.00 -3.74 -0.00 0.00 1.34 0.00 0.00 72.50 70.10 1frs s THR 15 CO 0.00 -0.84 0.08 0.61 -0.54 0.00 0.00 174.62 173.93 1frs n GLY 16 N 4.31 0.36 3.76 3.99 0.00 -1.26 -4.77 105.19 111.58 1frs n GLY 16 Ca 0.01 -0.18 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 1frs n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1frs s ASP 17 N -2.73 6.95 -0.48 1.61 1.11 -1.26 -4.27 116.67 117.59 1frs s ASP 17 Ca 0.03 1.13 -0.19 0.00 0.18 0.00 0.00 52.55 53.70 1frs s ASP 17 Cb -0.00 -2.35 0.05 0.00 1.07 0.00 0.00 42.92 41.68 1frs s ASP 17 CO 0.07 0.11 0.58 -0.69 1.18 0.00 0.00 175.17 176.42 1frs s VAL 18 N -0.18 4.92 0.04 -1.27 1.01 -0.14 -4.93 120.40 119.86 1frs s VAL 18 Ca 0.30 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.85 1frs s VAL 18 Cb -0.18 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 31.92 1frs s VAL 18 CO 0.17 -0.71 0.09 -0.75 0.00 0.00 0.00 175.10 173.89 1frs s LYS 19 N 2.51 3.00 -0.03 2.72 2.20 -1.26 0.27 119.74 129.14 1frs s LYS 19 Ca 0.15 -0.59 0.04 0.00 -0.36 0.00 0.00 55.97 55.21 1frs s LYS 19 Cb -0.19 -2.80 -0.00 0.00 -1.51 0.00 0.00 37.83 33.33 1frs s LYS 19 CO 0.13 0.60 -0.15 0.54 -0.36 0.00 0.00 175.35 176.11 1frs s VAL 20 N -1.32 1.22 0.26 4.02 0.11 0.30 -4.36 120.40 120.63 1frs s VAL 20 Ca 0.27 -0.61 0.11 0.00 -2.93 0.00 0.00 61.98 58.82 1frs s VAL 20 Cb -0.12 -1.05 -0.05 0.00 -1.53 0.00 0.00 36.38 33.63 1frs s VAL 20 CO 0.19 0.36 -0.18 0.00 -3.33 0.00 0.00 175.10 172.14 1frs s ALA 21 N -0.02 2.76 0.30 1.54 0.00 0.65 -1.94 121.76 125.05 1frs s ALA 21 Ca -0.01 -1.78 -0.30 0.00 0.00 0.00 0.00 51.96 49.87 1frs s ALA 21 Cb -0.09 -0.36 -0.11 0.00 0.00 0.00 0.00 23.12 22.56 1frs s ALA 21 CO 0.01 0.32 1.57 -1.25 0.00 0.00 0.00 175.76 176.41 1frs s PRO 22 N -3.32 4.14 0.00 0.00 0.04 -1.26 -0.26 135.00 134.33 1frs s PRO 22 Ca 0.28 2.55 0.00 0.00 0.04 0.00 0.00 61.00 63.87 1frs s PRO 22 Cb -0.06 -3.03 0.00 0.00 0.04 0.00 0.00 34.50 31.45 1frs s PRO 22 CO 0.14 -0.60 0.00 -1.13 0.04 0.00 0.00 177.00 175.46 1frs n SER 23 N 2.00 2.19 -3.55 6.66 3.41 -0.07 -4.84 113.62 119.41 1frs n SER 23 Ca 0.07 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.53 1frs n SER 23 Cb 0.38 0.15 -0.06 0.00 -0.26 0.00 0.00 64.21 64.42 1frs n SER 23 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1frs s ASN 24 N -2.53 -0.57 -0.03 4.04 3.84 -1.13 -5.01 114.94 113.55 1frs s ASN 24 Ca 0.00 0.65 0.15 0.00 0.21 0.00 0.00 52.86 53.87 1frs s ASN 24 Cb 0.00 0.51 0.27 0.00 -0.55 0.00 0.00 41.25 41.47 1frs s ASN 24 CO 0.00 -0.50 1.11 0.33 -2.79 0.00 0.00 177.10 175.25 1frs n PHE 25 N 0.95 0.00 -2.22 0.43 7.35 -1.25 -0.51 117.46 122.20 1frs n PHE 25 Ca -0.16 -0.46 -0.42 0.00 -0.76 0.00 0.00 57.45 55.66 1frs n PHE 25 Cb 0.57 -0.12 -0.03 0.00 0.35 0.00 0.00 39.48 40.25 1frs n PHE 25 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1frs s ALA 26 N -0.53 3.55 -1.59 3.13 0.00 -1.24 -2.54 121.76 122.55 1frs s ALA 26 Ca 0.22 1.04 0.00 0.00 0.00 0.00 0.00 51.96 53.22 1frs s ALA 26 Cb 0.24 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.83 1frs s ALA 26 CO -0.09 -0.62 0.00 0.09 0.00 0.00 0.00 175.76 175.14 1frs n ASN 27 N 4.15 -5.01 -0.13 0.00 5.03 -1.26 -3.06 115.26 114.99 1frs n ASN 27 Ca 0.11 0.17 -0.02 0.00 0.87 0.00 0.00 54.58 55.71 1frs n ASN 27 Cb 0.43 -4.06 -0.01 0.00 -1.02 0.00 0.00 39.78 35.13 1frs n ASN 27 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1frs n GLY 28 N -0.97 0.52 3.43 7.41 0.00 -1.05 -4.97 105.19 109.56 1frs n GLY 28 Ca -0.19 -0.83 -0.33 0.00 0.00 0.00 0.00 46.02 44.68 1frs n GLY 28 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1frs s VAL 29 N -2.05 3.22 -0.22 1.61 -7.23 -1.17 -4.52 120.40 110.04 1frs s VAL 29 Ca 0.00 -0.62 -0.16 0.00 -1.81 0.00 0.00 61.98 59.39 1frs s VAL 29 Cb 0.00 -2.34 -0.04 0.00 0.56 0.00 0.00 36.38 34.57 1frs s VAL 29 CO 0.00 0.54 0.43 0.00 -0.31 0.00 0.00 175.10 175.76 1frs s ALA 30 N -0.03 3.56 -0.07 1.32 0.00 -0.05 -3.60 121.76 122.90 1frs s ALA 30 Ca -0.02 -0.58 0.04 0.00 0.00 0.00 0.00 51.96 51.40 1frs s ALA 30 Cb -0.14 -2.71 -0.01 0.00 0.00 0.00 0.00 23.12 20.26 1frs s ALA 30 CO 0.04 -0.46 -0.21 -2.00 0.00 0.00 0.00 175.76 173.13 1frs s GLU 31 N 1.66 2.74 -0.03 0.00 2.12 0.33 -1.07 118.70 124.45 1frs s GLU 31 Ca 0.19 -0.83 0.03 0.00 0.36 0.00 0.00 54.97 54.73 1frs s GLU 31 Cb -0.15 -2.30 0.00 0.00 0.26 0.00 0.00 34.13 31.94 1frs s GLU 31 CO 0.09 0.38 -0.12 -1.58 -0.54 0.00 0.00 175.26 173.48 1frs s TRP 32 N -0.13 1.23 0.18 5.30 0.51 0.18 -0.90 118.94 125.32 1frs s TRP 32 Ca -0.03 -0.33 0.03 0.00 -2.12 0.00 0.00 56.10 53.65 1frs s TRP 32 Cb -0.14 -0.85 -0.05 0.00 -0.81 0.00 0.00 33.47 31.62 1frs s TRP 32 CO 0.04 -0.12 -0.02 0.96 -0.51 0.00 0.00 176.95 177.30 1frs s ILE 33 N 0.12 0.84 0.00 2.03 -0.00 0.63 -0.77 121.20 124.06 1frs s ILE 33 Ca -0.03 -2.00 0.00 0.00 -0.00 0.00 0.00 60.65 58.62 1frs s ILE 33 Cb -0.09 -2.13 0.00 0.00 -0.00 0.00 0.00 42.46 40.24 1frs s ILE 33 CO 0.01 -0.48 0.00 -1.54 -0.00 0.00 0.00 174.94 172.93 1frs n SER 34 N -0.28 -0.18 -2.87 4.36 3.41 -0.94 -0.26 113.62 116.87 1frs n SER 34 Ca -0.07 -0.43 -0.33 0.00 -0.26 0.00 0.00 58.87 57.78 1frs n SER 34 Cb 0.63 0.00 0.01 0.00 -0.26 0.00 0.00 64.21 64.59 1frs n SER 34 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1frs n SER 35 N -1.57 6.02 -1.95 4.04 2.88 -1.26 -4.77 113.62 117.01 1frs n SER 35 Ca 0.00 -3.75 0.00 0.00 -1.33 0.00 0.00 58.87 53.79 1frs n SER 35 Cb 0.00 -0.79 0.00 0.00 -0.75 0.00 0.00 64.21 62.67 1frs n SER 35 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1frs n ASN 36 N -0.40 1.88 -4.82 -3.46 4.13 -1.26 -5.07 115.26 106.27 1frs n ASN 36 Ca 0.44 -0.98 -0.31 0.00 1.68 0.00 0.00 54.58 55.42 1frs n ASN 36 Cb 0.41 0.00 0.06 0.00 -1.54 0.00 0.00 39.78 38.71 1frs n ASN 36 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1frs s SER 37 N -0.95 5.23 0.54 6.41 1.04 -1.26 -4.74 113.70 119.95 1frs s SER 37 Ca 0.00 1.58 0.20 0.00 0.48 0.00 0.00 55.95 58.21 1frs s SER 37 Cb 0.00 -2.43 1.41 0.00 0.10 0.00 0.00 66.02 65.09 1frs s SER 37 CO 0.00 -1.54 2.16 -0.09 0.98 0.00 0.00 173.24 174.75 1frs h ARG 38 N -0.78 0.00 0.00 4.02 9.65 -1.98 0.50 114.38 125.79 1frs h ARG 38 Ca -0.44 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.44 1frs h ARG 38 Cb 1.22 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.80 1frs h ARG 38 CO 0.57 0.00 0.00 -1.13 2.80 0.00 0.00 179.97 182.21 1frs n SER 39 N -4.36 0.10 0.00 -3.80 3.41 -1.26 -3.42 113.62 104.28 1frs n SER 39 Ca -0.02 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 1frs n SER 39 Cb 0.14 -0.55 0.00 0.00 -0.26 0.00 0.00 64.21 63.54 1frs n SER 39 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1frs n GLN 40 N -1.63 0.10 -2.19 4.33 6.02 0.16 -3.26 117.38 120.92 1frs n GLN 40 Ca 0.01 -0.01 -0.34 0.00 -0.01 0.00 0.00 57.00 56.65 1frs n GLN 40 Cb 0.05 -0.30 0.00 0.00 1.02 0.00 0.00 30.24 31.01 1frs n GLN 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1frs s ALA 41 N -0.02 2.73 0.86 -1.58 0.00 -0.35 -4.81 121.76 118.60 1frs s ALA 41 Ca 0.00 0.56 -0.11 0.00 0.00 0.00 0.00 51.96 52.42 1frs s ALA 41 Cb 0.00 -3.28 0.11 0.00 0.00 0.00 0.00 23.12 19.96 1frs s ALA 41 CO 0.00 -0.72 1.10 0.71 0.00 0.00 0.00 175.76 176.85 1frs s TYR 42 N -2.17 2.16 -0.15 0.00 1.51 -1.26 -4.69 117.35 112.76 1frs s TYR 42 Ca 0.67 1.55 -0.21 0.00 -1.01 0.00 0.00 57.07 58.08 1frs s TYR 42 Cb -0.18 -3.16 0.05 0.00 -0.11 0.00 0.00 41.96 38.56 1frs s TYR 42 CO 0.31 -2.35 0.54 0.21 -1.11 0.00 0.00 175.55 173.15 1frs s LYS 43 N -4.80 0.72 0.02 -0.62 2.20 -1.07 -2.20 119.74 113.98 1frs s LYS 43 Ca 0.64 0.52 0.02 0.00 -0.36 0.00 0.00 55.97 56.78 1frs s LYS 43 Cb -0.19 0.35 -0.01 0.00 -1.51 0.00 0.00 37.83 36.46 1frs s LYS 43 CO 0.57 -0.14 -0.06 0.08 -0.36 0.00 0.00 175.35 175.44 1frs s VAL 44 N -0.24 0.43 0.01 4.02 1.01 0.05 -0.39 120.40 125.29 1frs s VAL 44 Ca -0.04 -0.59 -0.07 0.00 0.00 0.00 0.00 61.98 61.27 1frs s VAL 44 Cb -0.03 -0.43 -0.00 0.00 0.00 0.00 0.00 36.38 35.92 1frs s VAL 44 CO 0.03 -0.12 0.14 0.42 0.00 0.00 0.00 175.10 175.57 1frs s THR 45 N -0.69 0.10 -0.00 3.92 -4.23 0.38 -0.65 115.64 114.46 1frs s THR 45 Ca -0.04 -0.79 -0.10 0.00 -1.18 0.00 0.00 61.69 59.58 1frs s THR 45 Cb -0.06 -0.58 0.01 0.00 1.34 0.00 0.00 72.50 73.21 1frs s THR 45 CO 0.00 -0.43 0.20 0.00 -0.54 0.00 0.00 174.62 173.85 1frs s SER 47 N -1.38 -0.51 -0.01 0.00 1.04 -0.45 -0.87 113.70 111.52 1frs s SER 47 Ca -0.14 0.43 0.03 0.00 0.48 0.00 0.00 55.95 56.75 1frs s SER 47 Cb -0.07 0.45 -0.01 0.00 0.10 0.00 0.00 66.02 66.49 1frs s SER 47 CO 0.03 -0.57 -0.11 -0.69 0.98 0.00 0.00 173.24 172.88 1frs s VAL 48 N -1.73 0.88 0.08 5.02 1.01 -1.26 -0.44 120.40 123.95 1frs s VAL 48 Ca -0.04 -0.47 0.02 0.00 0.00 0.00 0.00 61.98 61.49 1frs s VAL 48 Cb -0.00 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 1frs s VAL 48 CO 0.02 0.25 -0.07 0.00 0.00 0.00 0.00 175.10 175.30 1frs s ARG 49 N -0.23 0.72 -1.10 2.72 1.70 -0.69 -4.96 118.95 117.12 1frs s ARG 49 Ca 0.04 -1.12 -0.14 0.00 -0.47 0.00 0.00 55.73 54.04 1frs s ARG 49 Cb -0.05 -0.25 0.19 0.00 -0.57 0.00 0.00 34.95 34.27 1frs s ARG 49 CO -0.00 0.01 1.25 -1.14 -1.08 0.00 0.00 175.30 174.33 1frs s GLN 50 N -2.99 3.97 0.00 3.89 2.00 -1.26 -1.67 119.66 123.60 1frs s GLN 50 Ca 0.04 -2.53 0.00 0.00 -2.00 0.00 0.00 55.36 50.87 1frs s GLN 50 Cb -0.00 -4.88 0.00 0.00 0.80 0.00 0.00 33.01 28.93 1frs s GLN 50 CO -0.03 -1.62 0.00 -1.13 -0.50 0.00 0.00 175.29 172.01 1frs n SER 51 N 5.11 0.00 -2.65 6.67 3.41 -1.13 -4.84 113.62 120.20 1frs n SER 51 Ca 0.29 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.90 1frs n SER 51 Cb 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 1frs n SER 51 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1frs n SER 52 N 0.00 -0.74 0.00 4.04 2.88 -1.26 -4.90 113.62 113.64 1frs n SER 52 Ca 0.00 -0.44 0.16 0.00 -1.33 0.00 0.00 58.87 57.26 1frs n SER 52 Cb 0.00 0.00 0.92 0.00 -0.75 0.00 0.00 64.21 64.38 1frs n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1frs n ALA 53 N -3.00 2.65 -0.04 -1.46 0.00 -1.26 -3.88 120.51 113.52 1frs n ALA 53 Ca 0.00 -0.19 0.02 0.00 0.00 0.00 0.00 53.44 53.27 1frs n ALA 53 Cb 0.00 -1.51 0.04 0.00 0.00 0.00 0.00 19.45 17.99 1frs n ALA 53 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1frs n ASN 54 N -1.02 2.20 -3.87 0.00 3.02 -1.26 -4.89 115.26 109.43 1frs n ASN 54 Ca 0.23 -1.93 -0.09 0.00 -0.03 0.00 0.00 54.58 52.76 1frs n ASN 54 Cb 0.12 -0.06 -0.04 0.00 -0.61 0.00 0.00 39.78 39.18 1frs n ASN 54 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1frs s ASN 55 N -0.94 -0.17 0.18 6.41 -0.87 -1.25 -1.33 114.94 116.96 1frs s ASN 55 Ca 0.07 -0.69 0.04 0.00 -1.57 0.00 0.00 52.86 50.70 1frs s ASN 55 Cb 0.04 0.59 -0.05 0.00 -0.02 0.00 0.00 41.25 41.81 1frs s ASN 55 CO 0.05 -1.11 -0.05 -0.13 -2.57 0.00 0.00 177.10 173.28 1frs s ARG 56 N -3.94 1.15 -0.04 -0.60 0.52 -0.48 -2.82 118.95 112.74 1frs s ARG 56 Ca 0.15 -1.54 -0.00 0.00 -0.52 0.00 0.00 55.73 53.82 1frs s ARG 56 Cb -0.01 -0.54 0.03 0.00 0.52 0.00 0.00 34.95 34.95 1frs s ARG 56 CO 0.03 -0.02 0.00 0.15 0.02 0.00 0.00 175.30 175.48 1frs s LYS 57 N -3.82 0.40 0.06 3.54 1.02 -0.67 -1.47 119.74 118.80 1frs s LYS 57 Ca 0.22 0.09 0.01 0.00 0.02 0.00 0.00 55.97 56.31 1frs s LYS 57 Cb 0.04 -0.64 -0.04 0.00 -0.52 0.00 0.00 37.83 36.67 1frs s LYS 57 CO 0.04 -0.19 0.16 0.71 -0.92 0.00 0.00 175.35 175.15 1frs s TYR 58 N 1.34 3.41 -0.10 3.18 1.51 0.70 -1.70 117.35 125.70 1frs s TYR 58 Ca -0.05 0.20 -0.03 0.00 -1.01 0.00 0.00 57.07 56.18 1frs s TYR 58 Cb -0.13 -1.72 0.04 0.00 -0.11 0.00 0.00 41.96 40.04 1frs s TYR 58 CO -0.02 0.57 0.06 0.99 -1.11 0.00 0.00 175.55 176.04 1frs s THR 59 N -1.45 0.03 -0.02 -0.71 2.01 0.41 -1.27 115.64 114.65 1frs s THR 59 Ca 0.32 0.09 0.05 0.00 0.31 0.00 0.00 61.69 62.46 1frs s THR 59 Cb -0.13 -0.43 -0.01 0.00 0.01 0.00 0.00 72.50 71.94 1frs s THR 59 CO 0.25 0.00 -0.16 0.68 -0.69 0.00 0.00 174.62 174.70 1frs s VAL 60 N 2.10 1.30 0.01 3.82 -7.23 -0.53 -1.34 120.40 118.52 1frs s VAL 60 Ca 0.03 -0.69 -0.01 0.00 -1.81 0.00 0.00 61.98 59.51 1frs s VAL 60 Cb -0.14 -1.09 -0.01 0.00 0.56 0.00 0.00 36.38 35.70 1frs s VAL 60 CO -0.06 0.37 0.00 -0.54 -0.31 0.00 0.00 175.10 174.56 1frs s LYS 61 N -0.27 0.21 -0.02 4.82 1.02 0.38 -1.29 119.74 124.59 1frs s LYS 61 Ca 0.04 -0.34 0.03 0.00 0.02 0.00 0.00 55.97 55.71 1frs s LYS 61 Cb -0.07 0.08 -0.00 0.00 -0.52 0.00 0.00 37.83 37.31 1frs s LYS 61 CO -0.00 -0.04 -0.10 0.08 -0.92 0.00 0.00 175.35 174.37 1frs s VAL 62 N -0.87 0.86 -0.14 3.17 1.01 -0.73 -0.47 120.40 123.23 1frs s VAL 62 Ca -0.10 -0.43 -0.00 0.00 0.00 0.00 0.00 61.98 61.45 1frs s VAL 62 Cb -0.06 -0.75 0.03 0.00 0.00 0.00 0.00 36.38 35.60 1frs s VAL 62 CO -0.00 0.26 -0.09 -0.70 0.00 0.00 0.00 175.10 174.57 1frs s GLU 63 N 0.01 1.73 -0.19 2.72 2.12 0.48 -1.70 118.70 123.86 1frs s GLU 63 Ca -0.00 -0.43 -0.05 0.00 0.36 0.00 0.00 54.97 54.85 1frs s GLU 63 Cb -0.07 -1.86 -0.03 0.00 0.26 0.00 0.00 34.13 32.43 1frs s GLU 63 CO 0.00 -0.31 -0.00 0.08 -0.54 0.00 0.00 175.26 174.49 1frs s VAL 64 N 1.62 3.99 -0.25 3.70 1.01 -0.57 -2.61 120.40 127.29 1frs s VAL 64 Ca 0.04 -0.31 -0.10 0.00 0.00 0.00 0.00 61.98 61.61 1frs s VAL 64 Cb -0.13 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 1frs s VAL 64 CO -0.09 0.44 0.14 -2.84 0.00 0.00 0.00 175.10 172.76 1frs s PRO 65 N 0.82 3.94 -0.42 2.72 0.02 -1.26 -0.70 135.00 140.11 1frs s PRO 65 Ca 0.00 -0.33 -0.25 0.00 0.02 0.00 0.00 61.00 60.43 1frs s PRO 65 Cb -0.14 -3.49 0.02 0.00 0.02 0.00 0.00 34.50 30.91 1frs s PRO 65 CO 0.02 -0.03 0.92 0.21 -0.33 0.00 0.00 177.00 177.79 1frs s LYS 66 N 1.28 3.66 0.58 5.54 2.47 -0.48 -4.98 119.74 127.82 1frs s LYS 66 Ca 0.06 0.33 -0.15 0.00 -1.56 0.00 0.00 55.97 54.66 1frs s LYS 66 Cb -0.14 -3.87 -0.05 0.00 -1.46 0.00 0.00 37.83 32.31 1frs s LYS 66 CO 0.06 -1.10 1.03 0.14 0.16 0.00 0.00 175.35 175.64 1frs s VAL 67 N 3.62 4.25 0.02 4.02 -7.23 -1.26 0.18 120.40 123.99 1frs s VAL 67 Ca 0.37 0.97 -0.15 0.00 -1.81 0.00 0.00 61.98 61.36 1frs s VAL 67 Cb -0.11 -3.59 0.05 0.00 0.56 0.00 0.00 36.38 33.30 1frs s VAL 67 CO 0.23 -0.72 0.69 0.00 -0.31 0.00 0.00 175.10 174.99 1frs n ALA 68 N -2.12 -1.90 -3.89 1.32 0.00 0.22 -4.69 120.51 109.44 1frs n ALA 68 Ca 0.07 -0.49 -0.27 0.00 0.00 0.00 0.00 53.44 52.75 1frs n ALA 68 Cb 0.54 0.15 -0.17 0.00 0.00 0.00 0.00 19.45 19.97 1frs n ALA 68 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1frs s THR 69 N -2.13 1.05 0.12 0.00 -4.23 -1.26 -1.17 115.64 108.03 1frs s THR 69 Ca 0.16 -0.46 0.04 0.00 -1.18 0.00 0.00 61.69 60.26 1frs s THR 69 Cb -0.01 -1.16 -0.04 0.00 1.34 0.00 0.00 72.50 72.63 1frs s THR 69 CO 0.01 0.24 0.08 -1.58 -0.54 0.00 0.00 174.62 172.82 1frs s GLN 70 N 1.68 2.80 -0.39 3.99 0.74 -0.27 -4.87 119.66 123.33 1frs s GLN 70 Ca 0.03 -0.82 -0.05 0.00 0.05 0.00 0.00 55.36 54.57 1frs s GLN 70 Cb -0.14 -2.63 0.08 0.00 1.10 0.00 0.00 33.01 31.42 1frs s GLN 70 CO -0.08 0.52 0.18 0.08 -0.55 0.00 0.00 175.29 175.44 1frs s VAL 71 N -1.55 3.58 -0.20 1.34 1.01 -1.26 -0.29 120.40 123.04 1frs s VAL 71 Ca 0.29 -1.66 -0.03 0.00 0.00 0.00 0.00 61.98 60.59 1frs s VAL 71 Cb -0.11 -3.27 -0.01 0.00 0.00 0.00 0.00 36.38 32.99 1frs s VAL 71 CO 0.22 -0.49 -0.07 -1.10 0.00 0.00 0.00 175.10 173.65 1frs s GLN 72 N 1.27 3.36 -1.48 2.72 -0.21 -0.79 -4.43 119.66 120.10 1frs s GLN 72 Ca 0.03 -0.65 -0.05 0.00 0.02 0.00 0.00 55.36 54.71 1frs s GLN 72 Cb -0.22 -2.89 0.01 0.00 1.00 0.00 0.00 33.01 30.90 1frs s GLN 72 CO -0.01 -0.09 0.73 0.41 -2.12 0.00 0.00 175.29 174.20 1frs n GLY 73 N 4.46 -0.50 2.24 3.09 0.00 -1.26 -2.49 105.19 110.74 1frs n GLY 73 Ca -0.18 0.14 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 1frs n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1frs n GLY 74 N -1.62 0.78 3.25 -0.02 0.00 -1.26 -5.02 105.19 101.31 1frs n GLY 74 Ca -0.08 -0.58 -0.23 0.00 0.00 0.00 0.00 46.02 45.13 1frs n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1frs s VAL 75 N -2.38 1.57 -0.11 1.61 1.01 -1.04 -5.10 120.40 115.96 1frs s VAL 75 Ca 0.00 -1.40 -0.01 0.00 0.00 0.00 0.00 61.98 60.56 1frs s VAL 75 Cb 0.00 -1.42 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 1frs s VAL 75 CO 0.00 -0.03 -0.05 -1.61 0.00 0.00 0.00 175.10 173.41 1frs s GLU 76 N -1.69 3.19 0.01 2.72 2.02 -1.26 -1.88 118.70 121.80 1frs s GLU 76 Ca 0.05 -0.52 0.07 0.00 0.02 0.00 0.00 54.97 54.60 1frs s GLU 76 Cb -0.10 -2.76 -0.02 0.00 0.10 0.00 0.00 34.13 31.36 1frs s GLU 76 CO 0.03 0.49 -0.22 -0.51 0.02 0.00 0.00 175.26 175.07 1frs s LEU 77 N -0.31 2.10 0.24 1.80 1.43 0.60 -4.96 118.68 119.58 1frs s LEU 77 Ca 0.05 -0.46 -0.30 0.00 -1.03 0.00 0.00 54.13 52.39 1frs s LEU 77 Cb -0.12 -1.11 -0.09 0.00 0.03 0.00 0.00 46.19 44.90 1frs s LEU 77 CO 0.02 0.24 1.07 -2.16 0.23 0.00 0.00 176.35 175.75 1frs s PRO 78 N -0.81 4.66 0.03 1.29 0.04 -1.26 -1.11 135.00 137.84 1frs s PRO 78 Ca 0.09 1.72 -0.28 0.00 0.04 0.00 0.00 61.00 62.56 1frs s PRO 78 Cb -0.09 -3.23 0.09 0.00 0.04 0.00 0.00 34.50 31.31 1frs s PRO 78 CO 0.00 0.22 1.01 0.54 0.04 0.00 0.00 177.00 178.82 1frs s VAL 79 N -0.86 0.00 -0.17 -0.36 0.11 -0.32 -4.85 120.40 113.94 1frs s VAL 79 Ca 0.45 -0.28 -0.09 0.00 -2.93 0.00 0.00 61.98 59.14 1frs s VAL 79 Cb -0.30 -1.51 -0.05 0.00 -1.53 0.00 0.00 36.38 32.99 1frs s VAL 79 CO 0.38 0.00 0.12 0.00 -3.33 0.00 0.00 175.10 172.27 1frs s ALA 80 N -3.00 3.70 0.28 1.54 0.00 -1.20 -0.61 121.76 122.47 1frs s ALA 80 Ca 0.10 -0.68 0.11 0.00 0.00 0.00 0.00 51.96 51.48 1frs s ALA 80 Cb -0.00 -2.07 0.43 0.00 0.00 0.00 0.00 23.12 21.48 1frs s ALA 80 CO -0.04 0.30 1.65 0.00 0.00 0.00 0.00 175.76 177.68 1frs h ALA 81 N 6.16 1.04 -2.20 0.00 0.00 -0.55 -3.47 119.26 120.24 1frs h ALA 81 Ca -0.45 -0.52 0.22 0.00 0.00 0.00 0.00 54.91 54.17 1frs h ALA 81 Cb 1.18 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.81 1frs h ALA 81 CO 0.70 0.71 0.65 1.67 0.00 0.00 0.00 179.25 182.98 1frs s TRP 82 N -3.70 -0.01 0.18 0.00 1.48 -1.25 -5.03 118.94 110.61 1frs s TRP 82 Ca -0.01 -0.26 0.02 0.00 -1.06 0.00 0.00 56.10 54.78 1frs s TRP 82 Cb 0.13 0.63 -0.05 0.00 -1.16 0.00 0.00 33.47 33.03 1frs s TRP 82 CO 0.75 -0.68 0.00 1.03 -4.06 0.00 0.00 176.95 173.99 1frs s ARG 83 N -2.52 1.12 0.08 3.25 0.52 -1.26 -1.38 118.95 118.76 1frs s ARG 83 Ca 0.18 -1.54 0.09 0.00 -0.52 0.00 0.00 55.73 53.94 1frs s ARG 83 Cb -0.00 -0.27 -0.03 0.00 0.52 0.00 0.00 34.95 35.16 1frs s ARG 83 CO 0.02 -0.13 -0.23 0.45 0.02 0.00 0.00 175.30 175.42 1frs s SER 84 N -3.18 2.82 -0.03 0.23 0.15 0.12 -4.95 113.70 108.87 1frs s SER 84 Ca 0.24 -0.64 0.05 0.00 0.70 0.00 0.00 55.95 56.29 1frs s SER 84 Cb 0.06 -0.20 -0.01 0.00 -1.71 0.00 0.00 66.02 64.16 1frs s SER 84 CO 0.04 0.15 -0.16 -0.31 1.20 0.00 0.00 173.24 174.16 1frs s TYR 85 N -0.99 1.54 0.04 3.44 1.51 -1.26 -1.52 117.35 120.12 1frs s TYR 85 Ca 0.09 -0.36 0.08 0.00 -1.01 0.00 0.00 57.07 55.88 1frs s TYR 85 Cb -0.10 -1.01 -0.03 0.00 -0.11 0.00 0.00 41.96 40.71 1frs s TYR 85 CO 0.04 -0.08 -0.23 1.41 -1.11 0.00 0.00 175.55 175.57 1frs s MET 86 N -0.19 1.57 -0.21 -0.62 1.75 -0.69 -5.01 119.30 115.91 1frs s MET 86 Ca 0.02 -1.02 -0.12 0.00 -1.25 0.00 0.00 55.69 53.32 1frs s MET 86 Cb -0.08 -1.72 0.06 0.00 2.84 0.00 0.00 34.83 35.93 1frs s MET 86 CO 0.00 0.44 0.51 1.21 -0.65 0.00 0.00 175.02 176.53 1frs s ASN 87 N -1.21 -0.65 -0.11 1.11 3.84 -1.26 -1.77 114.94 114.89 1frs s ASN 87 Ca 0.09 1.10 -0.19 0.00 0.21 0.00 0.00 52.86 54.07 1frs s ASN 87 Cb -0.09 0.98 0.04 0.00 -0.55 0.00 0.00 41.25 41.64 1frs s ASN 87 CO 0.02 -0.21 0.47 -0.32 -2.79 0.00 0.00 177.10 174.28 1frs s MET 88 N 1.40 0.70 -0.05 0.43 1.75 -0.41 -5.03 119.30 118.08 1frs s MET 88 Ca -0.09 0.34 0.01 0.00 -1.25 0.00 0.00 55.69 54.69 1frs s MET 88 Cb -0.07 0.33 0.02 0.00 2.84 0.00 0.00 34.83 37.95 1frs s MET 88 CO -0.14 -0.15 -0.04 -2.00 -0.65 0.00 0.00 175.02 172.04 1frs s GLU 89 N -0.50 0.80 -0.01 4.11 2.12 -1.26 -1.46 118.70 122.51 1frs s GLU 89 Ca -0.06 -0.07 0.04 0.00 0.36 0.00 0.00 54.97 55.24 1frs s GLU 89 Cb -0.03 -0.88 -0.01 0.00 0.26 0.00 0.00 34.13 33.47 1frs s GLU 89 CO 0.04 -0.13 -0.12 -1.17 -0.54 0.00 0.00 175.26 173.34 1frs s LEU 90 N 1.12 2.03 -0.10 2.70 2.96 -0.40 -4.95 118.68 122.05 1frs s LEU 90 Ca -0.08 -0.23 0.01 0.00 -0.22 0.00 0.00 54.13 53.62 1frs s LEU 90 Cb -0.14 -0.61 0.02 0.00 0.50 0.00 0.00 46.19 45.96 1frs s LEU 90 CO -0.01 0.14 -0.11 -0.89 -1.32 0.00 0.00 176.35 174.16 1frs s THR 91 N -0.31 1.20 -0.03 3.68 2.01 -1.26 -0.21 115.64 120.72 1frs s THR 91 Ca 0.04 -0.45 0.04 0.00 0.31 0.00 0.00 61.69 61.63 1frs s THR 91 Cb -0.05 -1.14 -0.01 0.00 0.01 0.00 0.00 72.50 71.32 1frs s THR 91 CO -0.00 0.38 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.52 1frs s ILE 92 N 1.15 1.35 1.15 1.82 1.01 -0.54 -4.92 121.20 122.23 1frs s ILE 92 Ca -0.05 -0.69 -0.15 0.00 0.00 0.00 0.00 60.65 59.76 1frs s ILE 92 Cb -0.14 -1.15 0.21 0.00 0.01 0.00 0.00 42.46 41.38 1frs s ILE 92 CO -0.03 0.39 0.54 -2.65 0.00 0.00 0.00 174.94 173.20 1frs n PRO 93 N 3.03 -2.08 0.05 2.79 -0.02 -1.26 -1.38 135.00 136.12 1frs n PRO 93 Ca -0.17 -0.58 -0.08 0.00 -2.02 0.00 0.00 63.50 60.65 1frs n PRO 93 Cb 0.53 -1.95 -0.12 0.00 -0.02 0.00 0.00 33.50 31.94 1frs n PRO 93 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1frs h VAL 94 N -2.41 1.54 0.00 -1.45 2.07 -1.55 -3.28 116.25 111.17 1frs h VAL 94 Ca -0.58 -3.28 0.00 0.00 0.82 0.00 0.00 66.70 63.66 1frs h VAL 94 Cb 1.35 2.77 0.00 0.00 -1.52 0.00 0.00 31.29 33.89 1frs h VAL 94 CO 0.44 0.88 0.00 0.49 0.02 0.00 0.00 177.57 179.40 1frs n PHE 95 N -3.30 0.00 -1.69 1.57 3.72 -1.26 -4.73 117.46 111.77 1frs n PHE 95 Ca -0.04 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.94 1frs n PHE 95 Cb 0.96 -0.46 -0.03 0.00 -0.94 0.00 0.00 39.48 39.01 1frs n PHE 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1frs n ALA 96 N -1.46 2.19 -1.82 4.37 0.00 -1.24 -4.96 120.51 117.58 1frs n ALA 96 Ca 0.06 0.33 -0.29 0.00 0.00 0.00 0.00 53.44 53.53 1frs n ALA 96 Cb 0.22 -2.58 0.11 0.00 0.00 0.00 0.00 19.45 17.21 1frs n ALA 96 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1frs s THR 97 N 2.56 1.99 0.45 0.00 -4.23 -1.26 -4.91 115.64 110.24 1frs s THR 97 Ca 0.81 0.00 0.13 0.00 -1.18 0.00 0.00 61.69 61.46 1frs s THR 97 Cb -0.50 -2.94 0.31 0.00 1.34 0.00 0.00 72.50 70.71 1frs s THR 97 CO 0.37 0.00 2.03 0.78 -0.54 0.00 0.00 174.62 177.26 1frs h ASN 98 N -1.24 0.30 -0.18 3.99 2.35 -1.99 0.31 115.58 119.13 1frs h ASN 98 Ca -0.47 0.00 -0.22 0.00 -0.55 0.00 0.00 56.30 55.07 1frs h ASN 98 Cb 1.32 -0.06 0.01 0.00 0.05 0.00 0.00 38.32 39.63 1frs h ASN 98 CO 0.61 0.20 -0.74 0.44 -1.65 0.00 0.00 177.43 176.29 1frs h ASP 99 N 0.35 0.96 -0.90 5.81 3.32 -2.00 -2.32 116.42 121.64 1frs h ASP 99 Ca 0.20 -0.61 0.05 0.00 0.02 0.00 0.00 57.03 56.69 1frs h ASP 99 Cb 0.33 -0.28 -0.06 0.00 0.22 0.00 0.00 39.33 39.54 1frs h ASP 99 CO -0.05 1.41 0.59 0.44 -1.72 0.00 0.00 179.24 179.92 1frs h ASP 100 N 0.57 0.94 -0.49 6.45 3.32 -0.81 0.23 116.42 126.63 1frs h ASP 100 Ca -0.04 -0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.93 1frs h ASP 100 Cb 1.36 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 40.69 1frs h ASP 100 CO 0.15 0.63 -0.01 0.00 -1.72 0.00 0.00 179.24 178.29 1frs h ALA 102 N 0.93 1.71 -0.58 0.00 0.00 -0.05 0.52 119.26 121.78 1frs h ALA 102 Ca 0.14 0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.16 1frs h ALA 102 Cb 0.53 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 1frs h ALA 102 CO 0.03 0.03 0.22 1.25 0.00 0.00 0.00 179.25 180.78 1frs h LEU 103 N 0.80 0.23 -0.11 0.00 5.85 -0.74 0.99 115.31 122.32 1frs h LEU 103 Ca 0.48 0.07 0.03 0.00 0.84 0.00 0.00 57.88 59.30 1frs h LEU 103 Cb 0.67 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 1frs h LEU 103 CO -0.25 0.14 -0.06 0.40 -0.34 0.00 0.00 178.44 178.33 1frs h ILE 104 N 0.41 0.81 -0.11 4.05 2.04 0.12 0.19 117.51 125.01 1frs h ILE 104 Ca 0.29 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.17 1frs h ILE 104 Cb 0.34 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 1frs h ILE 104 CO -0.29 0.00 -0.02 0.58 0.00 0.00 0.00 178.15 178.42 1frs h VAL 105 N -0.05 0.89 -0.88 1.67 2.07 -0.21 0.22 116.25 119.96 1frs h VAL 105 Ca 0.07 -0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.61 1frs h VAL 105 Cb 0.15 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 1frs h VAL 105 CO -0.15 0.00 0.58 0.11 0.02 0.00 0.00 177.57 178.14 1frs h LYS 106 N 0.01 1.11 -0.73 1.57 1.57 0.45 0.41 116.57 120.96 1frs h LYS 106 Ca 0.05 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 1frs h LYS 106 Cb 0.08 -0.25 -0.03 0.00 0.08 0.00 0.00 32.23 32.10 1frs h LYS 106 CO -0.11 0.74 0.29 0.00 -0.57 0.00 0.00 179.45 179.79 1frs h ALA 107 N 1.47 1.12 -0.26 3.86 0.00 0.19 0.38 119.26 126.02 1frs h ALA 107 Ca 0.34 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.07 1frs h ALA 107 Cb -0.05 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 1frs h ALA 107 CO -0.09 0.63 0.15 1.25 0.00 0.00 0.00 179.25 181.19 1frs h LEU 108 N 1.06 0.24 -0.87 0.00 5.85 0.13 0.30 115.31 122.03 1frs h LEU 108 Ca 0.24 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.94 1frs h LEU 108 Cb 0.21 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 1frs h LEU 108 CO -0.02 0.18 0.44 1.56 -0.34 0.00 0.00 178.44 180.26 1frs h GLN 109 N 0.31 1.24 -0.08 1.25 4.20 0.31 -1.87 115.11 120.47 1frs h GLN 109 Ca 0.10 -0.17 0.04 0.00 0.06 0.00 0.00 58.65 58.68 1frs h GLN 109 Cb -0.00 -0.23 -0.06 0.00 0.30 0.00 0.00 27.48 27.49 1frs h GLN 109 CO -0.05 0.94 -0.33 0.78 -0.67 0.00 0.00 178.83 179.50 1frs h GLY 110 N 1.23 -0.49 -0.54 3.46 0.00 0.32 0.92 103.07 107.96 1frs h GLY 110 Ca 0.30 0.40 0.13 0.00 0.00 0.00 0.00 47.33 48.16 1frs h GLY 110 CO -0.04 -0.23 -0.29 -0.84 0.00 0.00 0.00 176.54 175.14 1frs h THR 111 N -0.43 0.17 -0.06 4.70 2.02 -0.01 -1.03 112.91 118.27 1frs h THR 111 Ca 0.08 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.26 1frs h THR 111 Cb 0.56 0.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 1frs h THR 111 CO -0.32 0.00 0.00 0.49 0.37 0.00 0.00 175.52 176.06 1frs n PHE 112 N -5.46 0.06 -1.93 3.16 3.72 -0.79 -3.91 117.46 112.31 1frs n PHE 112 Ca 0.07 -0.03 -0.41 0.00 -0.05 0.00 0.00 57.45 57.03 1frs n PHE 112 Cb 0.37 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.89 1frs n PHE 112 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1frs s LYS 113 N -1.94 4.22 -0.14 -1.08 2.20 0.25 -4.71 119.74 118.53 1frs s LYS 113 Ca 0.36 2.40 -0.38 0.00 -0.36 0.00 0.00 55.97 57.99 1frs s LYS 113 Cb 0.20 -3.07 -0.15 0.00 -1.51 0.00 0.00 37.83 33.30 1frs s LYS 113 CO 0.32 -0.48 1.65 2.41 -0.36 0.00 0.00 175.35 178.89 1frs n THR 114 N 2.09 0.25 0.00 3.43 -1.04 -1.26 -0.41 114.28 117.34 1frs n THR 114 Ca 0.06 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 1frs n THR 114 Cb 0.39 -1.23 0.00 0.00 -1.82 0.00 0.00 70.33 67.68 1frs n THR 114 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1frs n GLY 115 N 3.77 3.00 3.75 3.41 0.00 -1.26 -5.03 105.19 112.82 1frs n GLY 115 Ca 0.23 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1frs n GLY 115 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1frs s ASN 116 N 0.75 7.14 0.42 1.61 0.01 0.45 -4.87 114.94 120.46 1frs s ASN 116 Ca 0.00 2.33 0.15 0.00 -0.71 0.00 0.00 52.86 54.63 1frs s ASN 116 Cb 0.00 -2.63 1.02 0.00 0.41 0.00 0.00 41.25 40.06 1frs s ASN 116 CO 0.00 -0.26 1.90 1.55 -1.51 0.00 0.00 177.10 178.78 1frs h PRO 117 N 4.13 0.44 0.33 -0.60 0.13 -1.85 -2.16 132.00 132.41 1frs h PRO 117 Ca -0.46 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 1frs h PRO 117 Cb 1.21 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 1frs h PRO 117 CO 0.69 0.29 -0.21 0.82 -0.23 0.00 0.00 178.00 179.35 1frs h ILE 118 N 0.45 0.55 -1.03 -3.56 5.03 -1.92 -0.68 117.51 116.35 1frs h ILE 118 Ca 0.40 0.00 0.29 0.00 -0.12 0.00 0.00 64.86 65.42 1frs h ILE 118 Cb 0.88 0.55 -0.13 0.00 -3.03 0.00 0.00 36.82 35.09 1frs h ILE 118 CO -0.14 0.00 0.62 0.00 -0.68 0.00 0.00 178.15 177.95 1frs h ALA 119 N 0.12 1.98 0.53 1.87 0.00 -1.51 0.22 119.26 122.46 1frs h ALA 119 Ca -0.03 0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1frs h ALA 119 Cb 0.44 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.31 1frs h ALA 119 CO 0.02 -0.50 -0.25 1.15 0.00 0.00 0.00 179.25 179.67 1frs h THR 120 N 0.43 0.16 -0.38 0.00 2.02 -0.94 -3.01 112.91 111.20 1frs h THR 120 Ca 0.68 -0.48 -0.04 0.00 0.77 0.00 0.00 66.41 67.34 1frs h THR 120 Cb 1.51 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 68.13 1frs h THR 120 CO -0.48 0.03 0.06 0.00 0.37 0.00 0.00 175.52 175.50 1frs h ALA 121 N -1.00 1.40 -0.09 6.16 0.00 0.71 0.83 119.26 127.27 1frs h ALA 121 Ca -0.07 -0.17 0.04 0.00 0.00 0.00 0.00 54.91 54.71 1frs h ALA 121 Cb 0.59 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 1frs h ALA 121 CO 0.12 0.43 -0.22 0.82 0.00 0.00 0.00 179.25 180.40 1frs h ILE 122 N 0.56 0.47 0.00 0.00 2.04 -1.34 0.30 117.51 119.53 1frs h ILE 122 Ca 0.13 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.99 1frs h ILE 122 Cb 0.26 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 1frs h ILE 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.15 1frs n ALA 123 N -2.66 2.00 0.43 1.87 0.00 -0.17 -2.44 120.51 119.54 1frs n ALA 123 Ca -0.03 -0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.40 1frs n ALA 123 Cb 0.27 -1.32 0.10 0.00 0.00 0.00 0.00 19.45 18.49 1frs n ALA 123 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1frs n ALA 124 N -1.37 2.42 -3.58 0.00 0.00 0.97 -4.97 120.51 113.97 1frs n ALA 124 Ca 0.08 -0.76 -0.24 0.00 0.00 0.00 0.00 53.44 52.51 1frs n ALA 124 Cb 0.19 -0.55 0.05 0.00 0.00 0.00 0.00 19.45 19.14 1frs n ALA 124 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1frs n ASN 125 N 0.89 -4.30 -4.09 0.00 3.02 -0.58 -4.99 115.26 105.20 1frs n ASN 125 Ca 0.11 -0.88 -0.10 0.00 -0.03 0.00 0.00 54.58 53.69 1frs n ASN 125 Cb 0.42 -4.06 -0.09 0.00 -0.61 0.00 0.00 39.78 35.44 1frs n ASN 125 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1frs s SER 126 N -3.74 0.23 0.40 6.41 0.15 -0.66 -5.06 113.70 111.43 1frs s SER 126 Ca 0.32 -1.09 0.06 0.00 0.70 0.00 0.00 55.95 55.94 1frs s SER 126 Cb -0.09 0.33 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 1frs s SER 126 CO 0.82 -0.77 0.56 -0.83 1.20 0.00 0.00 173.24 174.21 1frs s GLY 127 N -3.02 1.78 0.20 9.45 0.00 -1.26 -4.34 107.32 110.14 1frs s GLY 127 Ca 0.21 -1.51 -0.21 0.00 0.00 0.00 0.00 44.72 43.20 1frs s GLY 127 CO 0.01 -1.36 0.74 -0.42 0.00 0.00 0.00 173.10 172.06 1frs s ILE 128 N -2.34 4.51 0.00 0.90 1.09 -1.26 -4.90 121.20 119.20 1frs s ILE 128 Ca 0.51 1.42 0.00 0.00 -1.10 0.00 0.00 60.65 61.48 1frs s ILE 128 Cb -0.10 -3.94 0.00 0.00 -1.06 0.00 0.00 42.46 37.36 1frs s ILE 128 CO 0.33 0.31 0.00 0.00 -0.10 0.00 0.00 174.94 175.48