#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i85 s LYS 2 N 0.00 3.75 -0.03 1.96 1.02 -1.26 0.39 119.74 125.57 1i85 s LYS 2 Ca 0.00 -0.22 -0.01 0.00 0.02 0.00 0.00 55.97 55.76 1i85 s LYS 2 Cb 0.00 -3.24 0.03 0.00 -0.52 0.00 0.00 37.83 34.10 1i85 s LYS 2 CO 0.00 0.52 0.06 0.96 -0.92 0.00 0.00 175.35 175.97 1i85 s ILE 3 N -0.31 -0.06 -0.13 2.17 -5.25 -0.76 -4.93 121.20 111.94 1i85 s ILE 3 Ca 0.10 0.22 -0.07 0.00 -0.99 0.00 0.00 60.65 59.91 1i85 s ILE 3 Cb -0.12 -0.12 -0.04 0.00 2.95 0.00 0.00 42.46 45.13 1i85 s ILE 3 CO 0.01 0.09 0.13 -1.10 -1.79 0.00 0.00 174.94 172.27 1i85 s GLN 4 N 1.13 3.51 0.06 0.37 -0.21 -1.26 -2.99 119.66 120.27 1i85 s GLN 4 Ca -0.09 -0.17 0.01 0.00 0.02 0.00 0.00 55.36 55.14 1i85 s GLN 4 Cb -0.13 -3.18 -0.03 0.00 1.00 0.00 0.00 33.01 30.67 1i85 s GLN 4 CO -0.04 0.70 -0.06 0.00 -2.12 0.00 0.00 175.29 173.78 1i85 s ALA 5 N -0.82 0.67 0.24 6.09 0.00 -0.62 -4.99 121.76 122.33 1i85 s ALA 5 Ca 0.14 -1.04 -0.01 0.00 0.00 0.00 0.00 51.96 51.05 1i85 s ALA 5 Cb -0.12 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 1i85 s ALA 5 CO 0.03 -0.18 0.44 0.71 0.00 0.00 0.00 175.76 176.76 1i85 s TYR 6 N -2.67 3.48 -0.01 0.00 1.51 -1.26 0.82 117.35 119.23 1i85 s TYR 6 Ca 0.00 0.37 -0.36 0.00 -1.01 0.00 0.00 57.07 56.08 1i85 s TYR 6 Cb -0.01 -1.88 -0.15 0.00 -0.11 0.00 0.00 41.96 39.81 1i85 s TYR 6 CO -0.03 0.31 1.60 0.34 -1.11 0.00 0.00 175.55 176.66 1i85 n PHE 7 N -0.90 2.01 -0.96 2.71 7.35 0.78 -0.81 117.46 127.63 1i85 n PHE 7 Ca -0.04 0.38 0.00 0.00 -0.76 0.00 0.00 57.45 57.03 1i85 n PHE 7 Cb 0.54 -2.49 0.00 0.00 0.35 0.00 0.00 39.48 37.89 1i85 n PHE 7 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1i85 n ASN 8 N 4.24 -2.78 -1.24 -2.13 4.05 -0.52 -4.95 115.26 111.93 1i85 n ASN 8 Ca 0.21 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.24 1i85 n ASN 8 Cb 0.23 -1.17 0.00 0.00 1.23 0.00 0.00 39.78 40.07 1i85 n ASN 8 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 1i85 n GLU 9 N -1.91 1.75 -3.94 1.20 -0.58 0.01 -4.47 120.64 112.69 1i85 n GLU 9 Ca 0.00 0.00 -0.22 0.00 -0.42 0.00 0.00 57.16 56.52 1i85 n GLU 9 Cb 0.10 0.00 -0.05 0.00 -0.57 0.00 0.00 31.44 30.92 1i85 n GLU 9 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1i85 s THR 10 N 1.29 3.03 0.00 2.62 2.01 -1.26 -0.88 115.64 122.45 1i85 s THR 10 Ca 0.00 -1.55 0.01 0.00 0.31 0.00 0.00 61.69 60.46 1i85 s THR 10 Cb 0.00 -3.04 -0.01 0.00 0.01 0.00 0.00 72.50 69.46 1i85 s THR 10 CO 0.00 -0.13 -0.03 0.00 -0.69 0.00 0.00 174.62 173.76 1i85 s ALA 11 N -2.42 0.26 -0.46 7.40 0.00 0.47 -4.62 121.76 122.38 1i85 s ALA 11 Ca 0.40 -0.23 -0.09 0.00 0.00 0.00 0.00 51.96 52.04 1i85 s ALA 11 Cb -0.03 -0.03 0.11 0.00 0.00 0.00 0.00 23.12 23.18 1i85 s ALA 11 CO 0.24 0.03 0.34 -0.51 0.00 0.00 0.00 175.76 175.86 1i85 s ASP 12 N -0.35 5.70 -0.81 0.00 1.11 -1.26 0.26 116.67 121.32 1i85 s ASP 12 Ca -0.02 -1.84 -0.21 0.00 0.18 0.00 0.00 52.55 50.66 1i85 s ASP 12 Cb -0.03 -2.01 0.10 0.00 1.07 0.00 0.00 42.92 42.04 1i85 s ASP 12 CO -0.00 -0.67 1.08 -0.76 1.18 0.00 0.00 175.17 175.99 1i85 s LEU 13 N 1.38 4.60 0.72 1.23 1.02 -0.83 -4.90 118.68 121.90 1i85 s LEU 13 Ca 0.05 -1.49 -0.13 0.00 0.02 0.00 0.00 54.13 52.58 1i85 s LEU 13 Cb -0.26 -2.42 0.03 0.00 0.02 0.00 0.00 46.19 43.56 1i85 s LEU 13 CO -0.00 -1.28 1.12 -2.16 0.02 0.00 0.00 176.35 174.04 1i85 s PRO 14 N 3.54 2.45 -0.03 1.29 0.04 -1.26 -2.15 135.00 138.87 1i85 s PRO 14 Ca 0.29 1.38 0.22 0.00 0.04 0.00 0.00 61.00 62.92 1i85 s PRO 14 Cb -0.10 -1.91 -0.31 0.00 0.04 0.00 0.00 34.50 32.22 1i85 s PRO 14 CO -0.00 -1.52 0.48 0.00 0.04 0.00 0.00 177.00 176.00 1i85 n GLN 16 N -2.32 0.00 -0.84 0.00 6.02 -1.26 -4.51 117.38 114.46 1i85 n GLN 16 Ca -0.06 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.59 1i85 n GLN 16 Cb 0.62 -3.19 0.10 0.00 1.02 0.00 0.00 30.24 28.79 1i85 n GLN 16 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1i85 n PHE 17 N -1.98 -2.29 -2.89 1.08 7.35 -1.26 -4.98 117.46 112.49 1i85 n PHE 17 Ca 0.00 0.17 -0.13 0.00 -0.76 0.00 0.00 57.45 56.74 1i85 n PHE 17 Cb 0.00 -1.70 0.03 0.00 0.35 0.00 0.00 39.48 38.16 1i85 n PHE 17 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1i85 n ALA 18 N -3.37 0.00 0.00 3.13 0.00 -1.26 -4.98 120.51 114.03 1i85 n ALA 18 Ca 0.05 -2.09 0.00 0.00 0.00 0.00 0.00 53.44 51.39 1i85 n ALA 18 Cb 0.54 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.87 1i85 n ALA 18 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1i85 n ASN 19 N 1.02 0.00 -0.06 0.00 2.85 -1.26 -4.88 115.26 112.93 1i85 n ASN 19 Ca 0.13 0.00 -0.06 0.00 -0.11 0.00 0.00 54.58 54.53 1i85 n ASN 19 Cb 0.64 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.64 1i85 n ASN 19 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1i85 n SER 20 N 0.00 1.55 -1.66 1.20 7.64 -1.26 -4.53 113.62 116.56 1i85 n SER 20 Ca 0.00 0.26 -0.04 0.00 1.01 0.00 0.00 58.87 60.09 1i85 n SER 20 Cb 0.00 -0.63 -0.04 0.00 -1.01 0.00 0.00 64.21 62.53 1i85 n SER 20 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i85 n GLN 21 N -4.04 1.30 0.00 1.43 1.13 -1.26 -4.92 117.38 111.02 1i85 n GLN 21 Ca -0.10 -0.37 0.00 0.00 -1.94 0.00 0.00 57.00 54.60 1i85 n GLN 21 Cb 0.37 -1.28 0.00 0.00 0.11 0.00 0.00 30.24 29.43 1i85 n GLN 21 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1i85 n ASN 22 N 1.64 0.00 -4.25 1.08 3.02 -1.26 -4.96 115.26 110.53 1i85 n ASN 22 Ca 0.12 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.51 1i85 n ASN 22 Cb 0.60 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.67 1i85 n ASN 22 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1i85 s GLN 23 N 0.00 1.06 0.20 3.52 -0.21 -1.26 -5.15 119.66 117.82 1i85 s GLN 23 Ca 0.00 -1.37 -0.02 0.00 0.02 0.00 0.00 55.36 53.99 1i85 s GLN 23 Cb 0.00 -0.78 -0.05 0.00 1.00 0.00 0.00 33.01 33.19 1i85 s GLN 23 CO 0.00 0.12 0.41 -1.54 -2.12 0.00 0.00 175.29 172.17 1i85 s SER 24 N -2.87 6.42 0.00 5.90 1.04 -1.26 -4.94 113.70 117.98 1i85 s SER 24 Ca 0.14 0.49 0.03 0.00 0.48 0.00 0.00 55.95 57.08 1i85 s SER 24 Cb -0.01 -2.05 0.15 0.00 0.10 0.00 0.00 66.02 64.21 1i85 s SER 24 CO 0.02 -0.04 0.51 0.18 0.98 0.00 0.00 173.24 174.89 1i85 n LEU 25 N -0.52 0.00 -0.07 2.42 4.77 -1.26 -2.08 117.00 120.26 1i85 n LEU 25 Ca -0.04 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.84 1i85 n LEU 25 Cb 0.53 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.55 1i85 n LEU 25 CO 0.48 0.00 -0.02 -1.28 -1.33 0.00 0.00 177.39 175.25 1i85 h SER 26 N 0.00 0.00 -0.23 -1.43 0.87 -1.92 0.69 113.55 111.53 1i85 h SER 26 Ca 0.00 -0.46 -0.11 0.00 -1.23 0.00 0.00 61.79 59.99 1i85 h SER 26 Cb 0.00 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 61.89 1i85 h SER 26 CO 0.00 0.92 0.14 -1.84 -0.53 0.00 0.00 176.83 175.52 1i85 n GLU 27 N -4.62 1.37 -4.01 2.24 0.28 -0.88 -4.08 120.64 110.92 1i85 n GLU 27 Ca -0.11 -0.73 -0.09 0.00 -0.16 0.00 0.00 57.16 56.06 1i85 n GLU 27 Cb 0.35 -1.33 -0.08 0.00 1.43 0.00 0.00 31.44 31.81 1i85 n GLU 27 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1i85 s LEU 28 N -0.78 1.33 -0.05 -1.84 1.43 -1.22 -3.46 118.68 114.08 1i85 s LEU 28 Ca 0.14 -0.96 -0.00 0.00 -1.03 0.00 0.00 54.13 52.28 1i85 s LEU 28 Cb 0.11 0.85 0.03 0.00 0.03 0.00 0.00 46.19 47.21 1i85 s LEU 28 CO 0.03 -0.81 -0.01 -0.69 0.23 0.00 0.00 176.35 175.09 1i85 s VAL 29 N -3.98 0.34 -0.06 -1.59 1.01 -0.89 -2.78 120.40 112.45 1i85 s VAL 29 Ca 0.18 0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.23 1i85 s VAL 29 Cb 0.05 -0.44 0.01 0.00 0.00 0.00 0.00 36.38 36.00 1i85 s VAL 29 CO -0.01 0.21 -0.13 -0.69 0.00 0.00 0.00 175.10 174.47 1i85 s VAL 30 N 1.35 1.20 0.27 2.92 1.01 -0.80 -1.87 120.40 124.47 1i85 s VAL 30 Ca -0.05 -0.54 -0.07 0.00 0.00 0.00 0.00 61.98 61.32 1i85 s VAL 30 Cb -0.13 -1.07 -0.01 0.00 0.00 0.00 0.00 36.38 35.16 1i85 s VAL 30 CO -0.02 0.36 0.41 0.72 0.00 0.00 0.00 175.10 176.57 1i85 s PHE 31 N 0.44 0.74 0.02 5.22 -0.71 -1.10 0.11 117.98 122.70 1i85 s PHE 31 Ca -0.11 -1.03 0.01 0.00 -1.04 0.00 0.00 56.93 54.76 1i85 s PHE 31 Cb -0.14 -0.05 -0.02 0.00 -1.21 0.00 0.00 43.02 41.61 1i85 s PHE 31 CO 0.03 -0.97 -0.05 -1.58 -1.34 0.00 0.00 175.22 171.31 1i85 s TRP 32 N -3.75 0.46 0.06 3.49 0.51 -1.15 -1.95 118.94 116.62 1i85 s TRP 32 Ca 0.28 -0.34 -0.05 0.00 -2.12 0.00 0.00 56.10 53.87 1i85 s TRP 32 Cb 0.01 -0.29 -0.02 0.00 -0.81 0.00 0.00 33.47 32.36 1i85 s TRP 32 CO 0.13 -0.07 0.09 1.14 -0.51 0.00 0.00 176.95 177.73 1i85 s GLN 33 N -0.99 0.69 0.00 4.98 -2.07 -1.08 -1.92 119.66 119.27 1i85 s GLN 33 Ca -0.07 -0.96 0.00 0.00 -1.82 0.00 0.00 55.36 52.51 1i85 s GLN 33 Cb -0.07 0.26 0.00 0.00 -1.09 0.00 0.00 33.01 32.12 1i85 s GLN 33 CO -0.00 -0.18 0.00 -0.40 -1.32 0.00 0.00 175.29 173.39 1i85 n ASP 34 N 0.28 0.28 0.15 12.60 3.85 -1.18 -1.28 116.55 131.26 1i85 n ASP 34 Ca -0.16 -0.01 0.11 0.00 -0.71 0.00 0.00 54.79 54.01 1i85 n ASP 34 Cb 0.61 0.00 0.56 0.00 -1.35 0.00 0.00 41.12 40.93 1i85 n ASP 34 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1i85 n GLN 35 N -0.01 0.15 -0.15 0.11 6.02 -0.64 -2.36 117.38 120.49 1i85 n GLN 35 Ca 0.00 0.59 0.07 0.00 -0.01 0.00 0.00 57.00 57.65 1i85 n GLN 35 Cb 0.00 -1.93 0.13 0.00 1.02 0.00 0.00 30.24 29.46 1i85 n GLN 35 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1i85 n GLU 36 N -2.24 2.32 -2.64 -1.09 1.02 -1.26 -4.98 120.64 111.77 1i85 n GLU 36 Ca -0.01 -2.29 -0.20 0.00 -0.02 0.00 0.00 57.16 54.64 1i85 n GLU 36 Cb 0.07 -1.42 0.01 0.00 -0.02 0.00 0.00 31.44 30.08 1i85 n GLU 36 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1i85 n ASN 37 N -0.71 -5.63 -4.96 1.62 3.02 -1.00 -5.00 115.26 102.60 1i85 n ASN 37 Ca 0.13 -0.13 -0.22 0.00 -0.03 0.00 0.00 54.58 54.32 1i85 n ASN 37 Cb 0.57 -4.57 0.04 0.00 -0.61 0.00 0.00 39.78 35.20 1i85 n ASN 37 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1i85 s LEU 38 N -5.80 3.27 -0.06 3.41 1.43 -1.26 -4.89 118.68 114.79 1i85 s LEU 38 Ca 0.13 0.11 0.05 0.00 -1.03 0.00 0.00 54.13 53.39 1i85 s LEU 38 Cb -0.06 -2.97 -0.02 0.00 0.03 0.00 0.00 46.19 43.18 1i85 s LEU 38 CO 0.16 -1.13 -0.21 -0.69 0.23 0.00 0.00 176.35 174.71 1i85 s VAL 39 N -2.80 2.46 0.00 -1.59 1.01 -1.26 -3.07 120.40 115.14 1i85 s VAL 39 Ca 0.56 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.61 1i85 s VAL 39 Cb -0.10 -1.93 0.00 0.00 0.00 0.00 0.00 36.38 34.35 1i85 s VAL 39 CO 0.39 0.57 0.00 0.18 0.00 0.00 0.00 175.10 176.24 1i85 n LEU 40 N 2.79 1.25 -4.34 3.92 4.77 -0.81 -1.79 117.00 122.80 1i85 n LEU 40 Ca -0.17 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.60 1i85 n LEU 40 Cb 0.52 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.50 1i85 n LEU 40 CO 0.26 0.00 -0.47 0.21 -1.33 0.00 0.00 177.39 176.06 1i85 s ASN 41 N -1.00 2.65 -0.02 -1.43 3.84 -1.26 -4.64 114.94 113.09 1i85 s ASN 41 Ca 0.00 -0.91 0.00 0.00 0.21 0.00 0.00 52.86 52.17 1i85 s ASN 41 Cb 0.00 -0.15 0.02 0.00 -0.55 0.00 0.00 41.25 40.56 1i85 s ASN 41 CO 0.00 -0.07 0.00 -0.70 -2.79 0.00 0.00 177.10 173.54 1i85 s GLU 42 N -3.04 0.15 -0.46 0.43 2.12 -1.26 -2.91 118.70 113.73 1i85 s GLU 42 Ca 0.18 0.05 0.03 0.00 0.36 0.00 0.00 54.97 55.59 1i85 s GLU 42 Cb -0.04 -0.29 0.12 0.00 0.26 0.00 0.00 34.13 34.18 1i85 s GLU 42 CO 0.07 -0.08 0.19 0.08 -0.54 0.00 0.00 175.26 174.98 1i85 s VAL 43 N 0.63 2.55 0.01 3.70 1.01 0.12 -2.61 120.40 125.82 1i85 s VAL 43 Ca -0.06 -2.94 -0.22 0.00 0.00 0.00 0.00 61.98 58.76 1i85 s VAL 43 Cb -0.09 -2.80 -0.05 0.00 0.00 0.00 0.00 36.38 33.44 1i85 s VAL 43 CO -0.01 -0.73 0.66 -0.47 0.00 0.00 0.00 175.10 174.55 1i85 s TYR 44 N 0.17 3.70 -0.19 5.22 5.04 0.10 -1.91 117.35 129.48 1i85 s TYR 44 Ca 0.15 1.31 -0.02 0.00 -2.44 0.00 0.00 57.07 56.06 1i85 s TYR 44 Cb -0.23 -2.70 0.02 0.00 0.35 0.00 0.00 41.96 39.41 1i85 s TYR 44 CO -0.03 0.32 0.06 1.28 -1.34 0.00 0.00 175.55 175.84 1i85 n LEU 45 N 2.78 -0.08 0.00 6.97 4.77 -1.12 0.20 117.00 130.52 1i85 n LEU 45 Ca -0.05 -0.04 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1i85 n LEU 45 Cb 0.51 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1i85 n LEU 45 CO 0.45 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1i85 n GLY 46 N -0.33 1.29 3.24 -0.72 0.00 0.24 -4.15 105.19 104.77 1i85 n GLY 46 Ca 0.01 -0.07 -0.17 0.00 0.00 0.00 0.00 46.02 45.79 1i85 n GLY 46 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1i85 n LYS 47 N 0.00 0.38 -3.96 1.61 5.02 0.54 -4.93 118.16 116.83 1i85 n LYS 47 Ca 0.00 -2.45 -0.31 0.00 -2.02 0.00 0.00 58.31 53.53 1i85 n LYS 47 Cb 0.00 -0.35 -0.15 0.00 -0.02 0.00 0.00 35.03 34.51 1i85 n LYS 47 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1i85 s GLU 48 N -4.39 1.37 0.02 1.97 2.12 -1.26 0.02 118.70 118.54 1i85 s GLU 48 Ca 0.53 -1.64 -0.10 0.00 0.36 0.00 0.00 54.97 54.12 1i85 s GLU 48 Cb -0.04 -2.91 -0.05 0.00 0.26 0.00 0.00 34.13 31.39 1i85 s GLU 48 CO 0.34 -0.91 0.34 0.15 -0.54 0.00 0.00 175.26 174.64 1i85 s LYS 49 N 1.08 3.72 0.00 4.30 1.02 -1.07 -4.96 119.74 123.83 1i85 s LYS 49 Ca 0.09 0.14 0.06 0.00 0.02 0.00 0.00 55.97 56.28 1i85 s LYS 49 Cb -0.19 -3.10 0.05 0.00 -0.52 0.00 0.00 37.83 34.07 1i85 s LYS 49 CO -0.11 0.64 0.68 1.19 -0.92 0.00 0.00 175.35 176.83 1i85 n PHE 50 N 1.33 0.00 -0.39 3.18 3.01 -1.26 -4.07 117.46 119.26 1i85 n PHE 50 Ca -0.12 0.00 0.35 0.00 1.01 0.00 0.00 57.45 58.69 1i85 n PHE 50 Cb 0.53 0.00 0.61 0.00 -0.01 0.00 0.00 39.48 40.61 1i85 n PHE 50 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1i85 n ASP 51 N 0.31 0.25 -2.17 4.37 9.92 -1.26 -0.67 116.55 127.30 1i85 n ASP 51 Ca 0.04 1.41 -0.22 0.00 -0.53 0.00 0.00 54.79 55.49 1i85 n ASP 51 Cb 0.15 -0.69 0.02 0.00 -0.64 0.00 0.00 41.12 39.96 1i85 n ASP 51 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1i85 n SER 52 N -4.81 4.52 -4.79 -2.24 7.64 -1.26 -5.05 113.62 107.63 1i85 n SER 52 Ca 0.37 -3.56 -0.36 0.00 1.01 0.00 0.00 58.87 56.34 1i85 n SER 52 Cb 1.39 -0.37 -0.07 0.00 -1.01 0.00 0.00 64.21 64.15 1i85 n SER 52 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1i85 s VAL 53 N -4.62 5.43 0.43 0.44 1.01 0.16 -4.55 120.40 118.71 1i85 s VAL 53 Ca 0.48 0.23 -0.23 0.00 0.00 0.00 0.00 61.98 62.46 1i85 s VAL 53 Cb 0.40 -3.46 -0.08 0.00 0.00 0.00 0.00 36.38 33.24 1i85 s VAL 53 CO 0.00 0.51 1.12 -2.28 0.00 0.00 0.00 175.10 174.45 1i85 s HIS 54 N -0.18 3.03 0.18 5.22 2.46 -0.74 -4.86 115.29 120.40 1i85 s HIS 54 Ca 0.11 1.57 -0.18 0.00 0.47 0.00 0.00 55.06 57.04 1i85 s HIS 54 Cb -0.12 -3.29 0.13 0.00 -0.13 0.00 0.00 32.58 29.18 1i85 s HIS 54 CO 0.01 -1.17 1.62 0.66 -2.47 0.00 0.00 174.74 173.39 1i85 h SER 55 N 2.24 -0.76 -0.07 9.88 4.64 -1.96 -1.53 113.55 126.00 1i85 h SER 55 Ca -0.49 0.18 0.02 0.00 -0.47 0.00 0.00 61.79 61.03 1i85 h SER 55 Cb 1.23 0.41 -0.00 0.00 -0.31 0.00 0.00 62.40 63.73 1i85 h SER 55 CO 0.61 -0.24 0.14 0.07 -0.87 0.00 0.00 176.83 176.54 1i85 h LYS 56 N -0.11 0.00 0.00 4.77 2.10 -1.94 -2.24 116.57 119.15 1i85 h LYS 56 Ca 0.23 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.68 1i85 h LYS 56 Cb 0.47 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.76 1i85 h LYS 56 CO -0.55 0.00 -2.15 0.66 -2.00 0.00 0.00 179.45 175.41 1i85 n TYR 57 N -3.38 0.08 -1.62 0.07 4.02 -0.66 -4.91 117.16 110.76 1i85 n TYR 57 Ca -0.01 0.03 -0.45 0.00 -0.01 0.00 0.00 57.90 57.45 1i85 n TYR 57 Cb 0.23 -0.80 -0.02 0.00 -0.02 0.00 0.00 39.34 38.73 1i85 n TYR 57 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 176.86 175.73 1i85 n MET 58 N -2.55 1.56 -1.82 -0.72 1.56 -0.72 -2.25 117.12 112.17 1i85 n MET 58 Ca -0.19 0.55 -0.16 0.00 -0.27 0.00 0.00 57.70 57.63 1i85 n MET 58 Cb 0.88 -2.04 -0.04 0.00 2.15 0.00 0.00 33.22 34.17 1i85 n MET 58 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1i85 n GLY 59 N 1.54 0.83 2.71 -5.12 0.00 -1.26 -4.86 105.19 99.03 1i85 n GLY 59 Ca 0.11 -0.22 -0.03 0.00 0.00 0.00 0.00 46.02 45.87 1i85 n GLY 59 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1i85 n ARG 60 N -2.55 1.38 -4.00 1.61 1.85 -0.95 -5.03 116.66 108.98 1i85 n ARG 60 Ca -0.18 -2.03 -0.12 0.00 -1.00 0.00 0.00 57.85 54.52 1i85 n ARG 60 Cb 0.58 -0.27 -0.03 0.00 -1.05 0.00 0.00 32.46 31.70 1i85 n ARG 60 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1i85 s THR 61 N -0.99 0.00 -0.28 8.89 -4.23 -1.26 -0.57 115.64 117.20 1i85 s THR 61 Ca 0.18 -1.40 -0.25 0.00 -1.18 0.00 0.00 61.69 59.03 1i85 s THR 61 Cb 0.41 -2.62 0.15 0.00 1.34 0.00 0.00 72.50 71.78 1i85 s THR 61 CO -0.08 0.00 1.20 -0.94 -0.54 0.00 0.00 174.62 174.25 1i85 s SER 62 N -3.15 -0.28 0.05 3.99 1.04 -0.48 -4.89 113.70 109.98 1i85 s SER 62 Ca 0.25 0.54 -0.14 0.00 0.48 0.00 0.00 55.95 57.08 1i85 s SER 62 Cb -0.02 0.54 -0.06 0.00 0.10 0.00 0.00 66.02 66.58 1i85 s SER 62 CO 0.16 -0.10 0.44 0.12 0.98 0.00 0.00 173.24 174.84 1i85 s PHE 63 N 0.08 3.67 -0.70 5.02 5.36 -1.26 -2.03 117.98 128.12 1i85 s PHE 63 Ca 0.05 0.97 0.05 0.00 -0.96 0.00 0.00 56.93 57.03 1i85 s PHE 63 Cb -0.05 -2.28 0.17 0.00 -0.34 0.00 0.00 43.02 40.52 1i85 s PHE 63 CO -0.10 0.57 0.49 0.34 -1.46 0.00 0.00 175.22 175.06 1i85 s ASP 64 N -1.39 4.86 0.65 6.13 -1.08 -1.24 -4.94 116.67 119.66 1i85 s ASP 64 Ca 0.29 -3.79 0.21 0.00 -0.52 0.00 0.00 52.55 48.74 1i85 s ASP 64 Cb -0.16 -1.66 1.06 0.00 -1.46 0.00 0.00 42.92 40.71 1i85 s ASP 64 CO 0.16 -0.10 1.59 0.77 0.52 0.00 0.00 175.17 178.11 1i85 h SER 65 N 5.52 0.00 0.25 -0.34 4.64 -1.95 -1.29 113.55 120.38 1i85 h SER 65 Ca 0.13 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.44 1i85 h SER 65 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1i85 h SER 65 CO 0.72 0.00 -0.12 0.44 -0.87 0.00 0.00 176.83 177.00 1i85 h ASP 66 N 0.00 -0.28 -0.57 4.97 3.45 -1.96 -3.30 116.42 118.73 1i85 h ASP 66 Ca 0.09 -0.23 0.00 0.00 0.43 0.00 0.00 57.03 57.32 1i85 h ASP 66 Cb 1.37 0.07 0.00 0.00 -0.56 0.00 0.00 39.33 40.21 1i85 h ASP 66 CO -0.00 0.12 0.00 -1.20 -1.57 0.00 0.00 179.24 176.59 1i85 n SER 67 N -5.07 4.54 -0.22 6.45 7.64 -0.84 -4.92 113.62 121.21 1i85 n SER 67 Ca -0.09 -2.50 -0.02 0.00 1.01 0.00 0.00 58.87 57.28 1i85 n SER 67 Cb 0.26 -0.55 -0.01 0.00 -1.01 0.00 0.00 64.21 62.90 1i85 n SER 67 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1i85 n TRP 68 N 0.85 -0.07 -0.36 1.43 8.01 -0.55 -4.62 117.44 122.14 1i85 n TRP 68 Ca 0.24 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.43 1i85 n TRP 68 Cb 0.86 -1.54 0.00 0.00 -2.01 0.00 0.00 31.31 28.63 1i85 n TRP 68 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.69 176.93 1i85 n THR 69 N -1.25 0.00 -3.15 -0.99 -2.24 -1.23 -3.55 114.28 101.87 1i85 n THR 69 Ca -0.02 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.81 1i85 n THR 69 Cb 0.30 -1.96 -0.00 0.00 -2.10 0.00 0.00 70.33 66.57 1i85 n THR 69 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1i85 s LEU 70 N 0.00 -1.09 0.16 3.22 2.96 -0.92 -3.70 118.68 119.32 1i85 s LEU 70 Ca 0.00 0.29 -0.30 0.00 -0.22 0.00 0.00 54.13 53.90 1i85 s LEU 70 Cb 0.00 1.76 -0.08 0.00 0.50 0.00 0.00 46.19 48.37 1i85 s LEU 70 CO 0.00 -0.20 1.25 -0.13 -1.32 0.00 0.00 176.35 175.95 1i85 s ARG 71 N 2.89 4.43 -0.26 1.98 0.52 -0.86 -1.96 118.95 125.69 1i85 s ARG 71 Ca 0.15 1.93 -0.03 0.00 -0.52 0.00 0.00 55.73 57.26 1i85 s ARG 71 Cb -0.09 -3.24 0.02 0.00 0.52 0.00 0.00 34.95 32.16 1i85 s ARG 71 CO -0.22 -0.20 -0.01 -1.17 0.02 0.00 0.00 175.30 173.72 1i85 s LEU 72 N 0.12 3.39 0.66 2.53 2.96 0.14 -1.38 118.68 127.10 1i85 s LEU 72 Ca 0.56 -0.79 -0.07 0.00 -0.22 0.00 0.00 54.13 53.61 1i85 s LEU 72 Cb -0.34 -1.74 0.04 0.00 0.50 0.00 0.00 46.19 44.65 1i85 s LEU 72 CO 0.35 -0.14 0.98 -1.00 -1.32 0.00 0.00 176.35 175.22 1i85 s HIS 73 N 1.39 3.07 -0.48 5.38 3.76 0.27 -0.39 115.29 128.29 1i85 s HIS 73 Ca 0.01 0.56 -0.12 0.00 -0.15 0.00 0.00 55.06 55.36 1i85 s HIS 73 Cb -0.17 -3.01 0.02 0.00 1.11 0.00 0.00 32.58 30.53 1i85 s HIS 73 CO -0.02 -1.17 0.45 0.09 -0.85 0.00 0.00 174.74 173.24 1i85 n ASN 74 N -2.80 -3.64 -4.77 1.40 5.03 -1.15 -4.82 115.26 104.52 1i85 n ASN 74 Ca 0.07 -0.46 -0.40 0.00 0.87 0.00 0.00 54.58 54.66 1i85 n ASN 74 Cb 0.59 -1.14 -0.02 0.00 -1.02 0.00 0.00 39.78 38.20 1i85 n ASN 74 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1i85 s LEU 75 N -3.12 4.30 0.00 3.41 1.43 -0.06 -4.84 118.68 119.79 1i85 s LEU 75 Ca 0.12 2.58 0.05 0.00 -1.03 0.00 0.00 54.13 55.85 1i85 s LEU 75 Cb -0.01 -3.83 0.05 0.00 0.03 0.00 0.00 46.19 42.43 1i85 s LEU 75 CO 0.64 -0.66 0.44 0.00 0.23 0.00 0.00 176.35 176.99 1i85 n GLN 76 N 0.41 0.68 -0.37 1.70 1.13 -1.26 -1.44 117.38 118.23 1i85 n GLN 76 Ca 0.02 -3.35 0.05 0.00 -1.94 0.00 0.00 57.00 51.78 1i85 n GLN 76 Cb 0.44 0.30 0.20 0.00 0.11 0.00 0.00 30.24 31.29 1i85 n GLN 76 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 1i85 n ILE 77 N -1.81 1.11 -0.01 5.09 -6.64 -1.26 -3.68 119.36 112.16 1i85 n ILE 77 Ca -0.00 -0.66 -0.00 0.00 -1.77 0.00 0.00 62.75 60.31 1i85 n ILE 77 Cb 0.61 -0.13 -0.01 0.00 -1.44 0.00 0.00 39.64 38.67 1i85 n ILE 77 CO 0.00 0.00 0.00 0.29 -1.77 0.00 0.00 176.55 175.07 1i85 n LYS 78 N 0.46 2.21 0.24 6.28 4.76 -1.26 -4.61 118.16 126.24 1i85 n LYS 78 Ca 0.14 -0.01 0.17 0.00 -2.87 0.00 0.00 58.31 55.74 1i85 n LYS 78 Cb 0.59 -1.04 0.83 0.00 -1.84 0.00 0.00 35.03 33.57 1i85 n LYS 78 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 1i85 h ASP 79 N 0.00 0.00 -0.85 4.39 3.32 -1.96 -3.40 116.42 117.92 1i85 h ASP 79 Ca -0.03 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.72 1i85 h ASP 79 Cb 0.68 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.22 1i85 h ASP 79 CO 0.00 0.00 1.13 0.29 -1.72 0.00 0.00 179.24 178.95 1i85 n LYS 80 N -2.70 0.66 -0.62 3.56 5.02 -1.26 -4.74 118.16 118.09 1i85 n LYS 80 Ca -0.01 -0.30 0.00 0.00 -2.02 0.00 0.00 58.31 55.98 1i85 n LYS 80 Cb 0.12 -3.10 0.00 0.00 -0.02 0.00 0.00 35.03 32.03 1i85 n LYS 80 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1i85 n GLY 81 N 6.30 1.78 3.41 0.72 0.00 -0.08 -4.95 105.19 112.36 1i85 n GLY 81 Ca 0.47 -0.80 -0.37 0.00 0.00 0.00 0.00 46.02 45.32 1i85 n GLY 81 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1i85 s LEU 82 N 0.00 3.50 0.07 0.99 0.20 -1.26 0.16 118.68 122.34 1i85 s LEU 82 Ca 0.00 -0.36 0.07 0.00 0.69 0.00 0.00 54.13 54.53 1i85 s LEU 82 Cb 0.00 -1.90 -0.04 0.00 -0.43 0.00 0.00 46.19 43.83 1i85 s LEU 82 CO 0.00 -0.08 -0.13 -0.31 -0.29 0.00 0.00 176.35 175.54 1i85 s TYR 83 N 1.57 2.68 -0.04 5.38 1.51 0.39 -1.62 117.35 127.23 1i85 s TYR 83 Ca 0.05 -0.18 0.02 0.00 -1.01 0.00 0.00 57.07 55.95 1i85 s TYR 83 Cb -0.16 -1.46 0.01 0.00 -0.11 0.00 0.00 41.96 40.25 1i85 s TYR 83 CO 0.03 0.36 -0.07 1.14 -1.11 0.00 0.00 175.55 175.90 1i85 s GLN 84 N -1.84 0.91 -0.03 -0.62 -2.07 -0.40 0.23 119.66 115.85 1i85 s GLN 84 Ca 0.18 -0.20 -0.14 0.00 -1.82 0.00 0.00 55.36 53.38 1i85 s GLN 84 Cb -0.11 -0.87 -0.05 0.00 -1.09 0.00 0.00 33.01 30.89 1i85 s GLN 84 CO 0.10 0.01 0.37 0.00 -1.32 0.00 0.00 175.29 174.44 1i85 s ILE 86 N -0.88 0.83 -0.09 0.00 1.01 -0.82 -0.98 121.20 120.27 1i85 s ILE 86 Ca 0.22 -1.19 -0.03 0.00 0.00 0.00 0.00 60.65 59.65 1i85 s ILE 86 Cb -0.16 -0.84 0.05 0.00 0.01 0.00 0.00 42.46 41.52 1i85 s ILE 86 CO 0.11 -0.30 0.17 -0.63 0.00 0.00 0.00 174.94 174.29 1i85 s ILE 87 N -1.32 -0.24 0.17 2.92 1.01 0.00 -2.70 121.20 121.04 1i85 s ILE 87 Ca -0.06 0.33 0.06 0.00 0.00 0.00 0.00 60.65 60.98 1i85 s ILE 87 Cb -0.10 -0.30 -0.04 0.00 0.01 0.00 0.00 42.46 42.03 1i85 s ILE 87 CO 0.01 0.14 0.12 -1.00 0.00 0.00 0.00 174.94 174.21 1i85 s HIS 88 N 2.16 3.09 -0.67 3.97 3.76 -0.78 0.37 115.29 127.19 1i85 s HIS 88 Ca 0.01 -0.04 -0.01 0.00 -0.15 0.00 0.00 55.06 54.87 1i85 s HIS 88 Cb -0.12 -1.48 0.17 0.00 1.11 0.00 0.00 32.58 32.26 1i85 s HIS 88 CO -0.06 0.52 0.48 -1.58 -0.85 0.00 0.00 174.74 173.25 1i85 s HIS 89 N -1.78 3.47 -0.91 1.40 2.46 0.31 -2.09 115.29 118.16 1i85 s HIS 89 Ca 0.31 -2.93 -0.25 0.00 0.47 0.00 0.00 55.06 52.65 1i85 s HIS 89 Cb -0.10 -3.09 -0.19 0.00 -0.13 0.00 0.00 32.58 29.08 1i85 s HIS 89 CO 0.23 -0.77 2.25 1.17 -2.47 0.00 0.00 174.74 175.14 1i85 n LYS 90 N 3.02 0.33 -0.03 2.88 4.81 -1.22 -3.40 118.16 124.53 1i85 n LYS 90 Ca 0.11 -1.19 0.00 0.00 -0.87 0.00 0.00 58.31 56.37 1i85 n LYS 90 Cb 0.36 -3.68 0.00 0.00 0.02 0.00 0.00 35.03 31.74 1i85 n LYS 90 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1i85 n LYS 91 N 8.33 0.66 0.06 1.64 5.02 -1.22 -4.84 118.16 127.80 1i85 n LYS 91 Ca 0.44 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.52 1i85 n LYS 91 Cb 0.44 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.31 1i85 n LYS 91 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 1i85 h PRO 92 N 0.00 0.33 -0.02 1.97 0.11 -2.02 -3.27 132.00 129.10 1i85 h PRO 92 Ca 0.00 -0.56 0.00 0.00 0.11 0.00 0.00 66.00 65.55 1i85 h PRO 92 Cb 0.00 0.21 -0.00 0.00 0.11 0.00 0.00 31.00 31.32 1i85 h PRO 92 CO 0.00 1.23 0.01 1.79 -0.21 0.00 0.00 178.00 180.82 1i85 h THR 93 N 0.09 0.72 0.00 -1.15 1.35 -1.97 -3.47 112.91 108.48 1i85 h THR 93 Ca -0.33 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 1i85 h THR 93 Cb 2.07 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 69.48 1i85 h THR 93 CO 0.16 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.04 1i85 n GLY 94 N -1.42 4.32 3.77 5.82 0.00 -1.23 -5.09 105.19 111.36 1i85 n GLY 94 Ca -0.03 -1.48 -0.41 0.00 0.00 0.00 0.00 46.02 44.11 1i85 n GLY 94 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1i85 s MET 95 N -3.39 4.17 -0.01 1.61 -1.94 -1.26 -3.42 119.30 115.06 1i85 s MET 95 Ca 0.00 2.49 0.02 0.00 -1.71 0.00 0.00 55.69 56.48 1i85 s MET 95 Cb 0.00 -3.00 0.00 0.00 2.01 0.00 0.00 34.83 33.84 1i85 s MET 95 CO 0.00 -0.47 -0.05 0.42 -0.01 0.00 0.00 175.02 174.91 1i85 s ILE 96 N -0.89 0.43 0.42 2.53 1.01 -1.22 -4.92 121.20 118.56 1i85 s ILE 96 Ca 0.54 -0.19 -0.25 0.00 0.00 0.00 0.00 60.65 60.75 1i85 s ILE 96 Cb -0.45 -0.38 -0.08 0.00 0.01 0.00 0.00 42.46 41.55 1i85 s ILE 96 CO 0.58 0.14 1.19 -0.60 0.00 0.00 0.00 174.94 176.24 1i85 s ARG 97 N 0.10 3.95 0.00 2.79 3.52 -1.26 0.12 118.95 128.16 1i85 s ARG 97 Ca -0.01 1.87 0.00 0.00 -0.13 0.00 0.00 55.73 57.47 1i85 s ARG 97 Cb -0.05 -2.61 0.00 0.00 -1.56 0.00 0.00 34.95 30.74 1i85 s ARG 97 CO -0.00 -0.42 0.06 0.44 -0.81 0.00 0.00 175.30 174.57 1i85 n ILE 98 N -0.09 0.00 -3.60 4.11 -5.35 0.16 -4.79 119.36 109.80 1i85 n ILE 98 Ca 0.05 -0.18 -0.10 0.00 -0.27 0.00 0.00 62.75 62.25 1i85 n ILE 98 Cb 0.46 1.21 -0.06 0.00 -1.74 0.00 0.00 39.64 39.52 1i85 n ILE 98 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 1i85 s HIS 99 N -0.24 -0.40 -0.30 4.28 5.04 -0.97 -4.97 115.29 117.73 1i85 s HIS 99 Ca 0.00 0.80 -0.07 0.00 -1.54 0.00 0.00 55.06 54.25 1i85 s HIS 99 Cb 0.00 0.42 0.16 0.00 0.04 0.00 0.00 32.58 33.20 1i85 s HIS 99 CO 0.00 -0.29 0.69 -1.14 -2.34 0.00 0.00 174.74 171.66 1i85 s GLN 100 N -0.61 0.52 0.06 2.88 -0.44 -1.25 -0.82 119.66 119.99 1i85 s GLN 100 Ca 0.00 1.11 0.07 0.00 -2.50 0.00 0.00 55.36 54.04 1i85 s GLN 100 Cb -0.02 0.64 -0.03 0.00 -1.64 0.00 0.00 33.01 31.97 1i85 s GLN 100 CO -0.02 -0.37 -0.19 -1.64 0.50 0.00 0.00 175.29 173.57 1i85 s MET 101 N 2.84 1.20 0.20 1.67 -1.94 -0.15 -4.94 119.30 118.18 1i85 s MET 101 Ca 0.06 -0.95 0.06 0.00 -1.71 0.00 0.00 55.69 53.16 1i85 s MET 101 Cb -0.13 -1.31 -0.04 0.00 2.01 0.00 0.00 34.83 35.36 1i85 s MET 101 CO -0.19 0.33 0.16 -0.80 -0.01 0.00 0.00 175.02 174.50 1i85 s ASN 102 N -1.35 5.50 -0.09 3.03 -0.87 -1.26 0.24 114.94 120.13 1i85 s ASN 102 Ca 0.05 -0.19 -0.14 0.00 -1.57 0.00 0.00 52.86 51.01 1i85 s ASN 102 Cb -0.09 -1.41 0.03 0.00 -0.02 0.00 0.00 41.25 39.76 1i85 s ASN 102 CO 0.02 0.02 0.37 -0.44 -2.57 0.00 0.00 177.10 174.50 1i85 s SER 103 N -3.43 -0.34 -0.07 -1.22 0.01 0.14 -2.52 113.70 106.27 1i85 s SER 103 Ca 0.32 0.53 -0.03 0.00 1.31 0.00 0.00 55.95 58.08 1i85 s SER 103 Cb -0.09 0.61 -0.04 0.00 0.21 0.00 0.00 66.02 66.71 1i85 s SER 103 CO 0.24 -0.26 0.07 -0.70 0.41 0.00 0.00 173.24 173.00 1i85 s GLU 104 N -0.38 3.16 -0.24 12.44 2.12 0.16 -0.46 118.70 135.50 1i85 s GLU 104 Ca -0.05 -0.34 0.02 0.00 0.36 0.00 0.00 54.97 54.96 1i85 s GLU 104 Cb -0.03 -2.94 0.05 0.00 0.26 0.00 0.00 34.13 31.46 1i85 s GLU 104 CO 0.02 0.71 -0.12 -1.17 -0.54 0.00 0.00 175.26 174.16 1i85 s LEU 105 N -1.23 3.04 -0.32 2.70 2.96 0.42 -1.82 118.68 124.42 1i85 s LEU 105 Ca 0.17 -1.20 -0.09 0.00 -0.22 0.00 0.00 54.13 52.79 1i85 s LEU 105 Cb -0.12 -1.49 0.01 0.00 0.50 0.00 0.00 46.19 45.09 1i85 s LEU 105 CO 0.07 -0.15 0.15 -0.44 -1.32 0.00 0.00 176.35 174.66 1i85 s SER 106 N 1.18 5.52 -0.46 3.68 0.01 -1.16 -0.90 113.70 121.56 1i85 s SER 106 Ca -0.05 -0.69 -0.18 0.00 1.31 0.00 0.00 55.95 56.33 1i85 s SER 106 Cb -0.18 -1.98 0.04 0.00 0.21 0.00 0.00 66.02 64.11 1i85 s SER 106 CO -0.07 -0.25 0.53 -0.69 0.41 0.00 0.00 173.24 173.17 1i85 s VAL 107 N 1.57 4.99 -0.43 3.43 1.01 -1.26 -1.58 120.40 128.13 1i85 s VAL 107 Ca 0.03 -0.42 -0.29 0.00 0.00 0.00 0.00 61.98 61.30 1i85 s VAL 107 Cb -0.18 -4.17 0.03 0.00 0.00 0.00 0.00 36.38 32.06 1i85 s VAL 107 CO 0.06 -0.61 1.14 -0.76 0.00 0.00 0.00 175.10 174.93 1i85 s LEU 108 N 2.35 3.71 0.00 3.92 1.43 0.24 -4.77 118.68 125.57 1i85 s LEU 108 Ca 0.14 0.64 0.19 0.00 -1.03 0.00 0.00 54.13 54.06 1i85 s LEU 108 Cb -0.18 -3.55 1.14 0.00 0.03 0.00 0.00 46.19 43.63 1i85 s LEU 108 CO 0.13 -1.17 1.54 0.00 0.23 0.00 0.00 176.35 177.08