#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mg5 h ILE 17 N 0.00 1.29 -3.08 -0.61 2.04 -1.98 -3.44 117.51 111.73 3mg5 h ILE 17 Ca 0.00 -1.58 -0.53 0.00 1.00 0.00 0.00 64.86 63.76 3mg5 h ILE 17 Cb 0.00 1.47 0.07 0.00 -0.74 0.00 0.00 36.82 37.63 3mg5 h ILE 17 CO 0.00 0.51 0.93 -0.89 0.00 0.00 0.00 178.15 178.70 3mg5 s THR 18 N -4.31 2.07 -5.00 -0.27 2.01 -1.26 -4.82 115.64 104.06 3mg5 s THR 18 Ca -0.09 0.06 0.00 0.00 0.31 0.00 0.00 61.69 61.96 3mg5 s THR 18 Cb 0.12 -3.04 0.00 0.00 0.01 0.00 0.00 72.50 69.59 3mg5 s THR 18 CO 0.85 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 175.40 3mg5 n GLY 19 N 2.86 0.26 3.37 4.40 0.00 -0.38 -4.98 105.19 110.72 3mg5 n GLY 19 Ca 0.11 -1.69 -0.35 0.00 0.00 0.00 0.00 46.02 44.10 3mg5 n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mg5 s THR 20 N -2.38 3.56 0.16 2.61 2.01 -1.26 -1.37 115.64 118.97 3mg5 s THR 20 Ca 0.00 -0.44 0.11 0.00 0.31 0.00 0.00 61.69 61.67 3mg5 s THR 20 Cb 0.00 -2.60 -0.04 0.00 0.01 0.00 0.00 72.50 69.87 3mg5 s THR 20 CO 0.00 0.44 -0.25 0.26 -0.69 0.00 0.00 174.62 174.38 3mg5 s TRP 21 N 1.16 2.32 -0.03 4.92 0.52 0.57 -4.47 118.94 123.91 3mg5 s TRP 21 Ca 0.02 -0.36 0.05 0.00 0.02 0.00 0.00 56.10 55.83 3mg5 s TRP 21 Cb -0.15 -1.20 -0.01 0.00 -1.15 0.00 0.00 33.47 30.97 3mg5 s TRP 21 CO -0.00 0.43 -0.17 0.71 0.02 0.00 0.00 176.95 177.93 3mg5 s TYR 22 N -1.39 1.68 0.54 -1.98 2.02 0.06 -0.47 117.35 117.82 3mg5 s TYR 22 Ca 0.18 -0.43 0.04 0.00 -0.37 0.00 0.00 57.07 56.49 3mg5 s TYR 22 Cb -0.09 -1.12 0.10 0.00 -0.40 0.00 0.00 41.96 40.45 3mg5 s TYR 22 CO 0.08 -0.12 0.74 0.27 -1.57 0.00 0.00 175.55 174.95 3mg5 n ASN 23 N 2.97 1.44 0.12 2.29 0.23 -0.69 -1.89 115.26 119.73 3mg5 n ASN 23 Ca -0.17 -2.11 0.11 0.00 -0.53 0.00 0.00 54.58 51.88 3mg5 n ASN 23 Cb 0.53 -0.44 0.48 0.00 -2.08 0.00 0.00 39.78 38.27 3mg5 n ASN 23 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3mg5 n GLN 24 N -2.27 0.16 0.01 -3.83 0.00 -1.11 -1.65 117.38 108.69 3mg5 n GLN 24 Ca 0.14 0.44 0.12 0.00 0.00 0.00 0.00 57.00 57.69 3mg5 n GLN 24 Cb 0.49 -1.84 0.16 0.00 0.00 0.00 0.00 30.24 29.05 3mg5 n GLN 24 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 3mg5 n LEU 25 N -2.16 0.60 0.00 2.61 4.77 -1.26 -4.96 117.00 116.61 3mg5 n LEU 25 Ca 0.02 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 3mg5 n LEU 25 Cb 0.19 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3mg5 n LEU 25 CO 0.17 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 3mg5 n GLY 26 N 1.47 0.78 3.77 -0.72 0.00 -0.66 -4.71 105.19 105.11 3mg5 n GLY 26 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 3mg5 n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mg5 s SER 27 N -2.25 5.08 -0.15 1.61 0.01 -1.26 -4.62 113.70 112.12 3mg5 s SER 27 Ca 0.00 2.05 0.01 0.00 1.31 0.00 0.00 55.95 59.32 3mg5 s SER 27 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 3mg5 s SER 27 CO 0.00 -1.65 -0.16 -0.89 0.41 0.00 0.00 173.24 170.94 3mg5 s THR 28 N -2.25 2.55 -0.30 1.44 2.01 0.00 -1.70 115.64 117.39 3mg5 s THR 28 Ca 0.68 -0.81 0.02 0.00 0.31 0.00 0.00 61.69 61.90 3mg5 s THR 28 Cb -0.22 -2.07 0.07 0.00 0.01 0.00 0.00 72.50 70.30 3mg5 s THR 28 CO 0.40 0.52 -0.03 0.12 -0.69 0.00 0.00 174.62 174.95 3mg5 s PHE 29 N 0.82 3.45 -0.31 4.92 5.36 0.38 -1.10 117.98 131.50 3mg5 s PHE 29 Ca -0.06 -2.49 -0.09 0.00 -0.96 0.00 0.00 56.93 53.34 3mg5 s PHE 29 Cb -0.15 -2.35 -0.00 0.00 -0.34 0.00 0.00 43.02 40.18 3mg5 s PHE 29 CO -0.00 -0.90 0.13 0.42 -1.46 0.00 0.00 175.22 173.41 3mg5 s ILE 30 N 1.06 4.37 0.03 3.12 1.01 -0.42 -0.32 121.20 130.05 3mg5 s ILE 30 Ca -0.01 -0.53 0.02 0.00 0.00 0.00 0.00 60.65 60.12 3mg5 s ILE 30 Cb -0.20 -3.24 -0.02 0.00 0.01 0.00 0.00 42.46 39.01 3mg5 s ILE 30 CO -0.05 0.06 -0.07 0.54 0.00 0.00 0.00 174.94 175.42 3mg5 s VAL 31 N 1.57 0.51 -0.13 2.92 0.11 -0.47 -1.21 120.40 123.70 3mg5 s VAL 31 Ca 0.04 -0.88 0.03 0.00 -2.93 0.00 0.00 61.98 58.23 3mg5 s VAL 31 Cb -0.17 -0.55 0.01 0.00 -1.53 0.00 0.00 36.38 34.14 3mg5 s VAL 31 CO 0.05 -0.27 -0.21 -0.89 -3.33 0.00 0.00 175.10 170.45 3mg5 s THR 32 N -1.10 1.94 -0.35 5.04 2.01 0.55 -1.25 115.64 122.49 3mg5 s THR 32 Ca -0.07 -0.91 -0.15 0.00 0.31 0.00 0.00 61.69 60.86 3mg5 s THR 32 Cb -0.08 -1.72 -0.01 0.00 0.01 0.00 0.00 72.50 70.70 3mg5 s THR 32 CO 0.00 0.53 0.36 0.00 -0.69 0.00 0.00 174.62 174.83 3mg5 s ALA 33 N 0.79 3.49 0.47 7.40 0.00 -1.26 -1.89 121.76 130.77 3mg5 s ALA 33 Ca -0.08 -1.22 -0.06 0.00 0.00 0.00 0.00 51.96 50.59 3mg5 s ALA 33 Cb -0.16 -2.83 -0.04 0.00 0.00 0.00 0.00 23.12 20.09 3mg5 s ALA 33 CO -0.01 -1.09 0.79 0.20 0.00 0.00 0.00 175.76 175.66 3mg5 s GLY 34 N 1.74 1.59 0.60 0.00 0.00 0.02 -4.86 107.32 106.41 3mg5 s GLY 34 Ca 0.12 -0.43 0.36 0.00 0.00 0.00 0.00 44.72 44.77 3mg5 s GLY 34 CO 0.12 -0.25 2.23 0.00 0.00 0.00 0.00 173.10 175.19 3mg5 h ALA 35 N 0.39 1.18 -0.07 3.20 0.00 -1.98 -2.41 119.26 119.57 3mg5 h ALA 35 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3mg5 h ALA 35 Cb 1.20 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3mg5 h ALA 35 CO 0.62 0.03 0.00 -0.40 0.00 0.00 0.00 179.25 179.51 3mg5 n ASP 36 N -3.37 0.51 0.00 0.00 5.75 -1.26 -4.88 116.55 113.29 3mg5 n ASP 36 Ca -0.02 -1.75 0.00 0.00 -0.01 0.00 0.00 54.79 53.01 3mg5 n ASP 36 Cb 0.14 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 3mg5 n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3mg5 n GLY 37 N 0.77 0.75 3.78 6.12 0.00 -0.91 -5.02 105.19 110.69 3mg5 n GLY 37 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 3mg5 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mg5 s ALA 38 N -2.65 3.23 -0.09 4.61 0.00 -1.25 -0.84 121.76 124.76 3mg5 s ALA 38 Ca 0.00 0.56 0.02 0.00 0.00 0.00 0.00 51.96 52.54 3mg5 s ALA 38 Cb 0.00 -3.20 -0.02 0.00 0.00 0.00 0.00 23.12 19.90 3mg5 s ALA 38 CO 0.00 0.14 -0.16 -0.51 0.00 0.00 0.00 175.76 175.24 3mg5 s LEU 39 N -1.95 2.61 0.01 0.00 1.43 0.02 -0.80 118.68 119.99 3mg5 s LEU 39 Ca 0.49 -0.32 -0.01 0.00 -1.03 0.00 0.00 54.13 53.26 3mg5 s LEU 39 Cb -0.20 -1.55 -0.01 0.00 0.03 0.00 0.00 46.19 44.45 3mg5 s LEU 39 CO 0.26 0.24 0.01 0.42 0.23 0.00 0.00 176.35 177.50 3mg5 s THR 40 N -0.08 0.07 -4.08 5.49 -4.23 -0.79 -1.01 115.64 111.01 3mg5 s THR 40 Ca -0.03 -0.60 0.00 0.00 -1.18 0.00 0.00 61.69 59.88 3mg5 s THR 40 Cb -0.14 -0.21 0.00 0.00 1.34 0.00 0.00 72.50 73.49 3mg5 s THR 40 CO 0.04 -0.33 0.00 0.61 -0.54 0.00 0.00 174.62 174.40 3mg5 n GLY 41 N 2.05 -0.55 3.09 3.99 0.00 -1.13 -0.33 105.19 112.31 3mg5 n GLY 41 Ca -0.20 -0.69 -0.11 0.00 0.00 0.00 0.00 46.02 45.02 3mg5 n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mg5 s THR 42 N -3.99 0.50 -0.01 2.61 -4.23 -0.35 -1.69 115.64 108.47 3mg5 s THR 42 Ca 0.00 -1.38 0.04 0.00 -1.18 0.00 0.00 61.69 59.17 3mg5 s THR 42 Cb 0.00 -0.96 -0.01 0.00 1.34 0.00 0.00 72.50 72.87 3mg5 s THR 42 CO 0.00 -0.60 -0.14 -0.47 -0.54 0.00 0.00 174.62 172.87 3mg5 s TYR 43 N -2.29 1.26 -0.13 3.99 5.04 0.29 -1.31 117.35 124.21 3mg5 s TYR 43 Ca -0.03 -0.25 -0.01 0.00 -2.44 0.00 0.00 57.07 54.34 3mg5 s TYR 43 Cb -0.04 -0.82 0.04 0.00 0.35 0.00 0.00 41.96 41.49 3mg5 s TYR 43 CO -0.02 -0.04 -0.02 -2.00 -1.34 0.00 0.00 175.55 172.13 3mg5 s GLU 44 N -0.27 0.98 0.01 4.97 2.12 -0.26 -0.54 118.70 125.71 3mg5 s GLU 44 Ca 0.04 -0.23 -0.22 0.00 0.36 0.00 0.00 54.97 54.93 3mg5 s GLU 44 Cb -0.06 -1.59 -0.05 0.00 0.26 0.00 0.00 34.13 32.69 3mg5 s GLU 44 CO -0.00 -0.40 0.63 0.45 -0.54 0.00 0.00 175.26 175.40 3mg5 s SER 45 N 1.82 7.03 0.21 -1.70 0.15 -1.26 -0.82 113.70 119.13 3mg5 s SER 45 Ca 0.03 1.23 0.24 0.00 0.70 0.00 0.00 55.95 58.14 3mg5 s SER 45 Cb -0.14 -2.39 0.92 0.00 -1.71 0.00 0.00 66.02 62.70 3mg5 s SER 45 CO -0.07 0.09 1.71 0.00 1.20 0.00 0.00 173.24 176.17 3mg5 n ALA 46 N 2.72 1.84 -2.18 5.45 0.00 -1.26 -4.88 120.51 122.20 3mg5 n ALA 46 Ca -0.06 0.04 -0.11 0.00 0.00 0.00 0.00 53.44 53.31 3mg5 n ALA 46 Cb 0.51 -1.40 -0.10 0.00 0.00 0.00 0.00 19.45 18.46 3mg5 n ALA 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3mg5 s VAL 47 N -3.22 0.10 0.00 0.00 -7.23 -1.26 -5.02 120.40 103.77 3mg5 s VAL 47 Ca 0.07 -1.95 0.00 0.00 -1.81 0.00 0.00 61.98 58.28 3mg5 s VAL 47 Cb 0.10 -2.25 0.00 0.00 0.56 0.00 0.00 36.38 34.79 3mg5 s VAL 47 CO 0.44 -0.26 0.00 0.61 -0.31 0.00 0.00 175.10 175.58 3mg5 n GLY 48 N -0.18 -1.92 3.02 2.32 0.00 -1.26 -4.55 105.19 102.61 3mg5 n GLY 48 Ca -0.02 -1.58 -0.43 0.00 0.00 0.00 0.00 46.02 43.99 3mg5 n GLY 48 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3mg5 n ASN 49 N 0.60 4.92 -3.68 1.61 5.15 -1.26 -4.87 115.26 117.74 3mg5 n ASN 49 Ca 0.00 -3.03 -0.14 0.00 -0.60 0.00 0.00 54.58 50.81 3mg5 n ASN 49 Cb 0.00 -1.54 -0.08 0.00 -0.53 0.00 0.00 39.78 37.62 3mg5 n ASN 49 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3mg5 s ALA 50 N 1.30 -1.24 -0.11 5.20 0.00 -1.26 -4.51 121.76 121.14 3mg5 s ALA 50 Ca 0.42 1.11 -0.12 0.00 0.00 0.00 0.00 51.96 53.38 3mg5 s ALA 50 Cb 0.07 -0.41 0.03 0.00 0.00 0.00 0.00 23.12 22.81 3mg5 s ALA 50 CO -0.01 -0.27 0.33 -1.83 0.00 0.00 0.00 175.76 173.98 3mg5 s GLU 51 N -0.46 0.42 2.63 0.00 -1.05 -1.26 -4.97 118.70 114.00 3mg5 s GLU 51 Ca -0.06 0.37 0.00 0.00 -0.15 0.00 0.00 54.97 55.14 3mg5 s GLU 51 Cb -0.03 0.20 0.00 0.00 -0.44 0.00 0.00 34.13 33.86 3mg5 s GLU 51 CO 0.04 -0.06 0.00 0.45 0.95 0.00 0.00 175.26 176.63 3mg5 n SER 52 N 2.70 -2.24 -4.87 0.83 2.88 -1.26 -4.84 113.62 106.82 3mg5 n SER 52 Ca -0.14 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.07 3mg5 n SER 52 Cb 0.57 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.98 3mg5 n SER 52 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 3mg5 s ARG 53 N 0.00 3.75 0.06 -1.46 0.52 -1.26 -4.48 118.95 116.08 3mg5 s ARG 53 Ca 0.00 0.16 0.08 0.00 -0.52 0.00 0.00 55.73 55.45 3mg5 s ARG 53 Cb 0.00 -2.87 -0.03 0.00 0.52 0.00 0.00 34.95 32.57 3mg5 s ARG 53 CO 0.00 0.47 -0.21 0.71 0.02 0.00 0.00 175.30 176.29 3mg5 s TYR 54 N -1.57 1.87 0.32 -0.53 2.02 0.29 -4.85 117.35 114.91 3mg5 s TYR 54 Ca 0.39 -0.39 -0.29 0.00 -0.37 0.00 0.00 57.07 56.41 3mg5 s TYR 54 Cb -0.13 -1.09 -0.10 0.00 -0.40 0.00 0.00 41.96 40.24 3mg5 s TYR 54 CO 0.21 0.13 1.33 0.08 -1.57 0.00 0.00 175.55 175.73 3mg5 s VAL 55 N -0.89 2.68 0.13 0.71 1.01 -1.26 -0.55 120.40 122.23 3mg5 s VAL 55 Ca 0.08 0.67 0.07 0.00 0.00 0.00 0.00 61.98 62.80 3mg5 s VAL 55 Cb -0.09 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 3mg5 s VAL 55 CO 0.03 0.15 -0.17 -1.48 0.00 0.00 0.00 175.10 173.63 3mg5 s LEU 56 N -1.64 2.40 0.00 3.92 0.05 -0.68 -4.36 118.68 118.37 3mg5 s LEU 56 Ca 0.50 -0.81 -0.07 0.00 0.05 0.00 0.00 54.13 53.80 3mg5 s LEU 56 Cb -0.40 -0.71 0.00 0.00 -2.05 0.00 0.00 46.19 43.03 3mg5 s LEU 56 CO 0.52 -0.07 0.14 0.28 -0.55 0.00 0.00 176.35 176.67 3mg5 s THR 57 N -1.93 0.08 0.00 5.48 -1.32 -1.06 -2.82 115.64 114.08 3mg5 s THR 57 Ca 0.11 -0.68 0.00 0.00 -1.21 0.00 0.00 61.69 59.91 3mg5 s THR 57 Cb -0.06 -0.43 0.00 0.00 -1.51 0.00 0.00 72.50 70.50 3mg5 s THR 57 CO 0.05 -0.37 0.00 0.61 -2.21 0.00 0.00 174.62 172.69 3mg5 n GLY 58 N 1.46 1.75 3.05 6.08 0.00 -0.18 -1.19 105.19 116.17 3mg5 n GLY 58 Ca -0.23 -0.88 -0.08 0.00 0.00 0.00 0.00 46.02 44.83 3mg5 n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mg5 s ARG 59 N -1.14 0.51 0.07 1.61 1.81 -0.47 -0.80 118.95 120.54 3mg5 s ARG 59 Ca 0.00 -0.99 -0.08 0.00 -1.72 0.00 0.00 55.73 52.95 3mg5 s ARG 59 Cb 0.00 0.13 -0.01 0.00 -0.45 0.00 0.00 34.95 34.62 3mg5 s ARG 59 CO 0.00 -0.08 0.16 1.52 -0.68 0.00 0.00 175.30 176.23 3mg5 s TYR 60 N -2.90 0.17 -0.40 -0.53 -0.85 -0.02 -1.31 117.35 111.52 3mg5 s TYR 60 Ca -0.02 -0.57 -0.28 0.00 -0.52 0.00 0.00 57.07 55.68 3mg5 s TYR 60 Cb 0.01 -0.09 -0.01 0.00 0.38 0.00 0.00 41.96 42.24 3mg5 s TYR 60 CO -0.06 -0.50 1.70 0.34 -1.52 0.00 0.00 175.55 175.51 3mg5 s ASP 61 N -2.69 5.91 0.00 -0.18 2.15 -0.40 -4.63 116.67 116.83 3mg5 s ASP 61 Ca 0.03 1.01 0.31 0.00 0.43 0.00 0.00 52.55 54.32 3mg5 s ASP 61 Cb 0.04 -2.53 1.59 0.00 -0.30 0.00 0.00 42.92 41.72 3mg5 s ASP 61 CO -0.09 -1.74 2.05 -1.54 -0.17 0.00 0.00 175.17 173.68 3mg5 n SER 62 N 10.28 0.45 -3.21 -0.34 3.41 -1.26 -4.07 113.62 118.88 3mg5 n SER 62 Ca 0.21 -1.05 -0.24 0.00 -0.26 0.00 0.00 58.87 57.52 3mg5 n SER 62 Cb 0.48 -0.02 -0.07 0.00 -0.26 0.00 0.00 64.21 64.34 3mg5 n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mg5 n ALA 63 N -0.69 2.55 -1.08 7.33 0.00 -1.26 -5.07 120.51 122.29 3mg5 n ALA 63 Ca 0.21 -3.51 -0.29 0.00 0.00 0.00 0.00 53.44 49.85 3mg5 n ALA 63 Cb 0.20 -0.82 0.16 0.00 0.00 0.00 0.00 19.45 18.99 3mg5 n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3mg5 s PRO 64 N -1.32 0.85 0.74 0.00 0.04 -1.26 -4.99 135.00 129.06 3mg5 s PRO 64 Ca 0.36 0.83 -0.15 0.00 0.04 0.00 0.00 61.00 62.08 3mg5 s PRO 64 Cb 0.17 -1.76 0.05 0.00 0.04 0.00 0.00 34.50 33.00 3mg5 s PRO 64 CO -0.10 -2.53 1.20 0.00 0.04 0.00 0.00 177.00 175.61 3mg5 s ALA 65 N -2.86 2.09 -1.26 8.56 0.00 -1.26 -4.96 121.76 122.07 3mg5 s ALA 65 Ca 0.65 0.83 0.16 0.00 0.00 0.00 0.00 51.96 53.60 3mg5 s ALA 65 Cb -0.19 -3.46 0.50 0.00 0.00 0.00 0.00 23.12 19.97 3mg5 s ALA 65 CO 0.58 -1.92 1.42 0.25 0.00 0.00 0.00 175.76 176.09 3mg5 n THR 66 N -2.83 1.21 0.03 0.00 -2.24 -1.26 -4.59 114.28 104.60 3mg5 n THR 66 Ca 0.13 -1.09 0.06 0.00 -2.27 0.00 0.00 64.05 60.88 3mg5 n THR 66 Cb 0.50 0.39 0.25 0.00 -2.10 0.00 0.00 70.33 69.38 3mg5 n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3mg5 n ASP 67 N 0.92 3.52 0.00 3.42 5.75 -1.26 -4.87 116.55 124.03 3mg5 n ASP 67 Ca 0.19 -2.33 0.00 0.00 -0.01 0.00 0.00 54.79 52.63 3mg5 n ASP 67 Cb 0.59 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 40.19 3mg5 n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3mg5 n GLY 68 N 0.84 0.14 3.78 6.12 0.00 -1.26 -5.06 105.19 109.75 3mg5 n GLY 68 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3mg5 n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3mg5 s SER 69 N -2.22 5.50 1.13 1.61 0.01 -1.26 -5.03 113.70 113.44 3mg5 s SER 69 Ca 0.00 1.96 -0.17 0.00 1.31 0.00 0.00 55.95 59.05 3mg5 s SER 69 Cb 0.00 -2.55 0.26 0.00 0.21 0.00 0.00 66.02 63.94 3mg5 s SER 69 CO 0.00 -1.36 1.12 -0.83 0.41 0.00 0.00 173.24 172.58 3mg5 s GLY 70 N -2.50 1.59 -0.29 3.44 0.00 -1.26 -4.81 107.32 103.50 3mg5 s GLY 70 Ca 0.67 -0.83 -0.08 0.00 0.00 0.00 0.00 44.72 44.48 3mg5 s GLY 70 CO 0.37 -0.02 0.09 -1.59 0.00 0.00 0.00 173.10 171.95 3mg5 s THR 71 N -3.07 4.19 0.37 0.90 2.01 -0.14 -4.73 115.64 115.16 3mg5 s THR 71 Ca 0.70 -0.50 -0.27 0.00 0.31 0.00 0.00 61.69 61.93 3mg5 s THR 71 Cb -0.11 -3.10 -0.09 0.00 0.01 0.00 0.00 72.50 69.20 3mg5 s THR 71 CO 0.56 0.15 1.29 0.00 -0.69 0.00 0.00 174.62 175.92 3mg5 s ALA 72 N 1.55 3.37 0.19 7.40 0.00 -1.26 -0.82 121.76 132.19 3mg5 s ALA 72 Ca 0.04 1.21 -0.20 0.00 0.00 0.00 0.00 51.96 53.01 3mg5 s ALA 72 Cb -0.17 -3.47 0.04 0.00 0.00 0.00 0.00 23.12 19.53 3mg5 s ALA 72 CO 0.03 -0.69 0.58 -0.48 0.00 0.00 0.00 175.76 175.20 3mg5 s LEU 73 N -2.11 -0.20 0.12 0.00 0.05 -0.38 -1.28 118.68 114.87 3mg5 s LEU 73 Ca 0.53 -0.32 -0.22 0.00 0.05 0.00 0.00 54.13 54.16 3mg5 s LEU 73 Cb -0.38 2.40 0.06 0.00 -2.05 0.00 0.00 46.19 46.22 3mg5 s LEU 73 CO 0.50 -1.07 0.56 -0.83 -0.55 0.00 0.00 176.35 174.96 3mg5 s GLY 74 N -2.83 -0.53 0.20 -3.48 0.00 -0.42 -1.10 107.32 99.15 3mg5 s GLY 74 Ca 0.06 0.48 -0.15 0.00 0.00 0.00 0.00 44.72 45.12 3mg5 s GLY 74 CO -0.05 0.17 0.46 0.66 0.00 0.00 0.00 173.10 174.34 3mg5 s TRP 75 N -3.34 0.09 -0.02 1.90 -2.14 -0.51 -1.36 118.94 113.56 3mg5 s TRP 75 Ca -0.01 -0.44 0.03 0.00 2.66 0.00 0.00 56.10 58.34 3mg5 s TRP 75 Cb -0.00 0.26 -0.00 0.00 -3.10 0.00 0.00 33.47 30.62 3mg5 s TRP 75 CO -0.09 -0.90 -0.12 0.99 -2.66 0.00 0.00 176.95 174.18 3mg5 s THR 76 N -3.92 0.98 -0.13 0.66 2.01 -0.33 -1.04 115.64 113.86 3mg5 s THR 76 Ca 0.13 -0.49 0.02 0.00 0.31 0.00 0.00 61.69 61.66 3mg5 s THR 76 Cb -0.00 -0.84 0.01 0.00 0.01 0.00 0.00 72.50 71.67 3mg5 s THR 76 CO 0.00 0.29 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.32 3mg5 s VAL 77 N -0.03 2.19 -0.15 3.82 1.01 -0.18 -2.55 120.40 124.50 3mg5 s VAL 77 Ca 0.00 -0.94 -0.19 0.00 0.00 0.00 0.00 61.98 60.85 3mg5 s VAL 77 Cb -0.08 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 3mg5 s VAL 77 CO 0.00 0.55 0.52 0.00 0.00 0.00 0.00 175.10 176.17 3mg5 s ALA 78 N 0.70 3.49 -0.58 5.51 0.00 -1.26 -0.75 121.76 128.88 3mg5 s ALA 78 Ca -0.09 -0.25 -0.06 0.00 0.00 0.00 0.00 51.96 51.55 3mg5 s ALA 78 Cb -0.16 -2.76 -0.11 0.00 0.00 0.00 0.00 23.12 20.09 3mg5 s ALA 78 CO 0.01 -0.21 3.16 0.91 0.00 0.00 0.00 175.76 179.63 3mg5 n TRP 79 N 4.20 1.14 -4.56 0.00 7.02 -0.17 -4.75 117.44 120.32 3mg5 n TRP 79 Ca -0.05 -2.07 -0.27 0.00 -1.02 0.00 0.00 57.50 54.09 3mg5 n TRP 79 Cb 0.51 -1.76 -0.17 0.00 -2.42 0.00 0.00 31.31 27.48 3mg5 n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 3mg5 s LYS 80 N 0.37 2.03 0.00 -0.99 2.20 -1.26 -1.59 119.74 120.50 3mg5 s LYS 80 Ca 0.64 -0.51 0.00 0.00 -0.36 0.00 0.00 55.97 55.75 3mg5 s LYS 80 Cb 0.29 -1.70 0.00 0.00 -1.51 0.00 0.00 37.83 34.92 3mg5 s LYS 80 CO -0.07 -0.01 0.00 0.27 -0.36 0.00 0.00 175.35 175.17 3mg5 n ASN 81 N 4.01 0.39 0.26 1.43 0.23 -0.47 -4.77 115.26 116.34 3mg5 n ASN 81 Ca -0.20 -0.45 0.17 0.00 -0.53 0.00 0.00 54.58 53.57 3mg5 n ASN 81 Cb 0.52 0.00 0.76 0.00 -2.08 0.00 0.00 39.78 38.97 3mg5 n ASN 81 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 3mg5 h ASN 82 N 0.00 0.00 0.00 0.53 2.35 -1.96 -3.27 115.58 113.23 3mg5 h ASN 82 Ca 0.00 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.50 3mg5 h ASN 82 Cb 0.00 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.32 3mg5 h ASN 82 CO 0.00 0.00 -2.03 -1.22 -1.65 0.00 0.00 177.43 172.53 3mg5 n TYR 83 N -2.87 0.00 -3.62 1.19 4.01 -1.26 -5.06 117.16 109.55 3mg5 n TYR 83 Ca -0.00 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.58 3mg5 n TYR 83 Cb 0.22 -0.72 -0.07 0.00 -0.31 0.00 0.00 39.34 38.46 3mg5 n TYR 83 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 3mg5 s ARG 84 N -2.47 0.86 -0.18 -0.72 3.52 -1.23 -5.09 118.95 113.64 3mg5 s ARG 84 Ca -0.07 0.31 -0.03 0.00 -0.13 0.00 0.00 55.73 55.81 3mg5 s ARG 84 Cb 0.05 0.41 0.06 0.00 -1.56 0.00 0.00 34.95 33.91 3mg5 s ARG 84 CO 0.64 -0.22 0.03 1.21 -0.81 0.00 0.00 175.30 176.15 3mg5 s ASN 85 N -0.79 2.77 0.00 -2.12 3.84 -1.26 -1.36 114.94 116.01 3mg5 s ASN 85 Ca -0.08 -0.74 0.27 0.00 0.21 0.00 0.00 52.86 52.52 3mg5 s ASN 85 Cb -0.02 -0.58 0.91 0.00 -0.55 0.00 0.00 41.25 41.01 3mg5 s ASN 85 CO 0.06 -0.29 1.67 0.00 -2.79 0.00 0.00 177.10 175.75 3mg5 n ALA 86 N 5.06 3.00 -3.56 1.71 0.00 -0.62 -4.96 120.51 121.13 3mg5 n ALA 86 Ca -0.09 -0.29 -0.21 0.00 0.00 0.00 0.00 53.44 52.85 3mg5 n ALA 86 Cb 0.47 -1.25 0.05 0.00 0.00 0.00 0.00 19.45 18.73 3mg5 n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3mg5 n HIS 87 N -1.15 -2.06 -3.69 0.00 -0.00 -1.26 -4.84 115.22 102.22 3mg5 n HIS 87 Ca 0.10 0.81 -0.10 0.00 -0.00 0.00 0.00 57.72 58.53 3mg5 n HIS 87 Cb 0.32 -4.35 -0.04 0.00 -0.00 0.00 0.00 29.99 25.92 3mg5 n HIS 87 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 3mg5 s SER 88 N -4.07 -0.29 -0.09 0.41 1.04 -1.26 -0.78 113.70 108.66 3mg5 s SER 88 Ca 0.15 -0.41 -0.08 0.00 0.48 0.00 0.00 55.95 56.08 3mg5 s SER 88 Cb -0.03 0.58 0.02 0.00 0.10 0.00 0.00 66.02 66.69 3mg5 s SER 88 CO 0.79 -1.04 0.23 0.00 0.98 0.00 0.00 173.24 174.20 3mg5 s ALA 89 N -3.85 -0.56 -0.06 5.32 0.00 0.12 -1.00 121.76 121.72 3mg5 s ALA 89 Ca 0.08 0.64 0.03 0.00 0.00 0.00 0.00 51.96 52.71 3mg5 s ALA 89 Cb -0.01 -0.37 -0.02 0.00 0.00 0.00 0.00 23.12 22.72 3mg5 s ALA 89 CO -0.05 -0.11 -0.14 0.99 0.00 0.00 0.00 175.76 176.46 3mg5 s THR 90 N 0.11 3.07 -0.05 0.00 2.01 0.07 -0.61 115.64 120.23 3mg5 s THR 90 Ca -0.00 -0.71 0.05 0.00 0.31 0.00 0.00 61.69 61.34 3mg5 s THR 90 Cb -0.02 -2.22 -0.02 0.00 0.01 0.00 0.00 72.50 70.26 3mg5 s THR 90 CO 0.00 0.58 -0.21 0.42 -0.69 0.00 0.00 174.62 174.72 3mg5 s THR 91 N -0.58 2.43 -0.15 -0.82 -4.23 -0.41 -1.02 115.64 110.87 3mg5 s THR 91 Ca 0.08 -0.94 -0.01 0.00 -1.18 0.00 0.00 61.69 59.64 3mg5 s THR 91 Cb -0.11 -1.91 -0.02 0.00 1.34 0.00 0.00 72.50 71.80 3mg5 s THR 91 CO 0.01 0.57 -0.10 0.26 -0.54 0.00 0.00 174.62 174.82 3mg5 s TRP 92 N -0.36 2.87 -0.10 3.99 0.51 -0.21 -1.12 118.94 124.52 3mg5 s TRP 92 Ca 0.03 -0.62 0.03 0.00 -2.12 0.00 0.00 56.10 53.41 3mg5 s TRP 92 Cb -0.12 -1.90 0.01 0.00 -0.81 0.00 0.00 33.47 30.64 3mg5 s TRP 92 CO 0.02 -0.22 -0.21 0.45 -0.51 0.00 0.00 176.95 176.48 3mg5 s SER 93 N 0.50 2.81 0.00 2.95 0.15 0.04 -1.42 113.70 118.73 3mg5 s SER 93 Ca -0.07 -0.51 0.00 0.00 0.70 0.00 0.00 55.95 56.07 3mg5 s SER 93 Cb -0.15 -1.29 0.00 0.00 -1.71 0.00 0.00 66.02 62.87 3mg5 s SER 93 CO 0.04 0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.20 3mg5 n GLY 94 N 3.72 1.63 3.07 9.45 0.00 -0.26 -1.14 105.19 121.66 3mg5 n GLY 94 Ca -0.20 -0.51 -0.12 0.00 0.00 0.00 0.00 46.02 45.20 3mg5 n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3mg5 s GLN 95 N 1.44 0.35 -0.10 1.61 -2.07 -0.39 -1.25 119.66 119.24 3mg5 s GLN 95 Ca 0.00 -0.15 -0.22 0.00 -1.82 0.00 0.00 55.36 53.16 3mg5 s GLN 95 Cb 0.00 0.15 -0.03 0.00 -1.09 0.00 0.00 33.01 32.04 3mg5 s GLN 95 CO 0.00 -0.07 0.67 -0.47 -1.32 0.00 0.00 175.29 174.09 3mg5 s TYR 96 N -0.78 3.53 -0.28 9.60 5.04 -0.00 -1.43 117.35 133.02 3mg5 s TYR 96 Ca -0.09 1.15 -0.03 0.00 -2.44 0.00 0.00 57.07 55.67 3mg5 s TYR 96 Cb -0.05 -2.78 0.04 0.00 0.35 0.00 0.00 41.96 39.51 3mg5 s TYR 96 CO 0.01 0.04 -0.00 0.08 -1.34 0.00 0.00 175.55 174.33 3mg5 s VAL 97 N 1.04 3.14 -0.42 3.14 1.01 0.42 -0.97 120.40 127.76 3mg5 s VAL 97 Ca 0.35 -1.15 -0.02 0.00 0.00 0.00 0.00 61.98 61.16 3mg5 s VAL 97 Cb -0.17 -2.70 0.24 0.00 0.00 0.00 0.00 36.38 33.75 3mg5 s VAL 97 CO 0.15 0.02 2.13 0.61 0.00 0.00 0.00 175.10 178.01 3mg5 n GLY 98 N 4.68 4.52 0.00 4.51 0.00 -1.26 -1.78 105.19 115.87 3mg5 n GLY 98 Ca -0.14 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.40 3mg5 n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mg5 n GLY 99 N 0.15 -3.05 0.15 -0.02 0.00 -1.26 -4.84 105.19 96.32 3mg5 n GLY 99 Ca 0.40 -1.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.24 3mg5 n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mg5 h ALA 100 N -2.12 0.23 -2.48 4.61 0.00 -2.05 -3.35 119.26 114.10 3mg5 h ALA 100 Ca 0.00 -0.40 -0.76 0.00 0.00 0.00 0.00 54.91 53.75 3mg5 h ALA 100 Cb 0.00 -0.04 -0.26 0.00 0.00 0.00 0.00 17.79 17.49 3mg5 h ALA 100 CO 0.00 0.24 -0.17 -1.83 0.00 0.00 0.00 179.25 177.49 3mg5 s GLU 101 N -4.03 3.04 0.56 0.00 -1.05 -1.26 -5.08 118.70 110.88 3mg5 s GLU 101 Ca -0.14 -2.00 -0.21 0.00 -0.15 0.00 0.00 54.97 52.48 3mg5 s GLU 101 Cb 0.06 -4.23 -0.04 0.00 -0.44 0.00 0.00 34.13 29.48 3mg5 s GLU 101 CO 0.79 -1.28 1.29 0.00 0.95 0.00 0.00 175.26 177.00 3mg5 s ALA 102 N 1.02 2.70 -0.03 -0.84 0.00 -1.26 -4.94 121.76 118.41 3mg5 s ALA 102 Ca 0.09 1.19 -0.10 0.00 0.00 0.00 0.00 51.96 53.14 3mg5 s ALA 102 Cb -0.23 -3.52 0.02 0.00 0.00 0.00 0.00 23.12 19.39 3mg5 s ALA 102 CO -0.02 -1.27 0.23 0.50 0.00 0.00 0.00 175.76 175.20 3mg5 s ARG 103 N -3.05 0.48 -0.17 0.00 3.52 -0.73 -4.51 118.95 114.48 3mg5 s ARG 103 Ca 0.74 -0.09 -0.01 0.00 -0.13 0.00 0.00 55.73 56.23 3mg5 s ARG 103 Cb -0.36 0.21 -0.01 0.00 -1.56 0.00 0.00 34.95 33.23 3mg5 s ARG 103 CO 0.41 -0.11 -0.11 0.42 -0.81 0.00 0.00 175.30 175.10 3mg5 s ILE 104 N -0.87 3.00 -0.20 4.11 1.01 -0.31 -0.43 121.20 127.51 3mg5 s ILE 104 Ca -0.10 -0.65 -0.04 0.00 0.00 0.00 0.00 60.65 59.87 3mg5 s ILE 104 Cb -0.05 -2.30 -0.01 0.00 0.01 0.00 0.00 42.46 40.10 3mg5 s ILE 104 CO 0.02 0.49 -0.04 0.20 0.00 0.00 0.00 174.94 175.61 3mg5 s ASN 105 N 0.93 4.42 0.17 3.58 0.01 -0.51 -0.49 114.94 123.04 3mg5 s ASN 105 Ca -0.02 -0.32 0.05 0.00 -0.71 0.00 0.00 52.86 51.86 3mg5 s ASN 105 Cb -0.15 -1.75 -0.05 0.00 0.41 0.00 0.00 41.25 39.72 3mg5 s ASN 105 CO -0.01 0.04 -0.11 0.42 -1.51 0.00 0.00 177.10 175.93 3mg5 s THR 106 N 1.15 1.33 0.17 1.60 -4.23 -0.22 -1.26 115.64 114.18 3mg5 s THR 106 Ca 0.02 -2.10 0.11 0.00 -1.18 0.00 0.00 61.69 58.54 3mg5 s THR 106 Cb -0.15 -1.95 -0.04 0.00 1.34 0.00 0.00 72.50 71.71 3mg5 s THR 106 CO -0.00 -0.67 -0.25 -1.10 -0.54 0.00 0.00 174.62 172.06 3mg5 s GLN 107 N -3.73 1.47 0.06 3.99 -0.21 -0.29 -2.32 119.66 118.63 3mg5 s GLN 107 Ca 0.19 -1.47 0.00 0.00 0.02 0.00 0.00 55.36 54.11 3mg5 s GLN 107 Cb 0.02 -1.85 -0.03 0.00 1.00 0.00 0.00 33.01 32.14 3mg5 s GLN 107 CO 0.03 0.41 -0.05 1.67 -2.12 0.00 0.00 175.29 175.24 3mg5 s TRP 108 N -1.48 0.59 -0.12 0.91 1.48 0.01 -0.78 118.94 119.55 3mg5 s TRP 108 Ca 0.18 -0.82 -0.01 0.00 -1.06 0.00 0.00 56.10 54.40 3mg5 s TRP 108 Cb -0.09 -0.38 0.03 0.00 -1.16 0.00 0.00 33.47 31.87 3mg5 s TRP 108 CO 0.09 -0.23 -0.06 -0.51 -4.06 0.00 0.00 176.95 172.18 3mg5 s LEU 109 N -2.42 1.17 -0.38 -4.66 1.43 -0.28 -2.07 118.68 111.48 3mg5 s LEU 109 Ca 0.01 -0.36 -0.05 0.00 -1.03 0.00 0.00 54.13 52.70 3mg5 s LEU 109 Cb 0.00 -0.79 0.08 0.00 0.03 0.00 0.00 46.19 45.52 3mg5 s LEU 109 CO -0.05 -0.15 0.16 -0.22 0.23 0.00 0.00 176.35 176.32 3mg5 s LEU 110 N 1.74 4.78 -0.21 1.79 2.96 0.19 -1.29 118.68 128.65 3mg5 s LEU 110 Ca 0.04 -1.59 -0.09 0.00 -0.22 0.00 0.00 54.13 52.28 3mg5 s LEU 110 Cb -0.13 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.67 3mg5 s LEU 110 CO -0.08 -0.45 0.10 -0.89 -1.32 0.00 0.00 176.35 173.72 3mg5 s THR 111 N 1.28 4.95 0.04 3.68 2.01 0.21 -0.92 115.64 126.89 3mg5 s THR 111 Ca 0.02 0.03 -0.06 0.00 0.31 0.00 0.00 61.69 61.99 3mg5 s THR 111 Cb -0.22 -3.27 -0.05 0.00 0.01 0.00 0.00 72.50 68.98 3mg5 s THR 111 CO -0.01 0.41 0.29 -0.44 -0.69 0.00 0.00 174.62 174.18 3mg5 s SER 112 N 0.73 6.49 0.22 3.53 0.01 0.06 -0.71 113.70 124.04 3mg5 s SER 112 Ca 0.05 0.56 -0.30 0.00 1.31 0.00 0.00 55.95 57.56 3mg5 s SER 112 Cb -0.13 -2.08 -0.09 0.00 0.21 0.00 0.00 66.02 63.92 3mg5 s SER 112 CO 0.02 0.21 1.38 -0.83 0.41 0.00 0.00 173.24 174.43 3mg5 s GLY 113 N -1.87 2.34 0.17 3.44 0.00 0.04 -4.79 107.32 106.64 3mg5 s GLY 113 Ca 0.30 1.22 -0.01 0.00 0.00 0.00 0.00 44.72 46.24 3mg5 s GLY 113 CO 0.18 2.20 0.08 -0.51 0.00 0.00 0.00 173.10 175.05 3mg5 s THR 114 N 0.13 0.16 0.87 0.90 -4.23 -1.26 -5.00 115.64 107.22 3mg5 s THR 114 Ca 0.59 -1.96 -0.11 0.00 -1.18 0.00 0.00 61.69 59.03 3mg5 s THR 114 Cb -0.39 -2.26 0.12 0.00 1.34 0.00 0.00 72.50 71.30 3mg5 s THR 114 CO 0.40 -0.27 1.09 0.42 -0.54 0.00 0.00 174.62 175.73 3mg5 s THR 115 N -4.03 2.76 0.20 3.99 -4.23 -1.26 -4.89 115.64 108.19 3mg5 s THR 115 Ca 0.30 0.25 -0.11 0.00 -1.18 0.00 0.00 61.69 60.96 3mg5 s THR 115 Cb 0.07 -2.77 0.13 0.00 1.34 0.00 0.00 72.50 71.28 3mg5 s THR 115 CO 0.07 -0.32 1.83 -0.33 -0.54 0.00 0.00 174.62 175.32 3mg5 h GLU 116 N -1.45 0.98 0.00 3.99 5.08 -2.01 -1.75 114.58 119.42 3mg5 h GLU 116 Ca -0.49 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 57.74 3mg5 h GLU 116 Cb 1.28 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 3mg5 h GLU 116 CO 0.55 0.71 -0.18 0.00 -1.00 0.00 0.00 179.01 179.09 3mg5 h ALA 117 N 1.21 1.68 -0.42 3.43 0.00 -2.07 -2.71 119.26 120.39 3mg5 h ALA 117 Ca 0.25 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3mg5 h ALA 117 Cb -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3mg5 h ALA 117 CO -0.04 0.23 0.00 0.09 0.00 0.00 0.00 179.25 179.52 3mg5 n ASN 118 N -4.29 3.38 0.27 0.00 3.02 -0.89 -4.55 115.26 112.20 3mg5 n ASN 118 Ca -0.02 -1.98 0.11 0.00 -0.03 0.00 0.00 54.58 52.65 3mg5 n ASN 118 Cb 0.25 -0.27 0.73 0.00 -0.61 0.00 0.00 39.78 39.88 3mg5 n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3mg5 h ALA 119 N 4.46 1.74 -0.06 5.41 0.00 -0.99 -1.49 119.26 128.33 3mg5 h ALA 119 Ca 0.00 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.90 3mg5 h ALA 119 Cb 0.95 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 3mg5 h ALA 119 CO 0.00 0.04 0.07 0.11 0.00 0.00 0.00 179.25 179.46 3mg5 h TRP 120 N 0.00 0.00 -0.41 0.00 5.08 -1.81 -1.76 115.95 117.04 3mg5 h TRP 120 Ca -0.00 0.00 -0.17 0.00 1.08 0.00 0.00 58.89 59.80 3mg5 h TRP 120 Cb 0.06 0.00 -0.10 0.00 -3.00 0.00 0.00 29.16 26.12 3mg5 h TRP 120 CO 0.00 0.00 0.03 0.36 -1.28 0.00 0.00 178.44 177.55 3mg5 n LYS 121 N -3.88 2.22 0.18 0.12 2.85 -0.56 -4.69 118.16 114.40 3mg5 n LYS 121 Ca -0.01 -3.08 0.06 0.00 -1.05 0.00 0.00 58.31 54.22 3mg5 n LYS 121 Cb 0.16 -1.88 0.24 0.00 -0.65 0.00 0.00 35.03 32.90 3mg5 n LYS 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3mg5 h SER 122 N 1.26 0.00 -3.18 -5.58 4.64 -1.35 -3.46 113.55 105.88 3mg5 h SER 122 Ca 0.21 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.96 3mg5 h SER 122 Cb 1.77 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 63.49 3mg5 h SER 122 CO 0.44 0.38 -0.82 -0.89 -0.87 0.00 0.00 176.83 175.07 3mg5 s THR 123 N -3.34 1.39 0.19 2.95 2.01 -1.26 -0.76 115.64 116.83 3mg5 s THR 123 Ca 0.02 -0.58 -0.10 0.00 0.31 0.00 0.00 61.69 61.34 3mg5 s THR 123 Cb 0.09 -1.37 -0.07 0.00 0.01 0.00 0.00 72.50 71.17 3mg5 s THR 123 CO 0.70 0.38 0.51 -0.76 -0.69 0.00 0.00 174.62 174.76 3mg5 s LEU 124 N 1.55 4.22 0.03 4.42 1.43 -0.10 -4.92 118.68 125.32 3mg5 s LEU 124 Ca 0.04 0.89 0.06 0.00 -1.03 0.00 0.00 54.13 54.09 3mg5 s LEU 124 Cb -0.13 -3.52 -0.02 0.00 0.03 0.00 0.00 46.19 42.55 3mg5 s LEU 124 CO -0.10 -0.01 -0.18 0.54 0.23 0.00 0.00 176.35 176.83 3mg5 s VAL 125 N -1.71 1.48 0.00 -1.59 0.11 -1.26 -0.63 120.40 116.79 3mg5 s VAL 125 Ca 0.44 -1.06 0.00 0.00 -2.93 0.00 0.00 61.98 58.43 3mg5 s VAL 125 Cb -0.12 -1.28 0.00 0.00 -1.53 0.00 0.00 36.38 33.45 3mg5 s VAL 125 CO 0.21 0.19 0.00 0.61 -3.33 0.00 0.00 175.10 172.78 3mg5 n GLY 126 N 2.01 1.88 3.01 6.54 0.00 -0.88 -4.99 105.19 112.77 3mg5 n GLY 126 Ca -0.17 -0.90 -0.13 0.00 0.00 0.00 0.00 46.02 44.82 3mg5 n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3mg5 s HIS 127 N -6.26 -0.26 -0.04 1.61 -3.43 -1.26 -0.81 115.29 104.84 3mg5 s HIS 127 Ca 0.00 0.66 0.06 0.00 -0.80 0.00 0.00 55.06 54.99 3mg5 s HIS 127 Cb 0.00 0.01 -0.01 0.00 -1.43 0.00 0.00 32.58 31.14 3mg5 s HIS 127 CO 0.00 -0.20 -0.23 -0.51 -2.00 0.00 0.00 174.74 171.80 3mg5 s ASP 128 N 1.12 2.77 -0.03 7.38 1.01 -0.98 -4.99 116.67 122.95 3mg5 s ASP 128 Ca -0.08 -0.44 0.07 0.00 0.71 0.00 0.00 52.55 52.80 3mg5 s ASP 128 Cb -0.10 -0.53 -0.02 0.00 1.01 0.00 0.00 42.92 43.28 3mg5 s ASP 128 CO -0.07 0.25 -0.25 0.28 0.21 0.00 0.00 175.17 175.59 3mg5 s THR 129 N -0.33 2.07 0.04 -1.27 -1.32 -1.26 -1.06 115.64 112.51 3mg5 s THR 129 Ca 0.03 -1.09 0.06 0.00 -1.21 0.00 0.00 61.69 59.48 3mg5 s THR 129 Cb -0.11 -1.72 -0.02 0.00 -1.51 0.00 0.00 72.50 69.13 3mg5 s THR 129 CO 0.01 0.58 -0.18 -0.76 -2.21 0.00 0.00 174.62 172.06 3mg5 s LEU 130 N -0.44 2.17 0.23 9.08 1.02 0.36 -2.75 118.68 128.34 3mg5 s LEU 130 Ca 0.05 -0.50 0.00 0.00 0.02 0.00 0.00 54.13 53.70 3mg5 s LEU 130 Cb -0.11 -0.80 -0.04 0.00 0.02 0.00 0.00 46.19 45.25 3mg5 s LEU 130 CO 0.01 0.10 0.12 0.42 0.02 0.00 0.00 176.35 177.02 3mg5 s THR 131 N -0.83 0.19 -2.06 5.49 -4.23 -0.79 -1.16 115.64 112.24 3mg5 s THR 131 Ca 0.05 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 58.68 3mg5 s THR 131 Cb -0.08 -2.54 0.31 0.00 1.34 0.00 0.00 72.50 71.52 3mg5 s THR 131 CO 0.02 0.00 1.35 0.29 -0.54 0.00 0.00 174.62 175.74 3mg5 n LYS 132 N -0.35 1.42 -2.61 3.99 5.02 -1.26 -0.76 118.16 123.60 3mg5 n LYS 132 Ca 0.01 -0.64 -0.43 0.00 -2.02 0.00 0.00 58.31 55.24 3mg5 n LYS 132 Cb 0.66 -1.23 -0.02 0.00 -0.02 0.00 0.00 35.03 34.41 3mg5 n LYS 132 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3mg5 s VAL 133 N -1.81 4.60 -0.10 -0.18 1.01 -1.26 -4.87 120.40 117.79 3mg5 s VAL 133 Ca 0.20 1.93 -0.30 0.00 0.00 0.00 0.00 61.98 63.82 3mg5 s VAL 133 Cb 0.10 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.22 3mg5 s VAL 133 CO 0.15 -0.16 1.19 -0.75 0.00 0.00 0.00 175.10 175.54 3mg5 s LYS 134 N 3.18 4.32 0.00 2.72 2.20 -1.26 -4.66 119.74 126.24 3mg5 s LYS 134 Ca 0.47 1.63 0.03 0.00 -0.36 0.00 0.00 55.97 57.74 3mg5 s LYS 134 Cb -0.17 -3.62 0.19 0.00 -1.51 0.00 0.00 37.83 32.72 3mg5 s LYS 134 CO 0.09 -0.52 0.67 -0.35 -0.36 0.00 0.00 175.35 174.88