#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 0.94 -2.70 -0.61 2.04 -1.97 -3.47 117.51 111.75 3mg5 h ILE 17 Ca 0.00 -2.55 -0.53 0.00 1.00 0.00 0.00 64.86 62.79 3mg5 h ILE 17 Cb 0.00 2.73 0.06 0.00 -0.74 0.00 0.00 36.82 38.87 3mg5 h ILE 17 CO 0.00 0.85 0.99 0.41 0.00 0.00 0.00 178.15 180.40 3mg5 n THR 18 N -3.54 0.10 0.00 -0.27 -1.04 -1.26 -4.78 114.28 103.49 3mg5 n THR 18 Ca -0.24 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.75 3mg5 n THR 18 Cb 1.07 -1.97 0.00 0.00 -1.82 0.00 0.00 70.33 67.61 3mg5 n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3mg5 n GLY 19 N 3.77 0.89 3.79 3.41 0.00 0.19 -5.00 105.19 112.24 3mg5 n GLY 19 Ca 0.15 -1.96 -0.36 0.00 0.00 0.00 0.00 46.02 43.85 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 -2.25 5.44 0.12 2.61 2.01 -1.26 -1.64 115.64 120.67 3mg5 s THR 20 Ca 0.00 0.21 0.05 0.00 0.31 0.00 0.00 61.69 62.27 3mg5 s THR 20 Cb 0.00 -3.45 -0.04 0.00 0.01 0.00 0.00 72.50 69.02 3mg5 s THR 20 CO 0.00 0.51 -0.13 0.26 -0.69 0.00 0.00 174.62 174.57 3mg5 s TRP 21 N -0.16 1.31 -0.03 4.92 0.52 0.83 -4.72 118.94 121.61 3mg5 s TRP 21 Ca 0.11 -0.61 0.04 0.00 0.02 0.00 0.00 56.10 55.66 3mg5 s TRP 21 Cb -0.11 -0.68 -0.00 0.00 -1.15 0.00 0.00 33.47 31.52 3mg5 s TRP 21 CO 0.00 0.11 -0.14 0.71 0.02 0.00 0.00 176.95 177.65 3mg5 s TYR 22 N -2.39 1.39 0.57 -1.98 2.02 -0.11 -0.82 117.35 116.04 3mg5 s TYR 22 Ca 0.09 -0.37 0.10 0.00 -0.37 0.00 0.00 57.07 56.52 3mg5 s TYR 22 Cb -0.03 -0.95 0.10 0.00 -0.40 0.00 0.00 41.96 40.68 3mg5 s TYR 22 CO 0.02 -0.12 0.79 0.27 -1.57 0.00 0.00 175.55 174.94 3mg5 n ASN 23 N 3.14 2.09 0.20 2.29 0.23 -0.78 -1.17 115.26 121.25 3mg5 n ASN 23 Ca -0.18 -2.52 0.14 0.00 -0.53 0.00 0.00 54.58 51.50 3mg5 n ASN 23 Cb 0.54 -0.42 0.62 0.00 -2.08 0.00 0.00 39.78 38.44 3mg5 n ASN 23 CO 0.00 0.00 0.00 0.06 -0.93 0.00 0.00 177.26 176.39 3mg5 h GLN 24 N 0.00 0.00 -0.00 -3.83 -0.00 -1.89 -2.01 115.11 107.38 3mg5 h GLN 24 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.38 3mg5 h GLN 24 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.71 3mg5 h GLN 24 CO 0.38 0.00 -0.42 1.28 -0.00 0.00 0.00 178.83 180.07 3mg5 n LEU 25 N -2.58 0.65 0.00 0.06 4.77 -1.26 -4.95 117.00 113.70 3mg5 n LEU 25 Ca 0.01 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 3mg5 n LEU 25 Cb 0.22 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3mg5 n LEU 25 CO 0.21 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 3mg5 n GLY 26 N 1.45 0.81 3.81 -0.72 0.00 -0.76 -4.70 105.19 105.09 3mg5 n GLY 26 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.03 5.62 -0.15 1.61 0.01 -1.26 -4.58 113.70 112.92 3mg5 s SER 27 Ca 0.00 1.74 0.02 0.00 1.31 0.00 0.00 55.95 59.02 3mg5 s SER 27 Cb 0.00 -2.52 0.01 0.00 0.21 0.00 0.00 66.02 63.73 3mg5 s SER 27 CO 0.00 -1.28 -0.20 -0.89 0.41 0.00 0.00 173.24 171.28 3mg5 s THR 28 N -2.68 1.98 -0.26 1.44 2.01 -0.06 -1.87 115.64 116.21 3mg5 s THR 28 Ca 0.61 -0.92 -0.03 0.00 0.31 0.00 0.00 61.69 61.66 3mg5 s THR 28 Cb -0.15 -1.77 0.02 0.00 0.01 0.00 0.00 72.50 70.61 3mg5 s THR 28 CO 0.44 0.53 -0.03 0.12 -0.69 0.00 0.00 174.62 174.99 3mg5 s PHE 29 N 0.99 3.07 -0.23 4.92 5.36 -0.00 -0.81 117.98 131.28 3mg5 s PHE 29 Ca -0.03 -1.35 -0.01 0.00 -0.96 0.00 0.00 56.93 54.58 3mg5 s PHE 29 Cb -0.15 -2.11 0.02 0.00 -0.34 0.00 0.00 43.02 40.44 3mg5 s PHE 29 CO -0.05 -0.67 -0.09 0.42 -1.46 0.00 0.00 175.22 173.37 3mg5 s ILE 30 N 1.38 2.77 0.01 3.12 1.01 0.06 -0.12 121.20 129.44 3mg5 s ILE 30 Ca 0.01 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.74 3mg5 s ILE 30 Cb -0.16 -2.34 -0.01 0.00 0.01 0.00 0.00 42.46 39.96 3mg5 s ILE 30 CO -0.03 0.31 -0.02 0.68 0.00 0.00 0.00 174.94 175.88 3mg5 s VAL 31 N 1.34 0.08 -0.14 2.92 -7.23 -0.65 -0.74 120.40 115.99 3mg5 s VAL 31 Ca 0.02 -0.49 0.01 0.00 -1.81 0.00 0.00 61.98 59.71 3mg5 s VAL 31 Cb -0.15 -0.16 -0.01 0.00 0.56 0.00 0.00 36.38 36.62 3mg5 s VAL 31 CO -0.06 -0.25 -0.15 0.28 -0.31 0.00 0.00 175.10 174.60 3mg5 s THR 32 N -0.76 2.78 -0.41 5.32 -1.32 0.62 -0.63 115.64 121.23 3mg5 s THR 32 Ca -0.08 -0.75 -0.16 0.00 -1.21 0.00 0.00 61.69 59.49 3mg5 s THR 32 Cb -0.05 -2.16 0.02 0.00 -1.51 0.00 0.00 72.50 68.80 3mg5 s THR 32 CO -0.00 0.52 0.37 0.00 -2.21 0.00 0.00 174.62 173.30 3mg5 s ALA 33 N 0.53 3.45 0.54 11.08 0.00 -1.26 -1.78 121.76 134.32 3mg5 s ALA 33 Ca -0.10 -1.60 -0.06 0.00 0.00 0.00 0.00 51.96 50.20 3mg5 s ALA 33 Cb -0.16 -2.96 -0.02 0.00 0.00 0.00 0.00 23.12 19.97 3mg5 s ALA 33 CO 0.04 -1.50 0.86 0.20 0.00 0.00 0.00 175.76 175.36 3mg5 s GLY 34 N 1.74 1.55 0.53 0.00 0.00 0.26 -4.88 107.32 106.53 3mg5 s GLY 34 Ca 0.09 -0.49 0.27 0.00 0.00 0.00 0.00 44.72 44.58 3mg5 s GLY 34 CO 0.12 -0.27 2.09 0.00 0.00 0.00 0.00 173.10 175.03 3mg5 h ALA 35 N 0.01 1.33 0.00 3.20 0.00 -1.98 -2.46 119.26 119.36 3mg5 h ALA 35 Ca -0.46 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3mg5 h ALA 35 Cb 1.22 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.99 3mg5 h ALA 35 CO 0.61 0.14 0.00 -0.40 0.00 0.00 0.00 179.25 179.60 3mg5 n ASP 36 N -3.69 0.00 0.00 0.00 5.75 -1.26 -4.86 116.55 112.49 3mg5 n ASP 36 Ca -0.02 -1.67 0.00 0.00 -0.01 0.00 0.00 54.79 53.09 3mg5 n ASP 36 Cb 0.22 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.31 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 0.46 0.82 3.84 6.12 0.00 -0.92 -5.04 105.19 110.47 3mg5 n GLY 37 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.19 3.38 -0.10 4.61 0.00 -1.25 -1.05 121.76 124.16 3mg5 s ALA 38 Ca 0.00 0.07 0.02 0.00 0.00 0.00 0.00 51.96 52.05 3mg5 s ALA 38 Cb 0.00 -2.76 -0.01 0.00 0.00 0.00 0.00 23.12 20.35 3mg5 s ALA 38 CO 0.00 0.35 -0.18 -0.51 0.00 0.00 0.00 175.76 175.41 3mg5 s LEU 39 N -2.50 2.42 -0.00 0.00 1.43 0.03 -0.57 118.68 119.48 3mg5 s LEU 39 Ca 0.48 -0.42 -0.01 0.00 -1.03 0.00 0.00 54.13 53.15 3mg5 s LEU 39 Cb -0.13 -1.51 -0.00 0.00 0.03 0.00 0.00 46.19 44.58 3mg5 s LEU 39 CO 0.19 0.19 0.01 -0.89 0.23 0.00 0.00 176.35 176.08 3mg5 s THR 40 N 0.19 0.03 -1.98 5.49 2.01 -0.73 -0.95 115.64 119.70 3mg5 s THR 40 Ca -0.11 -0.28 0.00 0.00 0.31 0.00 0.00 61.69 61.61 3mg5 s THR 40 Cb -0.16 -0.12 0.00 0.00 0.01 0.00 0.00 72.50 72.23 3mg5 s THR 40 CO 0.06 -0.15 0.00 0.61 -0.69 0.00 0.00 174.62 174.45 3mg5 n GLY 41 N 2.60 -0.60 3.06 4.40 0.00 -1.04 -0.28 105.19 113.34 3mg5 n GLY 41 Ca -0.16 -0.48 -0.11 0.00 0.00 0.00 0.00 46.02 45.27 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 -4.00 0.42 -0.03 2.61 -4.23 0.08 -1.41 115.64 109.09 3mg5 s THR 42 Ca 0.00 -1.23 0.04 0.00 -1.18 0.00 0.00 61.69 59.32 3mg5 s THR 42 Cb 0.00 -0.76 -0.00 0.00 1.34 0.00 0.00 72.50 73.07 3mg5 s THR 42 CO 0.00 -0.54 -0.14 -0.47 -0.54 0.00 0.00 174.62 172.93 3mg5 s TYR 43 N -1.96 1.34 -0.16 3.99 5.04 -0.02 -0.76 117.35 124.81 3mg5 s TYR 43 Ca -0.07 -0.33 -0.00 0.00 -2.44 0.00 0.00 57.07 54.23 3mg5 s TYR 43 Cb -0.06 -0.90 0.04 0.00 0.35 0.00 0.00 41.96 41.38 3mg5 s TYR 43 CO -0.02 -0.10 -0.08 -2.00 -1.34 0.00 0.00 175.55 172.02 3mg5 s GLU 44 N -0.05 1.67 -0.01 4.97 2.12 0.01 -0.84 118.70 126.57 3mg5 s GLU 44 Ca -0.00 -0.54 -0.18 0.00 0.36 0.00 0.00 54.97 54.61 3mg5 s GLU 44 Cb -0.09 -2.02 -0.06 0.00 0.26 0.00 0.00 34.13 32.23 3mg5 s GLU 44 CO 0.01 -0.38 0.49 0.45 -0.54 0.00 0.00 175.26 175.29 3mg5 s SER 45 N 1.58 6.88 0.10 -1.70 0.15 -1.26 -0.88 113.70 118.57 3mg5 s SER 45 Ca 0.02 1.04 0.26 0.00 0.70 0.00 0.00 55.95 57.97 3mg5 s SER 45 Cb -0.15 -2.30 1.00 0.00 -1.71 0.00 0.00 66.02 62.86 3mg5 s SER 45 CO -0.08 0.21 1.82 0.00 1.20 0.00 0.00 173.24 176.38 3mg5 n ALA 46 N 2.33 2.21 -2.25 5.45 0.00 -1.26 -4.81 120.51 122.16 3mg5 n ALA 46 Ca -0.10 -0.05 -0.14 0.00 0.00 0.00 0.00 53.44 53.14 3mg5 n ALA 46 Cb 0.52 -1.44 -0.10 0.00 0.00 0.00 0.00 19.45 18.42 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 -3.06 0.68 0.00 0.00 -7.23 -1.26 -5.02 120.40 104.50 3mg5 s VAL 47 Ca 0.11 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.30 3mg5 s VAL 47 Cb 0.15 -2.20 0.00 0.00 0.56 0.00 0.00 36.38 34.89 3mg5 s VAL 47 CO 0.52 -0.41 0.00 0.61 -0.31 0.00 0.00 175.10 175.52 3mg5 n GLY 48 N -0.28 -2.00 3.37 2.32 0.00 -1.26 -4.51 105.19 102.83 3mg5 n GLY 48 Ca -0.06 -1.48 -0.43 0.00 0.00 0.00 0.00 46.02 44.05 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 0.78 5.05 -3.63 1.61 2.85 -1.26 -4.86 115.26 115.80 3mg5 n ASN 49 Ca 0.00 -2.97 -0.15 0.00 -0.11 0.00 0.00 54.58 51.35 3mg5 n ASN 49 Cb 0.00 -1.61 -0.07 0.00 1.24 0.00 0.00 39.78 39.33 3mg5 n ASN 49 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3mg5 s ALA 50 N 2.21 -1.60 -0.09 5.20 0.00 -1.26 -4.56 121.76 121.66 3mg5 s ALA 50 Ca 0.46 1.66 -0.15 0.00 0.00 0.00 0.00 51.96 53.93 3mg5 s ALA 50 Cb 0.02 -0.80 0.03 0.00 0.00 0.00 0.00 23.12 22.37 3mg5 s ALA 50 CO 0.02 -0.32 0.36 -1.83 0.00 0.00 0.00 175.76 173.99 3mg5 s GLU 51 N -0.04 0.56 2.86 0.00 -1.05 -1.26 -4.93 118.70 114.84 3mg5 s GLU 51 Ca -0.03 0.22 0.00 0.00 -0.15 0.00 0.00 54.97 55.01 3mg5 s GLU 51 Cb -0.04 0.26 0.00 0.00 -0.44 0.00 0.00 34.13 33.91 3mg5 s GLU 51 CO 0.03 -0.12 0.00 0.45 0.95 0.00 0.00 175.26 176.57 3mg5 n SER 52 N 2.13 -2.64 -4.87 0.83 2.88 -1.26 -4.85 113.62 105.83 3mg5 n SER 52 Ca -0.17 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.04 3mg5 n SER 52 Cb 0.57 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.97 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 3.78 0.07 -1.46 0.52 -1.26 -4.42 118.95 116.17 3mg5 s ARG 53 Ca 0.00 0.20 0.08 0.00 -0.52 0.00 0.00 55.73 55.49 3mg5 s ARG 53 Cb 0.00 -2.83 -0.03 0.00 0.52 0.00 0.00 34.95 32.61 3mg5 s ARG 53 CO 0.00 0.44 -0.21 0.71 0.02 0.00 0.00 175.30 176.26 3mg5 s TYR 54 N -1.62 1.79 0.27 -0.53 2.02 -0.02 -4.85 117.35 114.41 3mg5 s TYR 54 Ca 0.41 -0.39 -0.30 0.00 -0.37 0.00 0.00 57.07 56.42 3mg5 s TYR 54 Cb -0.13 -1.03 -0.10 0.00 -0.40 0.00 0.00 41.96 40.30 3mg5 s TYR 54 CO 0.21 0.14 1.39 0.08 -1.57 0.00 0.00 175.55 175.80 3mg5 s VAL 55 N -0.96 2.69 0.15 0.71 1.01 -1.26 -0.84 120.40 121.90 3mg5 s VAL 55 Ca 0.07 0.62 0.09 0.00 0.00 0.00 0.00 61.98 62.76 3mg5 s VAL 55 Cb -0.09 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 3mg5 s VAL 55 CO 0.03 0.11 -0.21 -1.48 0.00 0.00 0.00 175.10 173.56 3mg5 s LEU 56 N -0.84 2.38 0.01 3.92 0.05 -0.50 -4.41 118.68 119.29 3mg5 s LEU 56 Ca 0.56 -0.80 -0.04 0.00 0.05 0.00 0.00 54.13 53.90 3mg5 s LEU 56 Cb -0.41 -0.93 -0.01 0.00 -2.05 0.00 0.00 46.19 42.79 3mg5 s LEU 56 CO 0.47 0.04 0.06 0.28 -0.55 0.00 0.00 176.35 176.64 3mg5 s THR 57 N -1.61 0.10 0.00 5.48 -1.32 -1.03 -2.48 115.64 114.77 3mg5 s THR 57 Ca 0.13 -0.79 0.00 0.00 -1.21 0.00 0.00 61.69 59.82 3mg5 s THR 57 Cb -0.08 -0.35 0.00 0.00 -1.51 0.00 0.00 72.50 70.56 3mg5 s THR 57 CO 0.06 -0.43 0.00 0.61 -2.21 0.00 0.00 174.62 172.65 3mg5 n GLY 58 N 1.52 1.92 3.07 6.08 0.00 -0.13 -0.99 105.19 116.67 3mg5 n GLY 58 Ca -0.23 -0.77 -0.09 0.00 0.00 0.00 0.00 46.02 44.93 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 0.02 0.52 0.05 1.61 1.81 -0.39 -0.79 118.95 121.77 3mg5 s ARG 59 Ca 0.00 -0.85 -0.07 0.00 -1.72 0.00 0.00 55.73 53.10 3mg5 s ARG 59 Cb 0.00 0.19 -0.01 0.00 -0.45 0.00 0.00 34.95 34.68 3mg5 s ARG 59 CO 0.00 -0.11 0.13 1.52 -0.68 0.00 0.00 175.30 176.16 3mg5 s TYR 60 N -2.67 0.18 -0.37 -0.53 -0.85 -0.21 -1.32 117.35 111.58 3mg5 s TYR 60 Ca -0.05 -0.49 -0.28 0.00 -0.52 0.00 0.00 57.07 55.73 3mg5 s TYR 60 Cb -0.01 -0.12 -0.01 0.00 0.38 0.00 0.00 41.96 42.20 3mg5 s TYR 60 CO -0.05 -0.40 1.66 0.34 -1.52 0.00 0.00 175.55 175.57 3mg5 s ASP 61 N -2.25 6.03 0.00 -0.18 2.15 -0.42 -4.67 116.67 117.33 3mg5 s ASP 61 Ca -0.03 1.09 0.30 0.00 0.43 0.00 0.00 52.55 54.35 3mg5 s ASP 61 Cb 0.00 -2.53 1.61 0.00 -0.30 0.00 0.00 42.92 41.70 3mg5 s ASP 61 CO -0.05 -1.63 2.06 -1.54 -0.17 0.00 0.00 175.17 173.83 3mg5 n SER 62 N 9.83 0.48 -3.16 -0.34 3.41 -1.26 -4.10 113.62 118.48 3mg5 n SER 62 Ca 0.20 -1.17 -0.22 0.00 -0.26 0.00 0.00 58.87 57.42 3mg5 n SER 62 Cb 0.47 -0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.36 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 -0.62 1.83 -1.10 7.33 0.00 -1.26 -5.09 120.51 121.61 3mg5 n ALA 63 Ca 0.22 -2.97 -0.29 0.00 0.00 0.00 0.00 53.44 50.40 3mg5 n ALA 63 Cb 0.19 -0.90 0.18 0.00 0.00 0.00 0.00 19.45 18.92 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 -0.58 0.34 0.42 0.00 0.04 -1.26 -4.88 135.00 129.08 3mg5 s PRO 64 Ca 0.34 0.59 -0.26 0.00 0.04 0.00 0.00 61.00 61.71 3mg5 s PRO 64 Cb 0.14 -1.72 -0.10 0.00 0.04 0.00 0.00 34.50 32.86 3mg5 s PRO 64 CO -0.14 -2.81 1.34 0.00 0.04 0.00 0.00 177.00 175.43 3mg5 n ALA 65 N -4.24 1.61 0.33 8.56 0.00 -1.26 -4.84 120.51 120.67 3mg5 n ALA 65 Ca 0.05 0.27 0.20 0.00 0.00 0.00 0.00 53.44 53.97 3mg5 n ALA 65 Cb 0.57 -2.32 1.07 0.00 0.00 0.00 0.00 19.45 18.77 3mg5 n ALA 65 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 3mg5 h THR 66 N 2.26 0.05 -3.52 0.00 1.35 -1.96 -3.42 112.91 107.68 3mg5 h THR 66 Ca -0.49 0.00 -0.12 0.00 -0.55 0.00 0.00 66.41 65.25 3mg5 h THR 66 Cb 1.28 0.89 0.03 0.00 -1.73 0.00 0.00 68.15 68.62 3mg5 h THR 66 CO 0.61 0.00 0.05 -0.90 -0.25 0.00 0.00 175.52 175.03 3mg5 n ASP 67 N -3.11 0.28 -2.06 5.36 5.68 -1.26 -4.96 116.55 116.48 3mg5 n ASP 67 Ca -0.02 -1.27 -0.05 0.00 -0.50 0.00 0.00 54.79 52.95 3mg5 n ASP 67 Cb 0.18 -0.20 -0.07 0.00 -1.14 0.00 0.00 41.12 39.89 3mg5 n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3mg5 n GLY 68 N 2.83 1.98 3.87 6.12 0.00 -1.26 -4.92 105.19 113.80 3mg5 n GLY 68 Ca 0.05 -0.47 -0.28 0.00 0.00 0.00 0.00 46.02 45.32 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 2.29 5.98 1.02 1.61 0.01 -1.26 -5.10 113.70 118.25 3mg5 s SER 69 Ca 0.26 0.08 -0.12 0.00 1.31 0.00 0.00 55.95 57.48 3mg5 s SER 69 Cb 0.12 -1.72 0.20 0.00 0.21 0.00 0.00 66.02 64.83 3mg5 s SER 69 CO 0.00 0.10 1.08 -0.83 0.41 0.00 0.00 173.24 174.00 3mg5 s GLY 70 N -2.88 1.58 -0.38 3.44 0.00 -1.26 -4.70 107.32 103.11 3mg5 s GLY 70 Ca 0.33 -0.17 -0.16 0.00 0.00 0.00 0.00 44.72 44.72 3mg5 s GLY 70 CO 0.26 0.43 0.36 -1.59 0.00 0.00 0.00 173.10 172.56 3mg5 s THR 71 N -2.80 5.17 0.40 0.90 2.01 0.01 -4.72 115.64 116.61 3mg5 s THR 71 Ca 0.66 -0.25 -0.25 0.00 0.31 0.00 0.00 61.69 62.16 3mg5 s THR 71 Cb -0.20 -3.90 -0.08 0.00 0.01 0.00 0.00 72.50 68.32 3mg5 s THR 71 CO 0.59 -0.23 1.19 0.00 -0.69 0.00 0.00 174.62 175.48 3mg5 s ALA 72 N 1.95 3.18 0.22 7.40 0.00 -1.26 -0.82 121.76 132.43 3mg5 s ALA 72 Ca 0.10 1.00 -0.22 0.00 0.00 0.00 0.00 51.96 52.84 3mg5 s ALA 72 Cb -0.17 -3.39 0.05 0.00 0.00 0.00 0.00 23.12 19.60 3mg5 s ALA 72 CO 0.12 -0.56 0.65 -0.48 0.00 0.00 0.00 175.76 175.49 3mg5 s LEU 73 N -2.46 -0.40 0.10 0.00 2.34 -0.46 -1.30 118.68 116.50 3mg5 s LEU 73 Ca 0.57 -0.30 -0.24 0.00 0.06 0.00 0.00 54.13 54.21 3mg5 s LEU 73 Cb -0.32 2.65 0.07 0.00 -0.56 0.00 0.00 46.19 48.03 3mg5 s LEU 73 CO 0.40 -1.15 0.59 -0.83 -1.06 0.00 0.00 176.35 174.30 3mg5 s GLY 74 N -2.83 -0.57 0.16 -3.48 0.00 -0.43 -1.03 107.32 99.14 3mg5 s GLY 74 Ca 0.06 0.64 -0.14 0.00 0.00 0.00 0.00 44.72 45.29 3mg5 s GLY 74 CO -0.03 0.32 0.40 0.66 0.00 0.00 0.00 173.10 174.44 3mg5 s TRP 75 N -3.06 0.04 -0.02 1.90 -2.14 -0.53 -1.26 118.94 113.88 3mg5 s TRP 75 Ca -0.02 -0.39 0.05 0.00 2.66 0.00 0.00 56.10 58.40 3mg5 s TRP 75 Cb -0.01 0.19 -0.01 0.00 -3.10 0.00 0.00 33.47 30.54 3mg5 s TRP 75 CO -0.07 -0.78 -0.18 0.99 -2.66 0.00 0.00 176.95 174.25 3mg5 s THR 76 N -3.89 1.41 -0.13 0.66 2.01 -0.16 -0.89 115.64 114.66 3mg5 s THR 76 Ca 0.10 -0.76 0.02 0.00 0.31 0.00 0.00 61.69 61.37 3mg5 s THR 76 Cb 0.01 -1.18 0.01 0.00 0.01 0.00 0.00 72.50 71.36 3mg5 s THR 76 CO -0.05 0.40 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.40 3mg5 s VAL 77 N -0.36 1.87 -0.12 3.82 1.01 -0.33 -2.48 120.40 123.82 3mg5 s VAL 77 Ca 0.05 -0.87 -0.19 0.00 0.00 0.00 0.00 61.98 60.98 3mg5 s VAL 77 Cb -0.08 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 3mg5 s VAL 77 CO -0.00 0.51 0.51 0.00 0.00 0.00 0.00 175.10 176.12 3mg5 s ALA 78 N 0.85 3.46 -1.14 5.51 0.00 -1.26 -0.56 121.76 128.62 3mg5 s ALA 78 Ca -0.07 -0.16 -0.06 0.00 0.00 0.00 0.00 51.96 51.66 3mg5 s ALA 78 Cb -0.15 -2.70 0.03 0.00 0.00 0.00 0.00 23.12 20.29 3mg5 s ALA 78 CO -0.01 -0.05 2.70 0.91 0.00 0.00 0.00 175.76 179.30 3mg5 n TRP 79 N 3.78 2.16 -4.31 0.00 7.02 0.03 -4.75 117.44 121.37 3mg5 n TRP 79 Ca -0.06 -2.63 -0.26 0.00 -1.02 0.00 0.00 57.50 53.53 3mg5 n TRP 79 Cb 0.51 -1.90 -0.17 0.00 -2.42 0.00 0.00 31.31 27.34 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 -0.28 1.72 0.00 -0.99 2.20 -1.26 -0.90 119.74 120.23 3mg5 s LYS 80 Ca 0.60 -0.38 0.00 0.00 -0.36 0.00 0.00 55.97 55.83 3mg5 s LYS 80 Cb 0.23 -1.55 0.00 0.00 -1.51 0.00 0.00 37.83 35.00 3mg5 s LYS 80 CO -0.10 -0.10 0.00 0.27 -0.36 0.00 0.00 175.35 175.06 3mg5 n ASN 81 N 4.29 0.06 0.24 1.43 0.23 -0.33 -4.78 115.26 116.39 3mg5 n ASN 81 Ca -0.19 -0.62 0.16 0.00 -0.53 0.00 0.00 54.58 53.40 3mg5 n ASN 81 Cb 0.51 0.00 0.77 0.00 -2.08 0.00 0.00 39.78 38.98 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 -3.31 115.58 113.19 3mg5 h ASN 82 Ca 0.00 0.00 -0.28 0.00 -0.55 0.00 0.00 56.30 55.47 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 -2.04 -1.22 -1.65 0.00 0.00 177.43 172.52 3mg5 n TYR 83 N -2.70 0.00 -3.93 1.19 4.01 -1.26 -5.05 117.16 109.42 3mg5 n TYR 83 Ca -0.01 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.64 3mg5 n TYR 83 Cb 0.15 -0.70 -0.06 0.00 -0.31 0.00 0.00 39.34 38.43 3mg5 n TYR 83 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 3mg5 s ARG 84 N -2.36 1.25 -0.18 -0.72 1.70 -1.25 -5.12 118.95 112.28 3mg5 s ARG 84 Ca -0.25 -1.14 -0.03 0.00 -0.47 0.00 0.00 55.73 53.85 3mg5 s ARG 84 Cb 0.07 0.41 0.05 0.00 -0.57 0.00 0.00 34.95 34.92 3mg5 s ARG 84 CO 0.41 -0.48 0.03 1.21 -1.08 0.00 0.00 175.30 175.38 3mg5 s ASN 85 N -2.96 2.72 0.00 -2.89 3.84 -1.26 -1.19 114.94 113.20 3mg5 s ASN 85 Ca 0.17 -0.71 0.28 0.00 0.21 0.00 0.00 52.86 52.81 3mg5 s ASN 85 Cb 0.02 -0.58 1.08 0.00 -0.55 0.00 0.00 41.25 41.22 3mg5 s ASN 85 CO 0.01 -0.29 1.77 0.00 -2.79 0.00 0.00 177.10 175.80 3mg5 n ALA 86 N 5.06 2.85 -3.48 1.71 0.00 -0.08 -4.96 120.51 121.61 3mg5 n ALA 86 Ca -0.09 -0.31 -0.18 0.00 0.00 0.00 0.00 53.44 52.86 3mg5 n ALA 86 Cb 0.48 -1.27 0.07 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 -0.84 -2.15 -3.85 0.00 8.25 -1.26 -4.86 115.22 110.52 3mg5 n HIS 87 Ca 0.14 0.89 -0.08 0.00 -0.26 0.00 0.00 57.72 58.40 3mg5 n HIS 87 Cb 0.30 -4.72 -0.03 0.00 1.12 0.00 0.00 29.99 26.66 3mg5 n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3mg5 s SER 88 N -4.19 -0.23 -0.17 0.41 1.04 -1.26 -0.95 113.70 108.35 3mg5 s SER 88 Ca 0.08 -0.64 -0.16 0.00 0.48 0.00 0.00 55.95 55.72 3mg5 s SER 88 Cb -0.01 0.65 0.04 0.00 0.10 0.00 0.00 66.02 66.80 3mg5 s SER 88 CO 0.76 -1.20 0.45 0.00 0.98 0.00 0.00 173.24 174.23 3mg5 s ALA 89 N -3.93 -1.12 -0.05 5.32 0.00 -0.31 -0.79 121.76 120.87 3mg5 s ALA 89 Ca 0.13 1.29 0.05 0.00 0.00 0.00 0.00 51.96 53.43 3mg5 s ALA 89 Cb -0.03 -0.75 -0.02 0.00 0.00 0.00 0.00 23.12 22.32 3mg5 s ALA 89 CO 0.04 -0.22 -0.20 0.99 0.00 0.00 0.00 175.76 176.38 3mg5 s THR 90 N 0.28 2.57 -0.03 0.00 2.01 0.28 -0.82 115.64 119.92 3mg5 s THR 90 Ca -0.00 -0.89 0.05 0.00 0.31 0.00 0.00 61.69 61.16 3mg5 s THR 90 Cb -0.03 -1.97 -0.02 0.00 0.01 0.00 0.00 72.50 70.48 3mg5 s THR 90 CO 0.00 0.58 -0.18 0.42 -0.69 0.00 0.00 174.62 174.74 3mg5 s THR 91 N -0.44 2.70 -0.13 -0.82 -4.23 -0.36 -1.18 115.64 111.19 3mg5 s THR 91 Ca 0.05 -0.88 -0.00 0.00 -1.18 0.00 0.00 61.69 59.68 3mg5 s THR 91 Cb -0.12 -2.03 -0.02 0.00 1.34 0.00 0.00 72.50 71.68 3mg5 s THR 91 CO 0.02 0.58 -0.13 0.26 -0.54 0.00 0.00 174.62 174.80 3mg5 s TRP 92 N -0.70 2.81 -0.09 3.99 0.51 -0.07 -1.19 118.94 124.20 3mg5 s TRP 92 Ca 0.11 -0.62 0.03 0.00 -2.12 0.00 0.00 56.10 53.50 3mg5 s TRP 92 Cb -0.10 -1.84 0.01 0.00 -0.81 0.00 0.00 33.47 30.73 3mg5 s TRP 92 CO 0.00 -0.19 -0.19 0.45 -0.51 0.00 0.00 176.95 176.51 3mg5 s SER 93 N 0.30 2.59 0.00 2.95 0.15 -0.11 -1.46 113.70 118.13 3mg5 s SER 93 Ca -0.10 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.09 3mg5 s SER 93 Cb -0.16 -1.19 0.00 0.00 -1.71 0.00 0.00 66.02 62.96 3mg5 s SER 93 CO 0.06 0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.21 3mg5 n GLY 94 N 3.66 1.62 3.04 9.45 0.00 -0.20 -1.23 105.19 121.53 3mg5 n GLY 94 Ca -0.20 -0.55 -0.12 0.00 0.00 0.00 0.00 46.02 45.15 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 1.31 0.26 -0.11 1.61 -2.07 -0.46 -1.35 119.66 118.84 3mg5 s GLN 95 Ca 0.00 -0.04 -0.19 0.00 -1.82 0.00 0.00 55.36 53.31 3mg5 s GLN 95 Cb 0.00 0.11 -0.04 0.00 -1.09 0.00 0.00 33.01 31.99 3mg5 s GLN 95 CO 0.00 -0.05 0.52 -0.47 -1.32 0.00 0.00 175.29 173.97 3mg5 s TYR 96 N -0.45 3.52 -0.23 9.60 5.04 0.00 -1.12 117.35 133.71 3mg5 s TYR 96 Ca -0.05 0.95 0.02 0.00 -2.44 0.00 0.00 57.07 55.55 3mg5 s TYR 96 Cb -0.03 -2.60 0.04 0.00 0.35 0.00 0.00 41.96 39.72 3mg5 s TYR 96 CO 0.00 0.14 -0.14 0.08 -1.34 0.00 0.00 175.55 174.29 3mg5 s VAL 97 N 0.70 2.09 0.07 3.14 1.01 0.51 -0.81 120.40 127.10 3mg5 s VAL 97 Ca 0.28 -1.33 -0.01 0.00 0.00 0.00 0.00 61.98 60.92 3mg5 s VAL 97 Cb -0.16 -2.08 0.02 0.00 0.00 0.00 0.00 36.38 34.16 3mg5 s VAL 97 CO 0.12 0.19 0.09 0.61 0.00 0.00 0.00 175.10 176.11 3mg5 n GLY 98 N 4.52 -1.08 0.00 4.51 0.00 -1.26 -0.96 105.19 110.92 3mg5 n GLY 98 Ca -0.17 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.17 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 4.40 -0.64 0.30 -0.02 0.00 -1.26 -4.45 105.19 103.52 3mg5 n GLY 99 Ca 0.01 -2.19 -0.03 0.00 0.00 0.00 0.00 46.02 43.81 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 0.00 1.21 -2.03 4.61 0.00 -2.06 -2.92 119.26 118.07 3mg5 h ALA 100 Ca 0.00 -0.21 -0.67 0.00 0.00 0.00 0.00 54.91 54.03 3mg5 h ALA 100 Cb 0.00 -0.21 -0.37 0.00 0.00 0.00 0.00 17.79 17.21 3mg5 h ALA 100 CO 0.00 0.54 -0.10 0.39 0.00 0.00 0.00 179.25 180.08 3mg5 n GLU 101 N -4.26 3.52 -1.90 0.00 1.02 -1.26 -5.07 120.64 112.69 3mg5 n GLU 101 Ca 0.03 -4.70 -0.38 0.00 -0.02 0.00 0.00 57.16 52.09 3mg5 n GLU 101 Cb 0.24 -2.33 0.03 0.00 -0.02 0.00 0.00 31.44 29.36 3mg5 n GLU 101 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3mg5 s ALA 102 N -3.06 2.81 -0.03 0.62 0.00 -1.10 -4.93 121.76 116.07 3mg5 s ALA 102 Ca 0.40 1.22 -0.08 0.00 0.00 0.00 0.00 51.96 53.50 3mg5 s ALA 102 Cb 0.17 -3.52 0.01 0.00 0.00 0.00 0.00 23.12 19.78 3mg5 s ALA 102 CO -0.03 -1.22 0.19 1.03 0.00 0.00 0.00 175.76 175.72 3mg5 s ARG 103 N -2.91 0.44 -0.26 0.00 1.81 -0.13 -4.29 118.95 113.60 3mg5 s ARG 103 Ca 0.71 -0.15 -0.03 0.00 -1.72 0.00 0.00 55.73 54.54 3mg5 s ARG 103 Cb -0.37 0.19 0.03 0.00 -0.45 0.00 0.00 34.95 34.34 3mg5 s ARG 103 CO 0.44 -0.10 -0.03 0.42 -0.68 0.00 0.00 175.30 175.35 3mg5 s ILE 104 N -0.90 3.10 -0.26 1.52 1.01 -0.29 -0.37 121.20 125.02 3mg5 s ILE 104 Ca -0.10 -1.01 -0.09 0.00 0.00 0.00 0.00 60.65 59.45 3mg5 s ILE 104 Cb -0.05 -2.61 -0.04 0.00 0.01 0.00 0.00 42.46 39.77 3mg5 s ILE 104 CO 0.02 0.14 0.13 0.20 0.00 0.00 0.00 174.94 175.43 3mg5 s ASN 105 N 1.35 5.63 0.17 3.58 0.01 -0.28 -0.71 114.94 124.69 3mg5 s ASN 105 Ca -0.00 -0.08 0.06 0.00 -0.71 0.00 0.00 52.86 52.12 3mg5 s ASN 105 Cb -0.17 -2.03 -0.05 0.00 0.41 0.00 0.00 41.25 39.41 3mg5 s ASN 105 CO -0.03 -0.03 -0.12 0.42 -1.51 0.00 0.00 177.10 175.84 3mg5 s THR 106 N 1.61 1.38 0.19 1.60 -4.23 -0.03 -1.36 115.64 114.79 3mg5 s THR 106 Ca 0.07 -2.12 0.11 0.00 -1.18 0.00 0.00 61.69 58.57 3mg5 s THR 106 Cb -0.15 -1.93 -0.04 0.00 1.34 0.00 0.00 72.50 71.71 3mg5 s THR 106 CO 0.07 -0.68 -0.21 -1.10 -0.54 0.00 0.00 174.62 172.16 3mg5 s GLN 107 N -3.71 1.64 0.06 3.99 -0.21 -0.36 -2.02 119.66 119.05 3mg5 s GLN 107 Ca 0.19 -1.45 0.00 0.00 0.02 0.00 0.00 55.36 54.12 3mg5 s GLN 107 Cb 0.01 -1.92 -0.04 0.00 1.00 0.00 0.00 33.01 32.06 3mg5 s GLN 107 CO 0.03 0.41 -0.05 1.67 -2.12 0.00 0.00 175.29 175.23 3mg5 s TRP 108 N -1.64 0.64 -0.09 0.91 1.48 0.01 -0.93 118.94 119.32 3mg5 s TRP 108 Ca 0.21 -0.92 -0.00 0.00 -1.06 0.00 0.00 56.10 54.33 3mg5 s TRP 108 Cb -0.08 -0.42 0.02 0.00 -1.16 0.00 0.00 33.47 31.83 3mg5 s TRP 108 CO 0.11 -0.26 -0.05 -0.51 -4.06 0.00 0.00 176.95 172.18 3mg5 s LEU 109 N -2.73 1.08 -0.36 -4.66 1.43 -0.34 -2.11 118.68 111.00 3mg5 s LEU 109 Ca 0.05 -0.21 -0.04 0.00 -1.03 0.00 0.00 54.13 52.90 3mg5 s LEU 109 Cb 0.04 -0.67 0.07 0.00 0.03 0.00 0.00 46.19 45.66 3mg5 s LEU 109 CO -0.07 -0.11 0.12 -0.22 0.23 0.00 0.00 176.35 176.30 3mg5 s LEU 110 N 1.56 4.59 -0.21 1.79 2.96 0.07 -1.22 118.68 128.22 3mg5 s LEU 110 Ca 0.01 -1.52 -0.07 0.00 -0.22 0.00 0.00 54.13 52.32 3mg5 s LEU 110 Cb -0.13 -1.82 -0.04 0.00 0.50 0.00 0.00 46.19 44.70 3mg5 s LEU 110 CO -0.05 -0.40 0.07 -0.89 -1.32 0.00 0.00 176.35 173.76 3mg5 s THR 111 N 1.27 4.61 0.03 3.68 2.01 0.00 -0.75 115.64 126.49 3mg5 s THR 111 Ca 0.01 -0.09 -0.08 0.00 0.31 0.00 0.00 61.69 61.84 3mg5 s THR 111 Cb -0.21 -3.11 -0.05 0.00 0.01 0.00 0.00 72.50 69.14 3mg5 s THR 111 CO -0.01 0.41 0.31 -0.44 -0.69 0.00 0.00 174.62 174.20 3mg5 s SER 112 N 0.88 6.55 0.19 3.53 0.01 -0.09 -1.16 113.70 123.60 3mg5 s SER 112 Ca 0.04 0.64 -0.31 0.00 1.31 0.00 0.00 55.95 57.63 3mg5 s SER 112 Cb -0.14 -2.12 -0.10 0.00 0.21 0.00 0.00 66.02 63.87 3mg5 s SER 112 CO 0.03 0.24 1.50 -0.83 0.41 0.00 0.00 173.24 174.58 3mg5 s GLY 113 N -1.67 1.90 0.13 3.44 0.00 -0.12 -4.82 107.32 106.17 3mg5 s GLY 113 Ca 0.29 1.32 -0.01 0.00 0.00 0.00 0.00 44.72 46.32 3mg5 s GLY 113 CO 0.16 2.46 0.06 -0.51 0.00 0.00 0.00 173.10 175.27 3mg5 s THR 114 N 0.70 0.11 0.96 0.90 -4.23 -1.26 -5.01 115.64 107.81 3mg5 s THR 114 Ca 0.65 -1.90 -0.12 0.00 -1.18 0.00 0.00 61.69 59.15 3mg5 s THR 114 Cb -0.42 -2.02 0.17 0.00 1.34 0.00 0.00 72.50 71.57 3mg5 s THR 114 CO 0.36 -0.48 1.09 0.42 -0.54 0.00 0.00 174.62 175.46 3mg5 s THR 115 N -4.04 2.40 0.28 3.99 -4.23 -1.26 -4.86 115.64 107.91 3mg5 s THR 115 Ca 0.23 0.13 -0.01 0.00 -1.18 0.00 0.00 61.69 60.87 3mg5 s THR 115 Cb 0.07 -2.50 0.13 0.00 1.34 0.00 0.00 72.50 71.55 3mg5 s THR 115 CO 0.01 -0.17 1.80 -0.33 -0.54 0.00 0.00 174.62 175.39 3mg5 h GLU 116 N -1.83 0.76 -0.34 3.99 4.39 -2.01 -2.07 114.58 117.48 3mg5 h GLU 116 Ca -0.52 -0.18 0.01 0.00 0.34 0.00 0.00 59.36 59.01 3mg5 h GLU 116 Cb 1.30 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.83 3mg5 h GLU 116 CO 0.53 0.74 0.23 0.00 -1.16 0.00 0.00 179.01 179.35 3mg5 h ALA 117 N 1.33 1.80 -0.42 3.43 0.00 -2.07 -2.58 119.26 120.76 3mg5 h ALA 117 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3mg5 h ALA 117 Cb 0.38 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3mg5 h ALA 117 CO 0.01 0.17 0.00 0.09 0.00 0.00 0.00 179.25 179.52 3mg5 n ASN 118 N -4.49 3.46 0.22 0.00 3.02 -0.99 -4.55 115.26 111.94 3mg5 n ASN 118 Ca 0.02 -1.98 0.09 0.00 -0.03 0.00 0.00 54.58 52.69 3mg5 n ASN 118 Cb 0.10 -0.27 0.63 0.00 -0.61 0.00 0.00 39.78 39.63 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 4.27 2.03 -0.35 5.41 0.00 -0.96 -1.53 119.26 128.14 3mg5 h ALA 119 Ca 0.00 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.01 3mg5 h ALA 119 Cb 0.96 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3mg5 h ALA 119 CO 0.00 -0.05 0.31 0.11 0.00 0.00 0.00 179.25 179.62 3mg5 h TRP 120 N 0.03 0.00 -0.41 0.00 5.08 -1.80 -1.79 115.95 117.06 3mg5 h TRP 120 Ca 0.04 0.00 -0.24 0.00 1.08 0.00 0.00 58.89 59.77 3mg5 h TRP 120 Cb 0.10 0.00 -0.14 0.00 -3.00 0.00 0.00 29.16 26.12 3mg5 h TRP 120 CO -0.00 0.00 -0.14 0.36 -1.28 0.00 0.00 178.44 177.38 3mg5 n LYS 121 N -4.04 2.03 0.16 0.12 2.85 -0.58 -4.68 118.16 114.02 3mg5 n LYS 121 Ca 0.06 -3.31 0.12 0.00 -1.05 0.00 0.00 58.31 54.13 3mg5 n LYS 121 Cb 0.48 -1.88 0.27 0.00 -0.65 0.00 0.00 35.03 33.25 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 1.17 0.00 -3.30 -5.58 4.64 -1.36 -3.46 113.55 105.65 3mg5 h SER 122 Ca 0.25 -0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 61.04 3mg5 h SER 122 Cb 1.58 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 63.28 3mg5 h SER 122 CO 0.47 0.00 -0.78 -0.89 -0.87 0.00 0.00 176.83 174.76 3mg5 s THR 123 N -3.16 0.87 0.23 2.95 2.01 -1.26 -0.91 115.64 116.37 3mg5 s THR 123 Ca 0.08 -0.49 -0.10 0.00 0.31 0.00 0.00 61.69 61.50 3mg5 s THR 123 Cb 0.09 -1.11 -0.07 0.00 0.01 0.00 0.00 72.50 71.42 3mg5 s THR 123 CO 0.64 0.09 0.56 -0.76 -0.69 0.00 0.00 174.62 174.46 3mg5 s LEU 124 N 1.74 4.17 0.06 4.42 1.43 0.07 -4.92 118.68 125.64 3mg5 s LEU 124 Ca 0.01 0.95 0.06 0.00 -1.03 0.00 0.00 54.13 54.13 3mg5 s LEU 124 Cb -0.15 -3.69 -0.03 0.00 0.03 0.00 0.00 46.19 42.35 3mg5 s LEU 124 CO -0.07 -0.07 -0.17 0.54 0.23 0.00 0.00 176.35 176.81 3mg5 s VAL 125 N -1.81 1.32 0.00 -1.59 0.11 -1.26 -0.75 120.40 116.42 3mg5 s VAL 125 Ca 0.47 -1.22 0.00 0.00 -2.93 0.00 0.00 61.98 58.31 3mg5 s VAL 125 Cb -0.11 -1.21 0.00 0.00 -1.53 0.00 0.00 36.38 33.53 3mg5 s VAL 125 CO 0.21 -0.03 0.00 0.61 -3.33 0.00 0.00 175.10 172.55 3mg5 n GLY 126 N 1.57 1.86 3.07 6.54 0.00 -0.89 -4.99 105.19 112.34 3mg5 n GLY 126 Ca -0.19 -0.88 -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 -5.85 -0.30 -0.02 1.61 -3.43 -1.26 -0.81 115.29 105.22 3mg5 s HIS 127 Ca 0.00 0.72 0.06 0.00 -0.80 0.00 0.00 55.06 55.05 3mg5 s HIS 127 Cb 0.00 0.05 -0.02 0.00 -1.43 0.00 0.00 32.58 31.19 3mg5 s HIS 127 CO 0.00 -0.20 -0.22 -0.51 -2.00 0.00 0.00 174.74 171.82 3mg5 s ASP 128 N 0.91 2.57 -0.14 7.38 1.01 -0.86 -4.99 116.67 122.56 3mg5 s ASP 128 Ca -0.06 -0.40 0.00 0.00 0.71 0.00 0.00 52.55 52.80 3mg5 s ASP 128 Cb -0.08 -0.35 -0.01 0.00 1.01 0.00 0.00 42.92 43.49 3mg5 s ASP 128 CO -0.06 0.26 -0.15 -0.89 0.21 0.00 0.00 175.17 174.54 3mg5 s THR 129 N -0.44 2.83 -0.10 -1.27 2.01 -1.26 -0.85 115.64 116.56 3mg5 s THR 129 Ca 0.07 -0.73 0.00 0.00 0.31 0.00 0.00 61.69 61.34 3mg5 s THR 129 Cb -0.09 -2.19 -0.02 0.00 0.01 0.00 0.00 72.50 70.21 3mg5 s THR 129 CO -0.00 0.52 -0.10 -0.76 -0.69 0.00 0.00 174.62 173.59 3mg5 s LEU 130 N 0.55 2.94 0.24 4.42 1.43 0.11 -3.02 118.68 125.36 3mg5 s LEU 130 Ca -0.09 -0.17 0.05 0.00 -1.03 0.00 0.00 54.13 52.89 3mg5 s LEU 130 Cb -0.16 -1.65 -0.05 0.00 0.03 0.00 0.00 46.19 44.36 3mg5 s LEU 130 CO 0.04 0.27 -0.04 0.42 0.23 0.00 0.00 176.35 177.27 3mg5 s THR 131 N -0.27 1.31 -0.65 5.49 -4.23 -0.32 -1.13 115.64 115.84 3mg5 s THR 131 Ca 0.03 -2.08 0.26 0.00 -1.18 0.00 0.00 61.69 58.71 3mg5 s THR 131 Cb -0.13 -2.33 0.30 0.00 1.34 0.00 0.00 72.50 71.68 3mg5 s THR 131 CO 0.03 -0.36 1.75 0.11 -0.54 0.00 0.00 174.62 175.60 3mg5 h LYS 132 N 2.43 0.00 -5.92 3.99 1.79 -1.85 -0.25 116.57 116.76 3mg5 h LYS 132 Ca -0.39 0.00 -0.68 0.00 -2.18 0.00 0.00 60.65 57.40 3mg5 h LYS 132 Cb 1.22 0.00 -0.29 0.00 -1.58 0.00 0.00 32.23 31.58 3mg5 h LYS 132 CO 0.65 0.00 -0.85 0.08 -1.08 0.00 0.00 179.45 178.26 3mg5 s VAL 133 N -3.14 2.38 0.06 0.50 1.01 -1.26 -4.83 120.40 115.12 3mg5 s VAL 133 Ca 0.10 -0.94 -0.31 0.00 0.00 0.00 0.00 61.98 60.82 3mg5 s VAL 133 Cb 0.11 -1.90 -0.07 0.00 0.00 0.00 0.00 36.38 34.52 3mg5 s VAL 133 CO 0.60 0.57 1.43 -0.75 0.00 0.00 0.00 175.10 176.94 3mg5 s LYS 134 N -0.15 4.29 0.00 2.72 2.20 -1.26 -4.82 119.74 122.72 3mg5 s LYS 134 Ca -0.03 2.06 0.31 0.00 -0.36 0.00 0.00 55.97 57.95 3mg5 s LYS 134 Cb -0.14 -3.42 1.87 0.00 -1.51 0.00 0.00 37.83 34.63 3mg5 s LYS 134 CO 0.04 -0.53 2.19 -0.35 -0.36 0.00 0.00 175.35 176.34