#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 1.31 -2.90 -0.61 2.04 -1.97 -3.46 117.51 111.93 3mg5 h ILE 17 Ca 0.00 -2.79 -0.53 0.00 1.00 0.00 0.00 64.86 62.54 3mg5 h ILE 17 Cb 0.00 3.00 0.07 0.00 -0.74 0.00 0.00 36.82 39.14 3mg5 h ILE 17 CO 0.00 0.84 0.97 0.41 0.00 0.00 0.00 178.15 180.36 3mg5 n THR 18 N -3.65 0.39 0.00 -0.27 -1.04 -1.26 -4.81 114.28 103.64 3mg5 n THR 18 Ca -0.15 -0.10 0.00 0.00 -2.04 0.00 0.00 64.05 61.76 3mg5 n THR 18 Cb 1.08 -1.99 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 3.29 0.82 3.76 3.41 0.00 0.40 -5.00 105.19 111.88 3mg5 n GLY 19 Ca 0.13 -2.01 -0.36 0.00 0.00 0.00 0.00 46.02 43.78 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 -1.87 5.41 0.13 2.61 2.01 -1.26 -1.44 115.64 121.23 3mg5 s THR 20 Ca 0.00 0.24 0.06 0.00 0.31 0.00 0.00 61.69 62.31 3mg5 s THR 20 Cb 0.00 -3.48 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 3mg5 s THR 20 CO 0.00 0.47 -0.15 0.26 -0.69 0.00 0.00 174.62 174.51 3mg5 s TRP 21 N 0.12 1.47 -0.03 4.92 0.52 0.83 -4.73 118.94 122.03 3mg5 s TRP 21 Ca 0.10 -0.54 0.04 0.00 0.02 0.00 0.00 56.10 55.73 3mg5 s TRP 21 Cb -0.11 -0.76 -0.01 0.00 -1.15 0.00 0.00 33.47 31.44 3mg5 s TRP 21 CO -0.00 0.17 -0.16 0.71 0.02 0.00 0.00 176.95 177.69 3mg5 s TYR 22 N -2.09 1.53 0.56 -1.98 2.02 -0.33 -0.90 117.35 116.16 3mg5 s TYR 22 Ca 0.10 -0.36 0.09 0.00 -0.37 0.00 0.00 57.07 56.52 3mg5 s TYR 22 Cb -0.05 -1.01 0.07 0.00 -0.40 0.00 0.00 41.96 40.57 3mg5 s TYR 22 CO 0.04 -0.09 0.69 0.54 -1.57 0.00 0.00 175.55 175.15 3mg5 s ASN 23 N -0.14 4.99 0.16 2.29 2.20 -0.83 -0.91 114.94 122.69 3mg5 s ASN 23 Ca 0.01 -0.94 0.20 0.00 -0.94 0.00 0.00 52.86 51.19 3mg5 s ASN 23 Cb -0.09 0.31 0.85 0.00 -2.00 0.00 0.00 41.25 40.32 3mg5 s ASN 23 CO 0.01 -1.27 1.62 0.00 -2.94 0.00 0.00 177.10 174.52 3mg5 n GLN 24 N -2.12 0.12 0.00 3.55 0.00 -1.16 -2.28 117.38 115.51 3mg5 n GLN 24 Ca 0.11 0.35 0.12 0.00 0.00 0.00 0.00 57.00 57.58 3mg5 n GLN 24 Cb 0.62 -1.73 0.17 0.00 0.00 0.00 0.00 30.24 29.30 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 -1.97 1.39 0.00 2.61 4.77 -1.26 -4.96 117.00 117.59 3mg5 n LEU 25 Ca 0.03 -0.46 0.00 0.00 -0.03 0.00 0.00 56.01 55.54 3mg5 n LEU 25 Cb 0.21 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 3mg5 n LEU 25 CO 0.18 0.27 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 3mg5 n GLY 26 N 1.40 0.74 3.83 -0.72 0.00 -0.96 -4.67 105.19 104.80 3mg5 n GLY 26 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 3mg5 n GLY 26 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mg5 s SER 27 N -2.55 5.56 -0.12 1.61 1.04 -1.26 -4.54 113.70 113.44 3mg5 s SER 27 Ca 0.00 1.61 0.01 0.00 0.48 0.00 0.00 55.95 58.04 3mg5 s SER 27 Cb 0.00 -2.50 0.02 0.00 0.10 0.00 0.00 66.02 63.64 3mg5 s SER 27 CO 0.00 -1.32 -0.12 -0.89 0.98 0.00 0.00 173.24 171.89 3mg5 s THR 28 N -3.00 1.36 -0.27 2.02 2.01 -0.03 -1.98 115.64 115.75 3mg5 s THR 28 Ca 0.58 -0.52 -0.06 0.00 0.31 0.00 0.00 61.69 62.00 3mg5 s THR 28 Cb -0.14 -1.28 0.00 0.00 0.01 0.00 0.00 72.50 71.10 3mg5 s THR 28 CO 0.53 0.42 0.03 0.12 -0.69 0.00 0.00 174.62 175.03 3mg5 s PHE 29 N 1.31 3.09 -0.23 4.92 5.36 -0.07 -0.89 117.98 131.47 3mg5 s PHE 29 Ca -0.00 -0.98 -0.00 0.00 -0.96 0.00 0.00 56.93 54.98 3mg5 s PHE 29 Cb -0.14 -2.19 0.03 0.00 -0.34 0.00 0.00 43.02 40.38 3mg5 s PHE 29 CO -0.06 -0.56 -0.11 0.42 -1.46 0.00 0.00 175.22 173.45 3mg5 s ILE 30 N 1.48 2.54 0.04 3.12 1.01 -0.33 -0.12 121.20 128.94 3mg5 s ILE 30 Ca 0.03 -1.05 0.02 0.00 0.00 0.00 0.00 60.65 59.65 3mg5 s ILE 30 Cb -0.16 -2.25 -0.02 0.00 0.01 0.00 0.00 42.46 40.04 3mg5 s ILE 30 CO 0.00 0.29 -0.07 0.54 0.00 0.00 0.00 174.94 175.71 3mg5 s VAL 31 N 1.29 0.43 -0.12 2.92 0.11 -0.52 -0.67 120.40 123.84 3mg5 s VAL 31 Ca 0.01 -1.04 0.03 0.00 -2.93 0.00 0.00 61.98 58.05 3mg5 s VAL 31 Cb -0.16 -0.52 0.01 0.00 -1.53 0.00 0.00 36.38 34.18 3mg5 s VAL 31 CO -0.07 -0.41 -0.22 -0.89 -3.33 0.00 0.00 175.10 170.18 3mg5 s THR 32 N -1.40 1.99 -0.39 5.04 2.01 0.53 -0.45 115.64 122.97 3mg5 s THR 32 Ca -0.12 -0.95 -0.16 0.00 0.31 0.00 0.00 61.69 60.77 3mg5 s THR 32 Cb -0.10 -1.75 0.01 0.00 0.01 0.00 0.00 72.50 70.67 3mg5 s THR 32 CO 0.00 0.54 0.38 0.00 -0.69 0.00 0.00 174.62 174.85 3mg5 s ALA 33 N 0.69 3.46 0.59 7.40 0.00 -1.26 -1.98 121.76 130.66 3mg5 s ALA 33 Ca -0.11 -1.44 -0.12 0.00 0.00 0.00 0.00 51.96 50.29 3mg5 s ALA 33 Cb -0.16 -2.93 -0.05 0.00 0.00 0.00 0.00 23.12 19.98 3mg5 s ALA 33 CO 0.01 -1.37 1.00 0.20 0.00 0.00 0.00 175.76 175.61 3mg5 s GLY 34 N 1.76 1.74 0.56 0.00 0.00 0.49 -4.89 107.32 106.98 3mg5 s GLY 34 Ca 0.10 -0.06 0.26 0.00 0.00 0.00 0.00 44.72 45.02 3mg5 s GLY 34 CO 0.12 0.20 2.19 0.00 0.00 0.00 0.00 173.10 175.61 3mg5 h ALA 35 N -0.01 1.56 0.00 3.20 0.00 -1.98 -2.32 119.26 119.71 3mg5 h ALA 35 Ca -0.45 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3mg5 h ALA 35 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3mg5 h ALA 35 CO 0.62 0.05 -0.35 -0.40 0.00 0.00 0.00 179.25 179.16 3mg5 n ASP 36 N -3.94 0.46 0.00 0.00 5.75 -1.26 -4.90 116.55 112.65 3mg5 n ASP 36 Ca -0.03 0.12 0.00 0.00 -0.01 0.00 0.00 54.79 54.88 3mg5 n ASP 36 Cb 0.12 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.14 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 1.44 0.87 3.76 6.12 0.00 -0.87 -4.82 105.19 111.69 3mg5 n GLY 37 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.00 3.31 -0.12 4.61 0.00 -1.25 -0.89 121.76 125.42 3mg5 s ALA 38 Ca 0.00 0.73 0.02 0.00 0.00 0.00 0.00 51.96 52.71 3mg5 s ALA 38 Cb 0.00 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 19.85 3mg5 s ALA 38 CO 0.00 -0.02 -0.18 -0.51 0.00 0.00 0.00 175.76 175.06 3mg5 s LEU 39 N -1.66 2.44 0.03 0.00 1.43 -0.30 -0.38 118.68 120.25 3mg5 s LEU 39 Ca 0.47 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 53.14 3mg5 s LEU 39 Cb -0.27 -1.52 -0.02 0.00 0.03 0.00 0.00 46.19 44.41 3mg5 s LEU 39 CO 0.34 0.16 -0.06 0.42 0.23 0.00 0.00 176.35 177.43 3mg5 s THR 40 N 0.38 0.38 -3.60 5.49 -4.23 -0.84 -1.23 115.64 112.00 3mg5 s THR 40 Ca -0.14 -0.99 0.00 0.00 -1.18 0.00 0.00 61.69 59.38 3mg5 s THR 40 Cb -0.17 -0.48 0.00 0.00 1.34 0.00 0.00 72.50 73.19 3mg5 s THR 40 CO 0.07 -0.41 0.00 0.61 -0.54 0.00 0.00 174.62 174.35 3mg5 n GLY 41 N 1.55 -0.52 3.02 3.99 0.00 -1.05 -0.35 105.19 111.84 3mg5 n GLY 41 Ca -0.23 -0.66 -0.10 0.00 0.00 0.00 0.00 46.02 45.03 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 0.28 -0.03 2.61 -4.23 0.16 -1.67 115.64 108.76 3mg5 s THR 42 Ca 0.00 -1.07 0.05 0.00 -1.18 0.00 0.00 61.69 59.49 3mg5 s THR 42 Cb 0.00 -0.51 -0.01 0.00 1.34 0.00 0.00 72.50 73.32 3mg5 s THR 42 CO 0.00 -0.51 -0.17 -0.47 -0.54 0.00 0.00 174.62 172.93 3mg5 s TYR 43 N -1.68 1.60 -0.19 3.99 5.04 0.53 -1.19 117.35 125.45 3mg5 s TYR 43 Ca -0.11 -0.37 -0.01 0.00 -2.44 0.00 0.00 57.07 54.14 3mg5 s TYR 43 Cb -0.08 -1.05 0.05 0.00 0.35 0.00 0.00 41.96 41.22 3mg5 s TYR 43 CO -0.01 -0.09 -0.04 -2.00 -1.34 0.00 0.00 175.55 172.07 3mg5 s GLU 44 N -0.19 1.35 -0.01 4.97 2.12 -0.07 -0.49 118.70 126.38 3mg5 s GLU 44 Ca 0.02 -0.62 -0.21 0.00 0.36 0.00 0.00 54.97 54.52 3mg5 s GLU 44 Cb -0.09 -2.17 -0.05 0.00 0.26 0.00 0.00 34.13 32.09 3mg5 s GLU 44 CO 0.01 -0.51 0.63 0.45 -0.54 0.00 0.00 175.26 175.30 3mg5 s SER 45 N 1.61 6.99 0.03 -1.70 0.15 -1.26 -0.85 113.70 118.67 3mg5 s SER 45 Ca -0.01 1.19 0.27 0.00 0.70 0.00 0.00 55.95 58.09 3mg5 s SER 45 Cb -0.16 -2.38 1.11 0.00 -1.71 0.00 0.00 66.02 62.88 3mg5 s SER 45 CO -0.07 0.05 1.86 0.00 1.20 0.00 0.00 173.24 176.27 3mg5 n ALA 46 N 2.96 2.24 -2.25 5.45 0.00 -1.26 -4.81 120.51 122.84 3mg5 n ALA 46 Ca -0.05 -0.08 -0.14 0.00 0.00 0.00 0.00 53.44 53.17 3mg5 n ALA 46 Cb 0.51 -1.44 -0.10 0.00 0.00 0.00 0.00 19.45 18.41 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 -3.02 0.61 0.00 0.00 -7.23 -1.26 -5.01 120.40 104.49 3mg5 s VAL 47 Ca 0.13 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.32 3mg5 s VAL 47 Cb 0.17 -2.22 0.00 0.00 0.56 0.00 0.00 36.38 34.89 3mg5 s VAL 47 CO 0.51 -0.38 0.00 0.61 -0.31 0.00 0.00 175.10 175.53 3mg5 n GLY 48 N -0.27 -1.76 2.92 2.32 0.00 -1.26 -4.48 105.19 102.66 3mg5 n GLY 48 Ca -0.05 -1.38 -0.43 0.00 0.00 0.00 0.00 46.02 44.16 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 0.42 4.93 -3.73 1.61 2.85 -1.26 -4.87 115.26 115.20 3mg5 n ASN 49 Ca 0.00 -3.06 -0.13 0.00 -0.11 0.00 0.00 54.58 51.28 3mg5 n ASN 49 Cb 0.00 -1.52 -0.10 0.00 1.24 0.00 0.00 39.78 39.40 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 0.98 -0.97 -0.10 5.20 0.00 -1.26 -4.56 121.76 121.05 3mg5 s ALA 50 Ca 0.41 0.96 -0.08 0.00 0.00 0.00 0.00 51.96 53.25 3mg5 s ALA 50 Cb 0.09 -0.47 0.03 0.00 0.00 0.00 0.00 23.12 22.77 3mg5 s ALA 50 CO -0.01 -0.21 0.25 -1.83 0.00 0.00 0.00 175.76 173.96 3mg5 s GLU 51 N -0.18 0.28 2.51 0.00 -1.05 -1.26 -4.93 118.70 114.06 3mg5 s GLU 51 Ca -0.03 0.38 0.00 0.00 -0.15 0.00 0.00 54.97 55.17 3mg5 s GLU 51 Cb -0.03 0.09 0.00 0.00 -0.44 0.00 0.00 34.13 33.75 3mg5 s GLU 51 CO 0.02 -0.06 0.00 0.45 0.95 0.00 0.00 175.26 176.62 3mg5 n SER 52 N 3.18 -2.78 -4.87 0.83 2.88 -1.26 -4.84 113.62 106.77 3mg5 n SER 52 Ca -0.15 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.07 3mg5 n SER 52 Cb 0.57 0.00 -0.06 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 3.87 0.06 -1.46 0.52 -1.26 -4.41 118.95 116.27 3mg5 s ARG 53 Ca 0.00 0.39 0.06 0.00 -0.52 0.00 0.00 55.73 55.67 3mg5 s ARG 53 Cb 0.00 -2.61 -0.03 0.00 0.52 0.00 0.00 34.95 32.83 3mg5 s ARG 53 CO 0.00 0.29 -0.18 0.71 0.02 0.00 0.00 175.30 176.14 3mg5 s TYR 54 N -1.84 1.53 0.26 -0.53 2.02 0.36 -4.86 117.35 114.29 3mg5 s TYR 54 Ca 0.49 -0.40 -0.30 0.00 -0.37 0.00 0.00 57.07 56.49 3mg5 s TYR 54 Cb -0.11 -0.88 -0.10 0.00 -0.40 0.00 0.00 41.96 40.47 3mg5 s TYR 54 CO 0.20 0.10 1.40 0.08 -1.57 0.00 0.00 175.55 175.76 3mg5 s VAL 55 N -1.00 2.72 0.11 0.71 1.01 -1.26 -0.34 120.40 122.34 3mg5 s VAL 55 Ca 0.04 0.63 0.09 0.00 0.00 0.00 0.00 61.98 62.73 3mg5 s VAL 55 Cb -0.09 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.85 3mg5 s VAL 55 CO 0.02 0.11 -0.22 -1.48 0.00 0.00 0.00 175.10 173.54 3mg5 s LEU 56 N -0.66 2.31 0.02 3.92 0.05 -0.67 -4.33 118.68 119.31 3mg5 s LEU 56 Ca 0.57 -0.70 -0.02 0.00 0.05 0.00 0.00 54.13 54.02 3mg5 s LEU 56 Cb -0.41 -0.94 -0.01 0.00 -2.05 0.00 0.00 46.19 42.78 3mg5 s LEU 56 CO 0.45 0.07 0.03 0.42 -0.55 0.00 0.00 176.35 176.77 3mg5 s THR 57 N -1.18 0.10 0.00 5.48 -4.23 -1.05 -2.53 115.64 112.24 3mg5 s THR 57 Ca 0.08 -0.86 0.00 0.00 -1.18 0.00 0.00 61.69 59.73 3mg5 s THR 57 Cb -0.10 -0.35 0.00 0.00 1.34 0.00 0.00 72.50 73.39 3mg5 s THR 57 CO 0.05 -0.47 0.00 0.61 -0.54 0.00 0.00 174.62 174.26 3mg5 n GLY 58 N 1.50 1.85 3.06 3.99 0.00 -0.37 -1.05 105.19 114.18 3mg5 n GLY 58 Ca -0.23 -0.73 -0.10 0.00 0.00 0.00 0.00 46.02 44.96 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 0.45 0.46 0.06 1.61 1.81 -0.45 -1.15 118.95 121.74 3mg5 s ARG 59 Ca 0.00 -0.61 -0.02 0.00 -1.72 0.00 0.00 55.73 53.38 3mg5 s ARG 59 Cb 0.00 0.18 -0.04 0.00 -0.45 0.00 0.00 34.95 34.64 3mg5 s ARG 59 CO 0.00 -0.10 0.00 1.52 -0.68 0.00 0.00 175.30 176.04 3mg5 s TYR 60 N -1.88 0.53 -0.43 -0.53 -0.85 -0.06 -1.41 117.35 112.71 3mg5 s TYR 60 Ca -0.11 -1.05 -0.28 0.00 -0.52 0.00 0.00 57.07 55.10 3mg5 s TYR 60 Cb -0.06 -0.37 0.00 0.00 0.38 0.00 0.00 41.96 41.91 3mg5 s TYR 60 CO -0.02 -0.41 1.55 0.34 -1.52 0.00 0.00 175.55 175.49 3mg5 s ASP 61 N -2.93 6.09 0.00 -0.18 2.15 -0.33 -4.49 116.67 116.98 3mg5 s ASP 61 Ca 0.09 0.81 0.24 0.00 0.43 0.00 0.00 52.55 54.12 3mg5 s ASP 61 Cb 0.08 -2.54 1.23 0.00 -0.30 0.00 0.00 42.92 41.39 3mg5 s ASP 61 CO -0.09 -1.64 1.82 -1.54 -0.17 0.00 0.00 175.17 173.56 3mg5 n SER 62 N 9.67 0.63 -3.14 -0.34 3.41 -1.26 -3.91 113.62 118.68 3mg5 n SER 62 Ca 0.18 -1.39 -0.20 0.00 -0.26 0.00 0.00 58.87 57.20 3mg5 n SER 62 Cb 0.48 -0.02 -0.04 0.00 -0.26 0.00 0.00 64.21 64.37 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 -0.43 1.88 -1.08 7.33 0.00 -1.26 -5.01 120.51 121.94 3mg5 n ALA 63 Ca 0.18 -3.19 -0.29 0.00 0.00 0.00 0.00 53.44 50.13 3mg5 n ALA 63 Cb 0.19 -0.91 0.16 0.00 0.00 0.00 0.00 19.45 18.89 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 -1.52 0.75 0.78 0.00 0.04 -1.25 -5.01 135.00 128.78 3mg5 s PRO 64 Ca 0.36 0.79 -0.15 0.00 0.04 0.00 0.00 61.00 62.05 3mg5 s PRO 64 Cb 0.25 -1.75 0.04 0.00 0.04 0.00 0.00 34.50 33.08 3mg5 s PRO 64 CO -0.10 -2.58 1.00 0.00 0.04 0.00 0.00 177.00 175.36 3mg5 n ALA 65 N -4.11 -0.38 -0.56 8.56 0.00 -1.26 -4.97 120.51 117.79 3mg5 n ALA 65 Ca 0.06 -0.28 0.07 0.00 0.00 0.00 0.00 53.44 53.29 3mg5 n ALA 65 Cb 0.55 -2.14 0.18 0.00 0.00 0.00 0.00 19.45 18.05 3mg5 n ALA 65 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3mg5 n THR 66 N -2.92 1.59 0.22 0.00 -2.24 -1.26 -4.65 114.28 105.03 3mg5 n THR 66 Ca 0.13 -1.45 0.09 0.00 -2.27 0.00 0.00 64.05 60.55 3mg5 n THR 66 Cb 0.50 0.14 0.25 0.00 -2.10 0.00 0.00 70.33 69.12 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 -0.12 3.01 0.00 3.42 5.75 -1.26 -4.91 116.55 122.44 3mg5 n ASP 67 Ca 0.15 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.93 3mg5 n ASP 67 Cb 0.62 -0.37 0.00 0.00 -1.03 0.00 0.00 41.12 40.34 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 1.40 1.74 3.61 6.12 0.00 -1.26 -5.07 105.19 111.72 3mg5 n GLY 68 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 3mg5 n GLY 68 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3mg5 n SER 69 N 0.00 0.16 -4.81 1.61 7.64 -1.26 -4.96 113.62 112.00 3mg5 n SER 69 Ca 0.00 0.54 -0.29 0.00 1.01 0.00 0.00 58.87 60.13 3mg5 n SER 69 Cb 0.00 -1.41 0.10 0.00 -1.01 0.00 0.00 64.21 61.89 3mg5 n SER 69 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3mg5 s GLY 70 N -2.01 1.61 -0.30 0.23 0.00 -1.26 -4.83 107.32 100.75 3mg5 s GLY 70 Ca 0.69 -0.35 -0.10 0.00 0.00 0.00 0.00 44.72 44.96 3mg5 s GLY 70 CO 0.55 0.12 0.17 -1.59 0.00 0.00 0.00 173.10 172.35 3mg5 s THR 71 N -3.24 4.91 0.31 0.90 2.01 0.16 -4.75 115.64 115.95 3mg5 s THR 71 Ca 0.62 -0.19 -0.29 0.00 0.31 0.00 0.00 61.69 62.14 3mg5 s THR 71 Cb -0.14 -3.44 -0.10 0.00 0.01 0.00 0.00 72.50 68.84 3mg5 s THR 71 CO 0.53 0.13 1.16 0.00 -0.69 0.00 0.00 174.62 175.76 3mg5 s ALA 72 N 1.68 3.39 0.24 7.40 0.00 -1.26 -0.63 121.76 132.57 3mg5 s ALA 72 Ca 0.06 1.00 -0.19 0.00 0.00 0.00 0.00 51.96 52.82 3mg5 s ALA 72 Cb -0.17 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 19.61 3mg5 s ALA 72 CO 0.08 -0.34 0.62 -0.48 0.00 0.00 0.00 175.76 175.64 3mg5 s LEU 73 N -1.71 -0.12 0.09 0.00 2.34 -0.50 -1.19 118.68 117.59 3mg5 s LEU 73 Ca 0.48 -0.56 -0.25 0.00 0.06 0.00 0.00 54.13 53.86 3mg5 s LEU 73 Cb -0.34 2.41 0.08 0.00 -0.56 0.00 0.00 46.19 47.79 3mg5 s LEU 73 CO 0.43 -1.20 0.72 -0.83 -1.06 0.00 0.00 176.35 174.42 3mg5 s GLY 74 N -2.90 -0.56 0.16 -3.48 0.00 -0.50 -1.18 107.32 98.86 3mg5 s GLY 74 Ca 0.11 0.71 -0.15 0.00 0.00 0.00 0.00 44.72 45.40 3mg5 s GLY 74 CO 0.02 0.24 0.41 0.66 0.00 0.00 0.00 173.10 174.43 3mg5 s TRP 75 N -3.48 -0.02 0.00 1.90 -2.14 -0.46 -1.34 118.94 113.40 3mg5 s TRP 75 Ca 0.03 -0.32 0.06 0.00 2.66 0.00 0.00 56.10 58.52 3mg5 s TRP 75 Cb -0.01 0.22 -0.02 0.00 -3.10 0.00 0.00 33.47 30.57 3mg5 s TRP 75 CO -0.11 -0.78 -0.18 0.99 -2.66 0.00 0.00 176.95 174.21 3mg5 s THR 76 N -3.87 1.41 -0.12 0.66 2.01 -0.21 -0.99 115.64 114.51 3mg5 s THR 76 Ca 0.08 -0.85 0.02 0.00 0.31 0.00 0.00 61.69 61.25 3mg5 s THR 76 Cb 0.01 -1.19 0.01 0.00 0.01 0.00 0.00 72.50 71.35 3mg5 s THR 76 CO -0.06 0.32 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.33 3mg5 s VAL 77 N -0.52 1.68 -0.18 3.82 1.01 -0.19 -2.52 120.40 123.51 3mg5 s VAL 77 Ca 0.06 -0.75 -0.18 0.00 0.00 0.00 0.00 61.98 61.11 3mg5 s VAL 77 Cb -0.07 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.75 3mg5 s VAL 77 CO -0.00 0.48 0.51 0.00 0.00 0.00 0.00 175.10 176.08 3mg5 s ALA 78 N 1.01 3.53 -0.46 5.51 0.00 -1.26 -0.90 121.76 129.18 3mg5 s ALA 78 Ca -0.05 -0.36 -0.07 0.00 0.00 0.00 0.00 51.96 51.48 3mg5 s ALA 78 Cb -0.15 -2.77 -0.22 0.00 0.00 0.00 0.00 23.12 19.98 3mg5 s ALA 78 CO -0.03 -0.35 3.44 0.91 0.00 0.00 0.00 175.76 179.73 3mg5 n TRP 79 N 4.54 0.69 -4.61 0.00 7.02 -0.20 -4.75 117.44 120.14 3mg5 n TRP 79 Ca -0.05 -1.95 -0.28 0.00 -1.02 0.00 0.00 57.50 54.20 3mg5 n TRP 79 Cb 0.51 -1.85 -0.17 0.00 -2.42 0.00 0.00 31.31 27.38 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 1.29 2.19 0.00 -0.99 2.20 -1.26 -1.02 119.74 122.15 3mg5 s LYS 80 Ca 0.68 -0.56 0.00 0.00 -0.36 0.00 0.00 55.97 55.72 3mg5 s LYS 80 Cb 0.28 -1.81 0.00 0.00 -1.51 0.00 0.00 37.83 34.79 3mg5 s LYS 80 CO -0.02 -0.00 0.00 0.27 -0.36 0.00 0.00 175.35 175.24 3mg5 n ASN 81 N 3.99 0.07 0.31 1.43 0.23 -0.55 -4.75 115.26 116.00 3mg5 n ASN 81 Ca -0.20 -0.61 0.20 0.00 -0.53 0.00 0.00 54.58 53.44 3mg5 n ASN 81 Cb 0.52 0.00 0.97 0.00 -2.08 0.00 0.00 39.78 39.19 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 -1.95 -3.26 115.58 113.24 3mg5 h ASN 82 Ca 0.00 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.42 3mg5 h ASN 82 Cb 0.00 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.31 3mg5 h ASN 82 CO 0.00 0.00 -2.22 -1.22 -1.65 0.00 0.00 177.43 172.34 3mg5 n TYR 83 N -3.10 0.00 -3.73 1.19 4.01 -1.26 -5.07 117.16 109.19 3mg5 n TYR 83 Ca -0.01 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.71 3mg5 n TYR 83 Cb 0.18 -0.88 -0.01 0.00 -0.31 0.00 0.00 39.34 38.32 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 -2.43 0.95 -0.10 -0.72 1.70 -1.23 -5.08 118.95 112.04 3mg5 s ARG 84 Ca -0.09 -0.54 -0.03 0.00 -0.47 0.00 0.00 55.73 54.60 3mg5 s ARG 84 Cb 0.05 0.32 0.05 0.00 -0.57 0.00 0.00 34.95 34.80 3mg5 s ARG 84 CO 0.73 -0.44 0.10 1.21 -1.08 0.00 0.00 175.30 175.82 3mg5 s ASN 85 N -3.02 1.43 0.00 -2.89 3.84 -1.26 -1.48 114.94 111.56 3mg5 s ASN 85 Ca 0.14 -0.10 0.28 0.00 0.21 0.00 0.00 52.86 53.39 3mg5 s ASN 85 Cb 0.00 -0.03 0.99 0.00 -0.55 0.00 0.00 41.25 41.66 3mg5 s ASN 85 CO 0.01 -0.29 1.72 0.00 -2.79 0.00 0.00 177.10 175.75 3mg5 n ALA 86 N 5.30 2.93 -3.62 1.71 0.00 -0.19 -4.96 120.51 121.68 3mg5 n ALA 86 Ca -0.05 -0.30 -0.21 0.00 0.00 0.00 0.00 53.44 52.87 3mg5 n ALA 86 Cb 0.50 -1.26 0.04 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 -0.98 -2.00 -3.68 0.00 -0.00 -1.26 -4.85 115.22 102.45 3mg5 n HIS 87 Ca 0.12 0.80 -0.10 0.00 -0.00 0.00 0.00 57.72 58.54 3mg5 n HIS 87 Cb 0.31 -4.31 -0.03 0.00 -0.00 0.00 0.00 29.99 25.96 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 -4.14 -0.31 -0.07 0.41 1.04 -1.26 -1.01 113.70 108.36 3mg5 s SER 88 Ca 0.11 -0.38 -0.07 0.00 0.48 0.00 0.00 55.95 56.09 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 0.80 -1.03 0.21 0.00 0.98 0.00 0.00 173.24 174.20 3mg5 s ALA 89 N -3.85 -0.51 -0.06 5.32 0.00 -0.24 -1.03 121.76 121.41 3mg5 s ALA 89 Ca 0.07 0.54 0.04 0.00 0.00 0.00 0.00 51.96 52.61 3mg5 s ALA 89 Cb -0.01 -0.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.78 3mg5 s ALA 89 CO -0.05 -0.11 -0.18 0.99 0.00 0.00 0.00 175.76 176.41 3mg5 s THR 90 N -0.00 2.68 -0.06 0.00 2.01 -0.08 -0.74 115.64 119.44 3mg5 s THR 90 Ca -0.01 -0.85 0.04 0.00 0.31 0.00 0.00 61.69 61.17 3mg5 s THR 90 Cb -0.02 -2.03 -0.02 0.00 0.01 0.00 0.00 72.50 70.44 3mg5 s THR 90 CO 0.00 0.58 -0.15 0.42 -0.69 0.00 0.00 174.62 174.78 3mg5 s THR 91 N -0.45 2.94 -0.12 -0.82 -4.23 -0.39 -1.02 115.64 111.55 3mg5 s THR 91 Ca 0.05 -0.76 0.01 0.00 -1.18 0.00 0.00 61.69 59.81 3mg5 s THR 91 Cb -0.12 -2.15 -0.01 0.00 1.34 0.00 0.00 72.50 71.56 3mg5 s THR 91 CO 0.02 0.58 -0.16 0.26 -0.54 0.00 0.00 174.62 174.78 3mg5 s TRP 92 N -0.57 2.74 -0.11 3.99 0.51 -0.17 -1.20 118.94 124.14 3mg5 s TRP 92 Ca 0.08 -0.74 0.03 0.00 -2.12 0.00 0.00 56.10 53.35 3mg5 s TRP 92 Cb -0.11 -1.81 0.01 0.00 -0.81 0.00 0.00 33.47 30.75 3mg5 s TRP 92 CO 0.01 -0.26 -0.21 0.45 -0.51 0.00 0.00 176.95 176.44 3mg5 s SER 93 N 0.32 2.88 0.00 2.95 0.15 -0.09 -1.36 113.70 118.55 3mg5 s SER 93 Ca -0.13 -0.53 0.00 0.00 0.70 0.00 0.00 55.95 55.99 3mg5 s SER 93 Cb -0.16 -1.32 0.00 0.00 -1.71 0.00 0.00 66.02 62.83 3mg5 s SER 93 CO 0.06 0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.22 3mg5 n GLY 94 N 3.81 1.73 3.05 9.45 0.00 -0.33 -1.24 105.19 121.67 3mg5 n GLY 94 Ca -0.20 -0.51 -0.12 0.00 0.00 0.00 0.00 46.02 45.19 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 1.45 0.25 -0.04 1.61 -2.07 -0.53 -1.42 119.66 118.92 3mg5 s GLN 95 Ca 0.00 0.07 -0.21 0.00 -1.82 0.00 0.00 55.36 53.40 3mg5 s GLN 95 Cb 0.00 0.12 -0.05 0.00 -1.09 0.00 0.00 33.01 31.99 3mg5 s GLN 95 CO 0.00 -0.04 0.61 -0.47 -1.32 0.00 0.00 175.29 174.07 3mg5 s TYR 96 N -0.26 3.63 -0.14 9.60 5.04 0.19 -1.32 117.35 134.09 3mg5 s TYR 96 Ca -0.03 1.17 0.01 0.00 -2.44 0.00 0.00 57.07 55.78 3mg5 s TYR 96 Cb -0.03 -2.66 0.02 0.00 0.35 0.00 0.00 41.96 39.64 3mg5 s TYR 96 CO 0.01 0.24 -0.17 0.08 -1.34 0.00 0.00 175.55 174.36 3mg5 s VAL 97 N 0.24 1.75 0.00 3.14 1.01 0.68 -0.66 120.40 126.55 3mg5 s VAL 97 Ca 0.32 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.53 3mg5 s VAL 97 Cb -0.18 -1.59 0.00 0.00 0.00 0.00 0.00 36.38 34.61 3mg5 s VAL 97 CO 0.16 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.36 3mg5 n GLY 98 N 4.42 -0.02 0.00 4.51 0.00 -1.26 -0.81 105.19 112.03 3mg5 n GLY 98 Ca -0.19 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.01 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 5.00 -1.26 0.34 -0.02 0.00 -1.26 -4.36 105.19 103.64 3mg5 n GLY 99 Ca 0.00 -2.11 0.03 0.00 0.00 0.00 0.00 46.02 43.94 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 1.60 -2.12 4.61 0.00 -2.06 -2.90 119.26 118.38 3mg5 h ALA 100 Ca 0.00 -0.04 -0.64 0.00 0.00 0.00 0.00 54.91 54.23 3mg5 h ALA 100 Cb 0.00 -0.24 -0.39 0.00 0.00 0.00 0.00 17.79 17.16 3mg5 h ALA 100 CO 0.00 0.34 -0.31 0.39 0.00 0.00 0.00 179.25 179.67 3mg5 n GLU 101 N -4.45 3.08 -1.91 0.00 1.02 -1.26 -5.08 120.64 112.04 3mg5 n GLU 101 Ca 0.08 -4.69 -0.38 0.00 -0.02 0.00 0.00 57.16 52.15 3mg5 n GLU 101 Cb 0.10 -2.31 0.03 0.00 -0.02 0.00 0.00 31.44 29.25 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 -2.77 2.80 -0.03 0.62 0.00 -1.10 -4.90 121.76 116.38 3mg5 s ALA 102 Ca 0.40 1.20 -0.18 0.00 0.00 0.00 0.00 51.96 53.38 3mg5 s ALA 102 Cb 0.16 -3.51 0.03 0.00 0.00 0.00 0.00 23.12 19.80 3mg5 s ALA 102 CO -0.02 -1.20 0.39 -0.98 0.00 0.00 0.00 175.76 173.95 3mg5 s ARG 103 N -2.93 0.73 -0.26 0.00 1.70 0.01 -4.25 118.95 113.95 3mg5 s ARG 103 Ca 0.71 -0.05 -0.01 0.00 -0.47 0.00 0.00 55.73 55.90 3mg5 s ARG 103 Cb -0.36 0.33 0.03 0.00 -0.57 0.00 0.00 34.95 34.38 3mg5 s ARG 103 CO 0.43 -0.20 -0.05 0.42 -1.08 0.00 0.00 175.30 174.82 3mg5 s ILE 104 N -1.19 2.86 -0.24 4.99 1.01 -0.34 -0.23 121.20 128.05 3mg5 s ILE 104 Ca -0.12 -1.15 -0.10 0.00 0.00 0.00 0.00 60.65 59.29 3mg5 s ILE 104 Cb -0.04 -2.51 -0.05 0.00 0.01 0.00 0.00 42.46 39.87 3mg5 s ILE 104 CO 0.05 0.11 0.14 0.20 0.00 0.00 0.00 174.94 175.44 3mg5 s ASN 105 N 1.29 5.86 0.14 3.58 0.01 -0.43 -0.82 114.94 124.57 3mg5 s ASN 105 Ca -0.02 0.02 0.05 0.00 -0.71 0.00 0.00 52.86 52.20 3mg5 s ASN 105 Cb -0.18 -2.06 -0.04 0.00 0.41 0.00 0.00 41.25 39.38 3mg5 s ASN 105 CO -0.04 0.03 -0.11 0.42 -1.51 0.00 0.00 177.10 175.90 3mg5 s THR 106 N 1.25 1.18 0.16 1.60 -4.23 -0.35 -1.45 115.64 113.80 3mg5 s THR 106 Ca 0.07 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.68 3mg5 s THR 106 Cb -0.14 -1.79 -0.04 0.00 1.34 0.00 0.00 72.50 71.87 3mg5 s THR 106 CO 0.06 -0.70 -0.22 -1.10 -0.54 0.00 0.00 174.62 172.11 3mg5 s GLN 107 N -3.58 1.60 0.07 3.99 -0.21 -0.37 -2.03 119.66 119.14 3mg5 s GLN 107 Ca 0.15 -1.39 0.01 0.00 0.02 0.00 0.00 55.36 54.15 3mg5 s GLN 107 Cb 0.01 -1.94 -0.04 0.00 1.00 0.00 0.00 33.01 32.04 3mg5 s GLN 107 CO 0.01 0.43 -0.06 1.67 -2.12 0.00 0.00 175.29 175.22 3mg5 s TRP 108 N -1.43 0.75 -0.09 0.91 1.48 0.23 -0.91 118.94 119.87 3mg5 s TRP 108 Ca 0.19 -0.84 0.00 0.00 -1.06 0.00 0.00 56.10 54.39 3mg5 s TRP 108 Cb -0.09 -0.45 0.02 0.00 -1.16 0.00 0.00 33.47 31.79 3mg5 s TRP 108 CO 0.10 -0.18 -0.08 -0.51 -4.06 0.00 0.00 176.95 172.22 3mg5 s LEU 109 N -2.64 1.26 -0.32 -4.66 1.43 -0.34 -1.99 118.68 111.42 3mg5 s LEU 109 Ca 0.05 -0.27 -0.01 0.00 -1.03 0.00 0.00 54.13 52.86 3mg5 s LEU 109 Cb 0.02 -0.78 0.07 0.00 0.03 0.00 0.00 46.19 45.53 3mg5 s LEU 109 CO -0.04 -0.08 0.04 -0.22 0.23 0.00 0.00 176.35 176.27 3mg5 s LEU 110 N 1.42 4.22 -0.19 1.79 2.96 0.13 -1.27 118.68 127.74 3mg5 s LEU 110 Ca -0.01 -1.49 -0.07 0.00 -0.22 0.00 0.00 54.13 52.35 3mg5 s LEU 110 Cb -0.13 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 3mg5 s LEU 110 CO -0.05 -0.32 0.05 -0.89 -1.32 0.00 0.00 176.35 173.82 3mg5 s THR 111 N 1.20 4.60 -0.09 3.68 2.01 0.08 -0.95 115.64 126.17 3mg5 s THR 111 Ca -0.02 -0.10 -0.06 0.00 0.31 0.00 0.00 61.69 61.83 3mg5 s THR 111 Cb -0.20 -3.08 -0.04 0.00 0.01 0.00 0.00 72.50 69.19 3mg5 s THR 111 CO -0.02 0.45 0.14 -0.44 -0.69 0.00 0.00 174.62 174.05 3mg5 s SER 112 N 0.56 6.31 0.17 3.53 0.01 0.06 -1.07 113.70 123.27 3mg5 s SER 112 Ca 0.02 0.42 -0.32 0.00 1.31 0.00 0.00 55.95 57.38 3mg5 s SER 112 Cb -0.13 -2.01 -0.12 0.00 0.21 0.00 0.00 66.02 63.97 3mg5 s SER 112 CO 0.01 0.37 1.75 0.61 0.41 0.00 0.00 173.24 176.40 3mg5 n GLY 113 N 1.74 1.55 3.22 3.44 0.00 -0.18 -4.80 105.19 110.17 3mg5 n GLY 113 Ca -0.18 0.66 -0.13 0.00 0.00 0.00 0.00 46.02 46.37 3mg5 n GLY 113 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mg5 s THR 114 N 1.71 0.49 0.92 2.61 -4.23 -1.26 -5.01 115.64 110.87 3mg5 s THR 114 Ca 0.78 -1.96 -0.11 0.00 -1.18 0.00 0.00 61.69 59.21 3mg5 s THR 114 Cb -0.51 -2.15 0.14 0.00 1.34 0.00 0.00 72.50 71.32 3mg5 s THR 114 CO 0.35 -0.42 1.09 0.42 -0.54 0.00 0.00 174.62 175.52 3mg5 s THR 115 N -3.78 2.57 0.28 3.99 -4.23 -1.26 -4.88 115.64 108.33 3mg5 s THR 115 Ca 0.26 0.18 -0.01 0.00 -1.18 0.00 0.00 61.69 60.94 3mg5 s THR 115 Cb 0.07 -2.59 0.16 0.00 1.34 0.00 0.00 72.50 71.47 3mg5 s THR 115 CO 0.04 -0.24 1.83 -0.33 -0.54 0.00 0.00 174.62 175.38 3mg5 h GLU 116 N -1.66 0.83 0.00 3.99 5.08 -2.01 -2.00 114.58 118.81 3mg5 h GLU 116 Ca -0.50 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 57.67 3mg5 h GLU 116 Cb 1.29 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.41 3mg5 h GLU 116 CO 0.53 0.74 -0.12 0.00 -1.00 0.00 0.00 179.01 179.16 3mg5 h ALA 117 N 1.35 1.60 -0.38 3.43 0.00 -2.07 -2.35 119.26 120.84 3mg5 h ALA 117 Ca 0.18 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3mg5 h ALA 117 Cb 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3mg5 h ALA 117 CO -0.00 0.15 0.00 0.09 0.00 0.00 0.00 179.25 179.49 3mg5 n ASN 118 N -4.11 3.34 0.26 0.00 3.02 -0.89 -4.58 115.26 112.31 3mg5 n ASN 118 Ca -0.02 -1.96 0.10 0.00 -0.03 0.00 0.00 54.58 52.67 3mg5 n ASN 118 Cb 0.20 -0.24 0.71 0.00 -0.61 0.00 0.00 39.78 39.84 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 4.09 1.72 -0.07 5.41 0.00 -0.81 -1.43 119.26 128.17 3mg5 h ALA 119 Ca 0.00 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.89 3mg5 h ALA 119 Cb 0.93 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 3mg5 h ALA 119 CO 0.00 0.06 0.07 0.11 0.00 0.00 0.00 179.25 179.49 3mg5 h TRP 120 N 0.00 0.00 -0.37 0.00 5.08 -1.81 -2.07 115.95 116.79 3mg5 h TRP 120 Ca -0.00 0.00 -0.15 0.00 1.08 0.00 0.00 58.89 59.82 3mg5 h TRP 120 Cb 0.10 0.00 -0.09 0.00 -3.00 0.00 0.00 29.16 26.17 3mg5 h TRP 120 CO 0.00 0.00 0.00 0.36 -1.28 0.00 0.00 178.44 177.52 3mg5 n LYS 121 N -4.01 2.23 0.20 0.12 2.85 -0.54 -4.69 118.16 114.32 3mg5 n LYS 121 Ca -0.01 -3.06 0.07 0.00 -1.05 0.00 0.00 58.31 54.26 3mg5 n LYS 121 Cb 0.17 -1.85 0.40 0.00 -0.65 0.00 0.00 35.03 33.09 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 -3.25 -5.58 4.64 -1.41 -3.46 113.55 105.76 3mg5 h SER 122 Ca 0.18 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.91 3mg5 h SER 122 Cb 1.68 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 63.41 3mg5 h SER 122 CO 0.39 0.32 -0.82 -0.89 -0.87 0.00 0.00 176.83 174.96 3mg5 s THR 123 N -3.69 1.46 0.20 2.95 2.01 -1.26 -0.76 115.64 116.55 3mg5 s THR 123 Ca -0.00 -0.71 -0.10 0.00 0.31 0.00 0.00 61.69 61.19 3mg5 s THR 123 Cb 0.11 -1.47 -0.07 0.00 0.01 0.00 0.00 72.50 71.08 3mg5 s THR 123 CO 0.67 0.31 0.53 -0.76 -0.69 0.00 0.00 174.62 174.68 3mg5 s LEU 124 N 1.51 4.22 0.01 4.42 1.43 -0.13 -4.92 118.68 125.22 3mg5 s LEU 124 Ca 0.02 0.93 0.05 0.00 -1.03 0.00 0.00 54.13 54.10 3mg5 s LEU 124 Cb -0.14 -3.53 -0.02 0.00 0.03 0.00 0.00 46.19 42.53 3mg5 s LEU 124 CO -0.09 -0.01 -0.16 0.54 0.23 0.00 0.00 176.35 176.85 3mg5 s VAL 125 N -1.71 1.31 0.00 -1.59 0.11 -1.26 -0.69 120.40 116.57 3mg5 s VAL 125 Ca 0.44 -0.89 0.00 0.00 -2.93 0.00 0.00 61.98 58.60 3mg5 s VAL 125 Cb -0.12 -1.12 0.00 0.00 -1.53 0.00 0.00 36.38 33.60 3mg5 s VAL 125 CO 0.21 0.22 0.00 0.61 -3.33 0.00 0.00 175.10 172.81 3mg5 n GLY 126 N 2.28 2.10 2.91 6.54 0.00 -0.84 -5.00 105.19 113.18 3mg5 n GLY 126 Ca -0.16 -0.87 -0.13 0.00 0.00 0.00 0.00 46.02 44.85 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 -5.76 -0.11 -0.02 1.61 -3.43 -1.26 -0.60 115.29 105.73 3mg5 s HIS 127 Ca 0.00 0.34 0.06 0.00 -0.80 0.00 0.00 55.06 54.65 3mg5 s HIS 127 Cb 0.00 -0.07 -0.01 0.00 -1.43 0.00 0.00 32.58 31.06 3mg5 s HIS 127 CO 0.00 -0.11 -0.19 -0.51 -2.00 0.00 0.00 174.74 171.93 3mg5 s ASP 128 N 0.78 2.22 -0.14 7.38 1.01 -0.86 -4.99 116.67 122.06 3mg5 s ASP 128 Ca -0.06 -0.34 0.00 0.00 0.71 0.00 0.00 52.55 52.86 3mg5 s ASP 128 Cb -0.08 -0.29 -0.01 0.00 1.01 0.00 0.00 42.92 43.55 3mg5 s ASP 128 CO -0.03 0.22 -0.15 -0.89 0.21 0.00 0.00 175.17 174.53 3mg5 s THR 129 N -0.39 2.81 -0.09 -1.27 2.01 -1.26 -1.22 115.64 116.24 3mg5 s THR 129 Ca 0.06 -0.73 0.01 0.00 0.31 0.00 0.00 61.69 61.34 3mg5 s THR 129 Cb -0.08 -2.18 -0.02 0.00 0.01 0.00 0.00 72.50 70.23 3mg5 s THR 129 CO -0.00 0.52 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.56 3mg5 s LEU 130 N 0.59 2.79 0.22 4.42 1.02 -0.00 -2.97 118.68 124.76 3mg5 s LEU 130 Ca -0.09 -0.23 0.04 0.00 0.02 0.00 0.00 54.13 53.88 3mg5 s LEU 130 Cb -0.16 -1.60 -0.05 0.00 0.02 0.00 0.00 46.19 44.40 3mg5 s LEU 130 CO 0.03 0.26 -0.04 0.42 0.02 0.00 0.00 176.35 177.05 3mg5 s THR 131 N -0.24 1.19 -0.44 5.49 -4.23 -0.09 -1.20 115.64 116.13 3mg5 s THR 131 Ca 0.01 -2.06 0.24 0.00 -1.18 0.00 0.00 61.69 58.70 3mg5 s THR 131 Cb -0.13 -2.24 0.34 0.00 1.34 0.00 0.00 72.50 71.81 3mg5 s THR 131 CO 0.03 -0.42 1.64 0.11 -0.54 0.00 0.00 174.62 175.44 3mg5 h LYS 132 N 2.51 0.00 -6.48 3.99 1.79 -1.85 -0.87 116.57 115.67 3mg5 h LYS 132 Ca -0.38 0.00 -0.70 0.00 -2.18 0.00 0.00 60.65 57.39 3mg5 h LYS 132 Cb 1.22 0.00 -0.28 0.00 -1.58 0.00 0.00 32.23 31.59 3mg5 h LYS 132 CO 0.65 0.00 -0.85 0.54 -1.08 0.00 0.00 179.45 178.70 3mg5 s VAL 133 N -3.22 2.37 -2.44 0.50 0.11 -1.26 -4.84 120.40 111.62 3mg5 s VAL 133 Ca 0.07 -0.99 0.28 0.00 -2.93 0.00 0.00 61.98 58.42 3mg5 s VAL 133 Cb 0.06 -1.86 0.59 0.00 -1.53 0.00 0.00 36.38 33.64 3mg5 s VAL 133 CO 0.66 0.58 1.80 2.29 -3.33 0.00 0.00 175.10 177.10