#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1swe h ILE 17 N 0.00 0.71 -3.26 -0.61 2.04 -1.98 -3.47 117.51 110.95 1swe h ILE 17 Ca 0.00 -2.04 -0.53 0.00 1.00 0.00 0.00 64.86 63.30 1swe h ILE 17 Cb 0.00 2.31 0.06 0.00 -0.74 0.00 0.00 36.82 38.45 1swe h ILE 17 CO 0.00 0.41 0.81 -0.89 0.00 0.00 0.00 178.15 178.47 1swe s THR 18 N -2.99 2.54 -2.26 -0.27 2.01 -1.26 -4.81 115.64 108.59 1swe s THR 18 Ca 0.03 0.44 0.00 0.00 0.31 0.00 0.00 61.69 62.47 1swe s THR 18 Cb 0.07 -3.28 0.00 0.00 0.01 0.00 0.00 72.50 69.31 1swe s THR 18 CO 0.75 0.06 0.00 0.61 -0.69 0.00 0.00 174.62 175.35 1swe n GLY 19 N 2.51 0.57 3.63 4.40 0.00 0.17 -5.00 105.19 111.47 1swe n GLY 19 Ca 0.08 -1.94 -0.35 0.00 0.00 0.00 0.00 46.02 43.81 1swe n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swe s THR 20 N -1.65 4.93 0.05 2.61 2.01 -1.26 -1.30 115.64 121.03 1swe s THR 20 Ca 0.00 0.02 0.02 0.00 0.31 0.00 0.00 61.69 62.04 1swe s THR 20 Cb 0.00 -3.25 -0.03 0.00 0.01 0.00 0.00 72.50 69.23 1swe s THR 20 CO 0.00 0.42 -0.07 0.26 -0.69 0.00 0.00 174.62 174.54 1swe s TRP 21 N 0.67 0.66 0.01 4.92 0.52 0.90 -4.71 118.94 121.90 1swe s TRP 21 Ca 0.05 -0.60 0.04 0.00 0.02 0.00 0.00 56.10 55.60 1swe s TRP 21 Cb -0.13 -0.40 -0.01 0.00 -1.15 0.00 0.00 33.47 31.78 1swe s TRP 21 CO 0.01 -0.12 -0.11 0.71 0.02 0.00 0.00 176.95 177.46 1swe s TYR 22 N -1.91 0.98 0.41 -1.98 2.02 -0.68 -0.25 117.35 115.94 1swe s TYR 22 Ca -0.06 -0.26 0.04 0.00 -0.37 0.00 0.00 57.07 56.42 1swe s TYR 22 Cb -0.06 -0.61 0.04 0.00 -0.40 0.00 0.00 41.96 40.93 1swe s TYR 22 CO -0.01 -0.01 0.33 0.27 -1.57 0.00 0.00 175.55 174.57 1swe n ASN 23 N 2.41 2.24 0.00 2.29 0.23 -0.81 -1.12 115.26 120.50 1swe n ASN 23 Ca -0.16 -2.38 0.01 0.00 -0.53 0.00 0.00 54.58 51.52 1swe n ASN 23 Cb 0.56 -0.06 0.04 0.00 -2.08 0.00 0.00 39.78 38.24 1swe n ASN 23 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1swe n GLN 24 N -1.50 0.00 0.00 -3.83 0.00 -1.23 -0.81 117.38 110.01 1swe n GLN 24 Ca -0.00 0.45 0.11 0.00 0.00 0.00 0.00 57.00 57.55 1swe n GLN 24 Cb 0.46 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.21 1swe n GLN 24 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1swe n LEU 25 N -1.48 2.08 0.00 2.61 4.77 -1.26 -4.97 117.00 118.75 1swe n LEU 25 Ca 0.01 -0.78 0.00 0.00 -0.03 0.00 0.00 56.01 55.20 1swe n LEU 25 Cb 0.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1swe n LEU 25 CO 0.02 0.38 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 1swe n GLY 26 N 1.38 0.74 3.83 -0.72 0.00 0.01 -4.58 105.19 105.85 1swe n GLY 26 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 1swe n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swe s SER 27 N -2.19 6.84 -0.18 1.61 0.01 -1.26 -4.54 113.70 114.00 1swe s SER 27 Ca 0.00 1.66 -0.00 0.00 1.31 0.00 0.00 55.95 58.91 1swe s SER 27 Cb 0.00 -2.53 0.01 0.00 0.21 0.00 0.00 66.02 63.71 1swe s SER 27 CO 0.00 -0.43 -0.15 -0.89 0.41 0.00 0.00 173.24 172.18 1swe s THR 28 N -2.31 2.54 -0.24 1.44 2.01 0.21 -1.92 115.64 117.37 1swe s THR 28 Ca 0.61 -0.79 -0.02 0.00 0.31 0.00 0.00 61.69 61.81 1swe s THR 28 Cb -0.09 -2.09 0.02 0.00 0.01 0.00 0.00 72.50 70.35 1swe s THR 28 CO 0.18 0.50 -0.07 0.12 -0.69 0.00 0.00 174.62 174.67 1swe s PHE 29 N 1.20 3.03 -0.27 4.92 5.36 0.65 -0.39 117.98 132.48 1swe s PHE 29 Ca 0.02 -1.48 0.02 0.00 -0.96 0.00 0.00 56.93 54.53 1swe s PHE 29 Cb -0.14 -2.06 0.06 0.00 -0.34 0.00 0.00 43.02 40.54 1swe s PHE 29 CO -0.07 -0.71 -0.09 0.42 -1.46 0.00 0.00 175.22 173.31 1swe s ILE 30 N 1.34 2.32 0.01 3.12 1.01 0.84 -0.07 121.20 129.77 1swe s ILE 30 Ca 0.01 -1.58 -0.00 0.00 0.00 0.00 0.00 60.65 59.08 1swe s ILE 30 Cb -0.16 -2.35 -0.01 0.00 0.01 0.00 0.00 42.46 39.95 1swe s ILE 30 CO -0.05 -0.03 -0.01 0.54 0.00 0.00 0.00 174.94 175.39 1swe s VAL 31 N 1.13 0.06 -0.04 2.92 0.11 -0.42 0.11 120.40 124.28 1swe s VAL 31 Ca -0.08 -0.53 0.06 0.00 -2.93 0.00 0.00 61.98 58.49 1swe s VAL 31 Cb -0.20 -0.16 -0.01 0.00 -1.53 0.00 0.00 36.38 34.48 1swe s VAL 31 CO -0.04 -0.29 -0.20 0.28 -3.33 0.00 0.00 175.10 171.51 1swe s THR 32 N -0.86 1.66 -0.31 5.04 -1.32 0.14 0.44 115.64 120.42 1swe s THR 32 Ca -0.09 -0.87 -0.12 0.00 -1.21 0.00 0.00 61.69 59.40 1swe s THR 32 Cb -0.06 -1.40 -0.03 0.00 -1.51 0.00 0.00 72.50 69.50 1swe s THR 32 CO -0.01 0.47 0.21 0.00 -2.21 0.00 0.00 174.62 173.08 1swe s ALA 33 N -0.22 3.49 0.73 11.08 0.00 -1.26 -1.46 121.76 134.11 1swe s ALA 33 Ca 0.01 -1.26 -0.11 0.00 0.00 0.00 0.00 51.96 50.59 1swe s ALA 33 Cb -0.11 -2.56 0.03 0.00 0.00 0.00 0.00 23.12 20.48 1swe s ALA 33 CO 0.01 -0.79 1.09 0.20 0.00 0.00 0.00 175.76 176.26 1swe s GLY 34 N 1.73 1.63 0.04 0.00 0.00 0.49 -4.95 107.32 106.27 1swe s GLY 34 Ca 0.06 -0.22 0.26 0.00 0.00 0.00 0.00 44.72 44.82 1swe s GLY 34 CO 0.10 0.15 1.82 0.00 0.00 0.00 0.00 173.10 175.17 1swe n ALA 35 N -3.13 2.18 0.68 3.20 0.00 -1.26 -2.37 120.51 119.81 1swe n ALA 35 Ca 0.07 -0.07 0.06 0.00 0.00 0.00 0.00 53.44 53.49 1swe n ALA 35 Cb 0.56 -1.43 0.17 0.00 0.00 0.00 0.00 19.45 18.76 1swe n ALA 35 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1swe n ASP 36 N -1.64 2.23 0.00 0.00 5.68 -1.26 -4.85 116.55 116.71 1swe n ASP 36 Ca 0.06 -2.08 0.00 0.00 -0.50 0.00 0.00 54.79 52.27 1swe n ASP 36 Cb 0.32 -0.31 0.00 0.00 -1.14 0.00 0.00 41.12 39.99 1swe n ASP 36 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1swe n GLY 37 N 0.95 0.55 3.80 6.12 0.00 -1.00 -5.00 105.19 110.62 1swe n GLY 37 Ca 0.13 -0.16 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 1swe n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swe s ALA 38 N -2.00 3.30 -0.13 4.61 0.00 -1.25 -2.49 121.76 123.81 1swe s ALA 38 Ca 0.00 0.35 0.02 0.00 0.00 0.00 0.00 51.96 52.33 1swe s ALA 38 Cb 0.00 -3.01 0.01 0.00 0.00 0.00 0.00 23.12 20.12 1swe s ALA 38 CO 0.00 0.25 -0.18 -1.17 0.00 0.00 0.00 175.76 174.65 1swe s LEU 39 N -2.04 1.91 -0.00 0.00 2.96 -0.77 0.19 118.68 120.93 1swe s LEU 39 Ca 0.47 -0.52 -0.07 0.00 -0.22 0.00 0.00 54.13 53.79 1swe s LEU 39 Cb -0.17 -1.27 0.00 0.00 0.50 0.00 0.00 46.19 45.25 1swe s LEU 39 CO 0.22 0.04 0.14 0.42 -1.32 0.00 0.00 176.35 175.86 1swe s THR 40 N 0.94 0.08 -4.55 3.68 -4.23 -0.54 -2.14 115.64 108.89 1swe s THR 40 Ca -0.06 -0.65 0.00 0.00 -1.18 0.00 0.00 61.69 59.80 1swe s THR 40 Cb -0.15 -0.43 0.00 0.00 1.34 0.00 0.00 72.50 73.26 1swe s THR 40 CO -0.03 -0.36 0.00 0.61 -0.54 0.00 0.00 174.62 174.31 1swe n GLY 41 N 1.52 -0.52 3.19 3.99 0.00 -1.13 0.25 105.19 112.49 1swe n GLY 41 Ca -0.22 -0.76 -0.23 0.00 0.00 0.00 0.00 46.02 44.81 1swe n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swe s THR 42 N -3.92 1.37 -0.02 2.61 2.01 0.30 -2.21 115.64 115.79 1swe s THR 42 Ca 0.00 -1.00 0.04 0.00 0.31 0.00 0.00 61.69 61.04 1swe s THR 42 Cb 0.00 -1.20 -0.01 0.00 0.01 0.00 0.00 72.50 71.31 1swe s THR 42 CO 0.00 0.18 -0.13 -0.47 -0.69 0.00 0.00 174.62 173.51 1swe s TYR 43 N -0.70 1.17 -0.16 4.92 6.14 -0.36 -0.11 117.35 128.24 1swe s TYR 43 Ca 0.05 -0.24 -0.02 0.00 0.64 0.00 0.00 57.07 57.50 1swe s TYR 43 Cb -0.08 -0.77 0.05 0.00 0.42 0.00 0.00 41.96 41.58 1swe s TYR 43 CO 0.01 -0.04 0.00 -2.00 0.64 0.00 0.00 175.55 174.16 1swe s GLU 44 N -0.20 0.90 0.04 4.97 2.12 0.47 -1.01 118.70 126.00 1swe s GLU 44 Ca 0.03 -0.37 -0.22 0.00 0.36 0.00 0.00 54.97 54.77 1swe s GLU 44 Cb -0.06 -1.88 -0.06 0.00 0.26 0.00 0.00 34.13 32.40 1swe s GLU 44 CO -0.00 -0.51 0.66 0.45 -0.54 0.00 0.00 175.26 175.32 1swe s SER 45 N 1.80 7.10 0.12 -1.70 0.15 -1.26 -0.61 113.70 119.29 1swe s SER 45 Ca 0.00 1.31 0.26 0.00 0.70 0.00 0.00 55.95 58.23 1swe s SER 45 Cb -0.16 -2.41 0.77 0.00 -1.71 0.00 0.00 66.02 62.51 1swe s SER 45 CO -0.07 0.11 1.67 0.00 1.20 0.00 0.00 173.24 176.15 1swe n ALA 46 N 2.49 2.57 -2.24 5.45 0.00 -1.26 -4.85 120.51 122.68 1swe n ALA 46 Ca -0.06 -0.13 -0.13 0.00 0.00 0.00 0.00 53.44 53.12 1swe n ALA 46 Cb 0.50 -1.36 -0.10 0.00 0.00 0.00 0.00 19.45 18.49 1swe n ALA 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1swe s VAL 47 N -3.08 0.30 0.00 0.00 -7.23 -1.26 -5.01 120.40 104.12 1swe s VAL 47 Ca 0.10 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.29 1swe s VAL 47 Cb 0.15 -2.42 0.00 0.00 0.56 0.00 0.00 36.38 34.67 1swe s VAL 47 CO 0.62 -0.15 0.00 0.61 -0.31 0.00 0.00 175.10 175.88 1swe n GLY 48 N -0.30 -2.90 3.38 2.32 0.00 -1.26 -4.59 105.19 101.83 1swe n GLY 48 Ca -0.01 -1.73 -0.43 0.00 0.00 0.00 0.00 46.02 43.85 1swe n GLY 48 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1swe n ASN 49 N -0.51 4.81 -3.53 1.61 5.15 -1.26 -4.84 115.26 116.68 1swe n ASN 49 Ca 0.00 -2.93 -0.18 0.00 -0.60 0.00 0.00 54.58 50.88 1swe n ASN 49 Cb 0.00 -1.69 -0.06 0.00 -0.53 0.00 0.00 39.78 37.50 1swe n ASN 49 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1swe s ALA 50 N 3.42 -1.70 -0.25 5.20 0.00 -1.26 -4.66 121.76 122.50 1swe s ALA 50 Ca 0.50 1.25 -0.20 0.00 0.00 0.00 0.00 51.96 53.51 1swe s ALA 50 Cb 0.05 0.01 0.07 0.00 0.00 0.00 0.00 23.12 23.25 1swe s ALA 50 CO 0.03 -0.37 0.66 -2.00 0.00 0.00 0.00 175.76 174.09 1swe s GLU 51 N -1.22 0.74 3.05 0.00 2.12 -1.26 -4.95 118.70 117.18 1swe s GLU 51 Ca -0.11 1.00 0.00 0.00 0.36 0.00 0.00 54.97 56.22 1swe s GLU 51 Cb -0.00 0.29 0.00 0.00 0.26 0.00 0.00 34.13 34.68 1swe s GLU 51 CO 0.09 -0.11 0.00 0.45 -0.54 0.00 0.00 175.26 175.15 1swe n SER 52 N 3.23 -0.84 -4.93 -1.70 2.88 -1.26 -4.82 113.62 106.19 1swe n SER 52 Ca -0.16 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.11 1swe n SER 52 Cb 0.56 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.99 1swe n SER 52 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1swe s ARG 53 N 0.00 3.40 0.05 -1.46 0.52 -1.26 -4.51 118.95 115.68 1swe s ARG 53 Ca 0.00 -0.60 0.06 0.00 -0.52 0.00 0.00 55.73 54.67 1swe s ARG 53 Cb 0.00 -2.95 -0.02 0.00 0.52 0.00 0.00 34.95 32.50 1swe s ARG 53 CO 0.00 0.53 -0.16 0.71 0.02 0.00 0.00 175.30 176.40 1swe s TYR 54 N -1.71 1.39 0.11 -0.53 1.51 -0.18 -4.86 117.35 113.08 1swe s TYR 54 Ca 0.34 -0.38 -0.30 0.00 -1.01 0.00 0.00 57.07 55.72 1swe s TYR 54 Cb -0.11 -0.81 -0.07 0.00 -0.11 0.00 0.00 41.96 40.86 1swe s TYR 54 CO 0.28 0.07 1.21 0.08 -1.11 0.00 0.00 175.55 176.07 1swe s VAL 55 N -0.93 3.82 0.20 0.71 1.01 -1.26 -1.22 120.40 122.73 1swe s VAL 55 Ca 0.03 1.39 0.10 0.00 0.00 0.00 0.00 61.98 63.50 1swe s VAL 55 Cb -0.09 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 1swe s VAL 55 CO 0.02 0.15 -0.16 -1.48 0.00 0.00 0.00 175.10 173.64 1swe s LEU 56 N 0.55 2.74 -0.07 3.92 0.05 -0.94 -4.35 118.68 120.58 1swe s LEU 56 Ca 0.57 -0.74 -0.24 0.00 0.05 0.00 0.00 54.13 53.77 1swe s LEU 56 Cb -0.31 -1.42 0.05 0.00 -2.05 0.00 0.00 46.19 42.46 1swe s LEU 56 CO 0.32 0.10 0.55 0.28 -0.55 0.00 0.00 176.35 177.05 1swe s THR 57 N -1.81 0.02 0.00 5.48 -1.32 -0.73 -2.83 115.64 114.45 1swe s THR 57 Ca 0.24 -0.14 0.00 0.00 -1.21 0.00 0.00 61.69 60.58 1swe s THR 57 Cb -0.08 -0.85 0.00 0.00 -1.51 0.00 0.00 72.50 70.06 1swe s THR 57 CO 0.13 -0.08 0.00 0.61 -2.21 0.00 0.00 174.62 173.08 1swe n GLY 58 N 1.37 1.59 3.14 6.08 0.00 -0.91 -1.21 105.19 115.24 1swe n GLY 58 Ca -0.19 -0.81 -0.09 0.00 0.00 0.00 0.00 46.02 44.93 1swe n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1swe s ARG 59 N -0.67 0.66 0.04 1.61 1.81 0.14 -1.85 118.95 120.70 1swe s ARG 59 Ca 0.00 -0.83 -0.02 0.00 -1.72 0.00 0.00 55.73 53.16 1swe s ARG 59 Cb 0.00 0.26 -0.03 0.00 -0.45 0.00 0.00 34.95 34.73 1swe s ARG 59 CO 0.00 -0.18 -0.00 1.52 -0.68 0.00 0.00 175.30 175.96 1swe s TYR 60 N -3.02 0.36 -0.43 -0.53 1.13 -1.04 -1.50 117.35 112.32 1swe s TYR 60 Ca -0.02 -0.75 -0.28 0.00 -1.41 0.00 0.00 57.07 54.61 1swe s TYR 60 Cb 0.01 -0.26 -0.00 0.00 -1.10 0.00 0.00 41.96 40.60 1swe s TYR 60 CO -0.06 -0.31 1.62 0.34 -2.51 0.00 0.00 175.55 174.63 1swe s ASP 61 N -2.24 5.98 0.00 -0.18 2.15 -0.17 -4.58 116.67 117.63 1swe s ASP 61 Ca -0.04 0.86 0.30 0.00 0.43 0.00 0.00 52.55 54.10 1swe s ASP 61 Cb -0.00 -2.53 1.45 0.00 -0.30 0.00 0.00 42.92 41.53 1swe s ASP 61 CO -0.06 -1.71 1.98 -1.54 -0.17 0.00 0.00 175.17 173.67 1swe n SER 62 N 10.05 0.60 -3.13 -0.34 3.41 -1.26 -4.07 113.62 118.87 1swe n SER 62 Ca 0.19 -1.03 -0.21 0.00 -0.26 0.00 0.00 58.87 57.56 1swe n SER 62 Cb 0.48 -0.02 -0.04 0.00 -0.26 0.00 0.00 64.21 64.36 1swe n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1swe n ALA 63 N -0.62 1.87 -0.71 7.33 0.00 -1.26 -5.05 120.51 122.06 1swe n ALA 63 Ca 0.20 -3.15 -0.30 0.00 0.00 0.00 0.00 53.44 50.19 1swe n ALA 63 Cb 0.23 -0.90 0.26 0.00 0.00 0.00 0.00 19.45 19.04 1swe n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1swe s PRO 64 N -1.23 -1.75 0.29 0.00 0.04 -1.26 -4.96 135.00 126.14 1swe s PRO 64 Ca 0.35 0.22 -0.29 0.00 0.04 0.00 0.00 61.00 61.32 1swe s PRO 64 Cb 0.22 -1.51 -0.10 0.00 0.04 0.00 0.00 34.50 33.15 1swe s PRO 64 CO -0.11 -4.12 1.24 0.00 0.04 0.00 0.00 177.00 174.04 1swe s ALA 65 N -2.61 3.47 -1.91 8.56 0.00 -1.26 -4.92 121.76 123.09 1swe s ALA 65 Ca 0.69 1.12 0.09 0.00 0.00 0.00 0.00 51.96 53.86 1swe s ALA 65 Cb -0.15 -3.43 0.27 0.00 0.00 0.00 0.00 23.12 19.81 1swe s ALA 65 CO 0.59 -0.47 1.20 0.25 0.00 0.00 0.00 175.76 177.33 1swe n THR 66 N 1.21 0.44 1.88 0.00 -2.24 -1.26 -3.62 114.28 110.70 1swe n THR 66 Ca 0.01 -0.41 0.14 0.00 -2.27 0.00 0.00 64.05 61.52 1swe n THR 66 Cb 0.43 0.16 0.76 0.00 -2.10 0.00 0.00 70.33 69.57 1swe n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1swe n ASP 67 N 0.36 0.31 0.00 3.42 5.68 -1.26 -4.85 116.55 120.21 1swe n ASP 67 Ca 0.10 -1.22 0.00 0.00 -0.50 0.00 0.00 54.79 53.17 1swe n ASP 67 Cb 0.28 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.25 1swe n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1swe n GLY 68 N 0.98 0.77 3.64 6.12 0.00 -1.24 -5.06 105.19 110.40 1swe n GLY 68 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.92 1swe n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swe s SER 69 N -2.38 2.57 0.89 1.61 0.01 -1.26 -5.01 113.70 110.15 1swe s SER 69 Ca 0.00 2.09 -0.14 0.00 1.31 0.00 0.00 55.95 59.21 1swe s SER 69 Cb 0.00 -2.53 0.14 0.00 0.21 0.00 0.00 66.02 63.84 1swe s SER 69 CO 0.00 -3.31 1.24 -0.83 0.41 0.00 0.00 173.24 170.76 1swe s GLY 70 N -2.63 1.68 -0.35 3.44 0.00 -1.26 -4.80 107.32 103.39 1swe s GLY 70 Ca 0.67 -0.90 -0.13 0.00 0.00 0.00 0.00 44.72 44.35 1swe s GLY 70 CO 0.59 -0.27 0.26 -1.59 0.00 0.00 0.00 173.10 172.09 1swe s THR 71 N -3.70 5.27 0.22 0.90 2.01 0.84 -4.77 115.64 116.41 1swe s THR 71 Ca 0.68 -0.22 -0.30 0.00 0.31 0.00 0.00 61.69 62.16 1swe s THR 71 Cb -0.08 -3.75 -0.09 0.00 0.01 0.00 0.00 72.50 68.59 1swe s THR 71 CO 0.51 -0.05 1.36 0.00 -0.69 0.00 0.00 174.62 175.75 1swe s ALA 72 N 1.76 3.57 0.27 7.40 0.00 -1.26 -0.53 121.76 132.97 1swe s ALA 72 Ca 0.07 1.20 -0.14 0.00 0.00 0.00 0.00 51.96 53.09 1swe s ALA 72 Cb -0.17 -3.51 0.01 0.00 0.00 0.00 0.00 23.12 19.44 1swe s ALA 72 CO 0.11 -0.62 0.55 -0.48 0.00 0.00 0.00 175.76 175.32 1swe s LEU 73 N -0.24 0.22 -0.12 0.00 -0.00 0.14 -1.00 118.68 117.68 1swe s LEU 73 Ca 0.58 -0.92 -0.30 0.00 -0.00 0.00 0.00 54.13 53.49 1swe s LEU 73 Cb -0.39 2.03 0.11 0.00 -0.00 0.00 0.00 46.19 47.94 1swe s LEU 73 CO 0.40 -1.24 0.89 -0.83 -0.00 0.00 0.00 176.35 175.58 1swe s GLY 74 N -3.02 -0.38 0.15 -3.48 0.00 -0.56 0.68 107.32 100.71 1swe s GLY 74 Ca 0.20 1.78 -0.07 0.00 0.00 0.00 0.00 44.72 46.63 1swe s GLY 74 CO 0.10 1.00 0.22 0.66 0.00 0.00 0.00 173.10 175.07 1swe s TRP 75 N -1.15 0.48 -0.02 1.90 -2.14 -0.49 0.26 118.94 117.78 1swe s TRP 75 Ca -0.05 -0.86 0.04 0.00 2.66 0.00 0.00 56.10 57.89 1swe s TRP 75 Cb -0.00 -0.16 -0.00 0.00 -3.10 0.00 0.00 33.47 30.20 1swe s TRP 75 CO 0.04 -0.65 -0.13 0.99 -2.66 0.00 0.00 176.95 174.54 1swe s THR 76 N -3.97 1.09 -0.11 0.66 2.01 -0.35 -0.04 115.64 114.92 1swe s THR 76 Ca 0.17 -0.55 0.01 0.00 0.31 0.00 0.00 61.69 61.63 1swe s THR 76 Cb 0.04 -0.93 0.02 0.00 0.01 0.00 0.00 72.50 71.64 1swe s THR 76 CO -0.01 0.32 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.41 1swe s VAL 77 N -0.07 1.40 -0.15 3.82 1.01 -0.91 -1.77 120.40 123.74 1swe s VAL 77 Ca 0.00 -0.58 -0.16 0.00 0.00 0.00 0.00 61.98 61.25 1swe s VAL 77 Cb -0.08 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 1swe s VAL 77 CO 0.00 0.42 0.37 0.00 0.00 0.00 0.00 175.10 175.90 1swe s ALA 78 N 1.09 3.54 -1.35 5.51 0.00 -1.26 -0.79 121.76 128.50 1swe s ALA 78 Ca -0.05 -0.36 -0.07 0.00 0.00 0.00 0.00 51.96 51.48 1swe s ALA 78 Cb -0.14 -2.51 0.10 0.00 0.00 0.00 0.00 23.12 20.57 1swe s ALA 78 CO -0.03 0.02 2.33 0.91 0.00 0.00 0.00 175.76 178.99 1swe n TRP 79 N 3.69 2.68 -3.92 0.00 7.02 0.37 -4.80 117.44 122.49 1swe n TRP 79 Ca -0.10 -2.85 -0.17 0.00 -1.02 0.00 0.00 57.50 53.36 1swe n TRP 79 Cb 0.52 -1.96 -0.16 0.00 -2.42 0.00 0.00 31.31 27.28 1swe n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1swe s LYS 80 N -0.26 0.30 0.00 -0.99 2.20 -1.26 -0.74 119.74 118.99 1swe s LYS 80 Ca 0.52 0.08 0.00 0.00 -0.36 0.00 0.00 55.97 56.21 1swe s LYS 80 Cb 0.16 -0.49 0.00 0.00 -1.51 0.00 0.00 37.83 35.99 1swe s LYS 80 CO -0.07 -0.14 0.00 0.27 -0.36 0.00 0.00 175.35 175.05 1swe n ASN 81 N 4.17 0.00 -0.02 1.43 0.23 0.11 -4.82 115.26 116.36 1swe n ASN 81 Ca -0.26 0.00 0.14 0.00 -0.53 0.00 0.00 54.58 53.93 1swe n ASN 81 Cb 0.50 0.00 0.59 0.00 -2.08 0.00 0.00 39.78 38.79 1swe n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1swe n ASN 82 N 0.00 0.18 -0.11 0.53 5.03 -1.26 -3.84 115.26 115.78 1swe n ASN 82 Ca 0.00 0.03 -0.24 0.00 0.87 0.00 0.00 54.58 55.24 1swe n ASN 82 Cb 0.00 -0.25 -0.11 0.00 -1.02 0.00 0.00 39.78 38.40 1swe n ASN 82 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1swe n TYR 83 N -1.34 0.76 -4.07 3.10 4.01 -1.26 -5.05 117.16 113.30 1swe n TYR 83 Ca 0.10 0.31 -0.10 0.00 -0.16 0.00 0.00 57.90 58.05 1swe n TYR 83 Cb 0.31 -1.08 -0.07 0.00 -0.31 0.00 0.00 39.34 38.19 1swe n TYR 83 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1swe s ARG 84 N -2.42 1.41 -0.10 -0.72 1.70 -1.25 -5.12 118.95 112.46 1swe s ARG 84 Ca -0.31 -1.39 -0.03 0.00 -0.47 0.00 0.00 55.73 53.53 1swe s ARG 84 Cb 0.08 0.39 0.04 0.00 -0.57 0.00 0.00 34.95 34.90 1swe s ARG 84 CO 0.58 -0.55 0.06 1.21 -1.08 0.00 0.00 175.30 175.53 1swe s ASN 85 N -3.07 1.76 0.00 -2.89 3.84 -1.26 0.09 114.94 113.42 1swe s ASN 85 Ca 0.29 -0.26 0.24 0.00 0.21 0.00 0.00 52.86 53.33 1swe s ASN 85 Cb 0.02 -0.24 0.34 0.00 -0.55 0.00 0.00 41.25 40.83 1swe s ASN 85 CO 0.10 -0.29 1.30 0.00 -2.79 0.00 0.00 177.10 175.43 1swe n ALA 86 N 5.26 3.42 -3.72 1.71 0.00 0.08 -4.95 120.51 122.31 1swe n ALA 86 Ca -0.05 -0.52 -0.25 0.00 0.00 0.00 0.00 53.44 52.62 1swe n ALA 86 Cb 0.49 -0.96 0.05 0.00 0.00 0.00 0.00 19.45 19.04 1swe n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1swe n HIS 87 N -0.44 -2.35 -4.14 0.00 8.25 -1.26 -4.89 115.22 110.38 1swe n HIS 87 Ca 0.10 0.93 -0.11 0.00 -0.26 0.00 0.00 57.72 58.38 1swe n HIS 87 Cb 0.40 -4.51 -0.09 0.00 1.12 0.00 0.00 29.99 26.91 1swe n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1swe s SER 88 N -3.70 0.16 -0.07 0.41 1.04 -1.26 -2.12 113.70 108.16 1swe s SER 88 Ca 0.40 -1.24 -0.04 0.00 0.48 0.00 0.00 55.95 55.55 1swe s SER 88 Cb -0.19 0.38 0.03 0.00 0.10 0.00 0.00 66.02 66.34 1swe s SER 88 CO 0.79 -0.84 0.16 0.00 0.98 0.00 0.00 173.24 174.32 1swe s ALA 89 N -4.10 -0.34 0.02 5.32 0.00 -0.82 -0.48 121.76 121.38 1swe s ALA 89 Ca 0.31 0.61 0.04 0.00 0.00 0.00 0.00 51.96 52.92 1swe s ALA 89 Cb 0.06 -0.39 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 1swe s ALA 89 CO 0.08 -0.13 -0.07 0.99 0.00 0.00 0.00 175.76 176.63 1swe s THR 90 N 0.75 3.60 -0.06 0.00 2.01 0.03 -1.38 115.64 120.60 1swe s THR 90 Ca -0.06 -0.87 0.06 0.00 0.31 0.00 0.00 61.69 61.13 1swe s THR 90 Cb -0.07 -2.59 -0.01 0.00 0.01 0.00 0.00 72.50 69.84 1swe s THR 90 CO -0.04 0.33 -0.23 0.42 -0.69 0.00 0.00 174.62 174.41 1swe s THR 91 N -1.05 1.91 -0.14 -0.82 -4.23 0.82 -2.13 115.64 110.01 1swe s THR 91 Ca 0.18 -0.99 -0.03 0.00 -1.18 0.00 0.00 61.69 59.68 1swe s THR 91 Cb -0.11 -1.62 -0.03 0.00 1.34 0.00 0.00 72.50 72.08 1swe s THR 91 CO 0.09 0.53 -0.04 0.26 -0.54 0.00 0.00 174.62 174.93 1swe s TRP 92 N -0.10 3.03 -0.09 3.99 0.51 0.94 -1.54 118.94 125.67 1swe s TRP 92 Ca -0.04 -0.21 0.02 0.00 -2.12 0.00 0.00 56.10 53.75 1swe s TRP 92 Cb -0.13 -1.91 0.01 0.00 -0.81 0.00 0.00 33.47 30.63 1swe s TRP 92 CO 0.04 0.06 -0.13 0.45 -0.51 0.00 0.00 176.95 176.86 1swe s SER 93 N 0.08 2.12 0.00 2.95 0.15 -0.59 -1.40 113.70 117.01 1swe s SER 93 Ca -0.00 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.29 1swe s SER 93 Cb -0.13 -0.94 0.00 0.00 -1.71 0.00 0.00 66.02 63.23 1swe s SER 93 CO 0.03 0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.09 1swe n GLY 94 N 4.10 0.81 3.02 9.45 0.00 0.21 -1.61 105.19 121.18 1swe n GLY 94 Ca -0.20 -0.70 -0.19 0.00 0.00 0.00 0.00 46.02 44.93 1swe n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1swe s GLN 95 N -0.26 0.74 0.07 1.61 -2.07 -1.04 0.25 119.66 118.98 1swe s GLN 95 Ca 0.00 -0.33 -0.24 0.00 -1.82 0.00 0.00 55.36 52.97 1swe s GLN 95 Cb 0.00 -0.72 -0.06 0.00 -1.09 0.00 0.00 33.01 31.14 1swe s GLN 95 CO 0.00 0.20 0.74 -0.47 -1.32 0.00 0.00 175.29 174.43 1swe s TYR 96 N -0.21 3.78 -0.21 9.60 5.04 0.31 -2.09 117.35 133.57 1swe s TYR 96 Ca 0.03 1.47 0.00 0.00 -2.44 0.00 0.00 57.07 56.14 1swe s TYR 96 Cb -0.04 -2.76 0.05 0.00 0.35 0.00 0.00 41.96 39.56 1swe s TYR 96 CO -0.00 0.37 -0.07 0.08 -1.34 0.00 0.00 175.55 174.58 1swe s VAL 97 N -0.42 1.46 0.00 3.14 1.01 -0.39 -0.11 120.40 125.08 1swe s VAL 97 Ca 0.36 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.33 1swe s VAL 97 Cb -0.21 -1.65 0.00 0.00 0.00 0.00 0.00 36.38 34.52 1swe s VAL 97 CO 0.23 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.98 1swe n GLY 98 N 4.73 -0.37 2.63 4.51 0.00 -1.26 -0.70 105.19 114.73 1swe n GLY 98 Ca -0.13 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.22 1swe n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1swe n GLY 99 N 5.00 -1.82 0.09 -0.02 0.00 -1.26 -4.31 105.19 102.87 1swe n GLY 99 Ca 0.00 -1.81 -0.14 0.00 0.00 0.00 0.00 46.02 44.07 1swe n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swe h ALA 100 N 0.00 0.08 -0.79 4.61 0.00 -2.05 -2.80 119.26 118.32 1swe h ALA 100 Ca 0.00 -0.33 -0.75 0.00 0.00 0.00 0.00 54.91 53.83 1swe h ALA 100 Cb 0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 17.79 17.64 1swe h ALA 100 CO 0.00 -0.04 2.20 -1.91 0.00 0.00 0.00 179.25 179.49 1swe n GLU 101 N -4.66 3.68 -2.04 0.00 2.13 -1.26 -4.97 120.64 113.52 1swe n GLU 101 Ca -0.08 -3.42 -0.40 0.00 0.66 0.00 0.00 57.16 53.92 1swe n GLU 101 Cb 0.36 -2.91 -0.01 0.00 0.27 0.00 0.00 31.44 29.15 1swe n GLU 101 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1swe s ALA 102 N 0.44 3.29 0.08 4.31 0.00 -1.06 -4.84 121.76 123.97 1swe s ALA 102 Ca 0.42 1.25 -0.02 0.00 0.00 0.00 0.00 51.96 53.61 1swe s ALA 102 Cb 0.11 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 1swe s ALA 102 CO -0.02 -0.83 0.03 1.03 0.00 0.00 0.00 175.76 175.98 1swe s ARG 103 N -2.21 0.73 -0.25 0.00 0.52 0.12 -4.36 118.95 113.50 1swe s ARG 103 Ca 0.56 -1.23 0.02 0.00 -0.52 0.00 0.00 55.73 54.57 1swe s ARG 103 Cb -0.39 0.24 0.06 0.00 0.52 0.00 0.00 34.95 35.38 1swe s ARG 103 CO 0.50 -0.18 -0.10 0.42 0.02 0.00 0.00 175.30 175.96 1swe s ILE 104 N -3.94 1.98 -0.31 1.52 1.01 0.04 -1.26 121.20 120.23 1swe s ILE 104 Ca 0.11 -1.47 -0.16 0.00 0.00 0.00 0.00 60.65 59.13 1swe s ILE 104 Cb 0.07 -2.11 -0.02 0.00 0.01 0.00 0.00 42.46 40.41 1swe s ILE 104 CO -0.07 -0.01 0.40 0.20 0.00 0.00 0.00 174.94 175.45 1swe s ASN 105 N 1.20 6.24 0.23 3.58 0.01 -0.89 -0.30 114.94 125.00 1swe s ASN 105 Ca -0.07 0.02 0.08 0.00 -0.71 0.00 0.00 52.86 52.18 1swe s ASN 105 Cb -0.19 -2.22 -0.05 0.00 0.41 0.00 0.00 41.25 39.20 1swe s ASN 105 CO -0.06 -0.30 -0.13 0.42 -1.51 0.00 0.00 177.10 175.52 1swe s THR 106 N 2.11 1.83 0.05 1.60 -4.23 0.13 -2.48 115.64 114.65 1swe s THR 106 Ca 0.14 -2.22 0.09 0.00 -1.18 0.00 0.00 61.69 58.52 1swe s THR 106 Cb -0.16 -2.18 -0.03 0.00 1.34 0.00 0.00 72.50 71.47 1swe s THR 106 CO 0.11 -0.50 -0.24 -1.10 -0.54 0.00 0.00 174.62 172.35 1swe s GLN 107 N -3.64 1.85 0.10 3.99 -0.21 -0.63 -2.21 119.66 118.91 1swe s GLN 107 Ca 0.25 -1.09 0.04 0.00 0.02 0.00 0.00 55.36 54.59 1swe s GLN 107 Cb -0.00 -2.03 -0.04 0.00 1.00 0.00 0.00 33.01 31.94 1swe s GLN 107 CO 0.09 0.52 -0.12 1.67 -2.12 0.00 0.00 175.29 175.33 1swe s TRP 108 N -0.85 1.18 -0.15 0.91 1.48 0.11 -1.54 118.94 120.08 1swe s TRP 108 Ca 0.13 -0.61 0.02 0.00 -1.06 0.00 0.00 56.10 54.58 1swe s TRP 108 Cb -0.10 -0.63 0.01 0.00 -1.16 0.00 0.00 33.47 31.58 1swe s TRP 108 CO 0.03 0.05 -0.20 -0.51 -4.06 0.00 0.00 176.95 172.26 1swe s LEU 109 N -2.39 2.20 -0.33 -4.66 1.43 -0.59 -1.87 118.68 112.46 1swe s LEU 109 Ca 0.06 -0.58 -0.01 0.00 -1.03 0.00 0.00 54.13 52.57 1swe s LEU 109 Cb -0.04 -1.48 0.07 0.00 0.03 0.00 0.00 46.19 44.77 1swe s LEU 109 CO 0.01 0.07 0.06 -0.22 0.23 0.00 0.00 176.35 176.50 1swe s LEU 110 N 0.89 4.38 -0.17 1.79 2.96 -0.11 -0.12 118.68 128.29 1swe s LEU 110 Ca -0.05 -1.61 -0.06 0.00 -0.22 0.00 0.00 54.13 52.19 1swe s LEU 110 Cb -0.15 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 1swe s LEU 110 CO -0.03 -0.35 0.05 -0.89 -1.32 0.00 0.00 176.35 173.80 1swe s THR 111 N 1.17 4.66 -0.05 3.68 2.01 -0.48 0.36 115.64 126.99 1swe s THR 111 Ca 0.01 -0.09 -0.03 0.00 0.31 0.00 0.00 61.69 61.89 1swe s THR 111 Cb -0.21 -3.08 -0.04 0.00 0.01 0.00 0.00 72.50 69.19 1swe s THR 111 CO -0.03 0.48 0.12 -0.44 -0.69 0.00 0.00 174.62 174.06 1swe s SER 112 N 0.23 6.04 0.06 3.53 0.01 -0.14 -1.95 113.70 121.47 1swe s SER 112 Ca 0.03 0.30 -0.31 0.00 1.31 0.00 0.00 55.95 57.27 1swe s SER 112 Cb -0.12 -1.85 -0.10 0.00 0.21 0.00 0.00 66.02 64.16 1swe s SER 112 CO 0.01 0.32 1.90 0.61 0.41 0.00 0.00 173.24 176.49 1swe n GLY 113 N 1.43 1.72 3.22 3.44 0.00 -0.90 -4.84 105.19 109.26 1swe n GLY 113 Ca -0.15 0.78 -0.13 0.00 0.00 0.00 0.00 46.02 46.53 1swe n GLY 113 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1swe s THR 114 N 3.66 0.89 0.64 2.61 -4.23 -1.26 -5.05 115.64 112.90 1swe s THR 114 Ca 0.87 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 59.27 1swe s THR 114 Cb -0.50 -1.84 -0.03 0.00 1.34 0.00 0.00 72.50 71.47 1swe s THR 114 CO 0.42 -0.74 1.04 0.42 -0.54 0.00 0.00 174.62 175.22 1swe s THR 115 N -3.51 4.47 0.51 3.99 -4.23 -1.26 -4.86 115.64 110.74 1swe s THR 115 Ca 0.16 0.81 0.21 0.00 -1.18 0.00 0.00 61.69 61.70 1swe s THR 115 Cb 0.04 -3.70 0.36 0.00 1.34 0.00 0.00 72.50 70.55 1swe s THR 115 CO -0.01 -1.03 2.01 -0.08 -0.54 0.00 0.00 174.62 174.97 1swe h GLU 116 N -0.41 0.10 0.00 3.99 4.57 -2.01 -0.95 114.58 119.87 1swe h GLU 116 Ca -0.44 -0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 57.67 1swe h GLU 116 Cb 1.20 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.76 1swe h GLU 116 CO 0.60 0.06 -0.31 0.00 -1.18 0.00 0.00 179.01 178.18 1swe h ALA 117 N 1.76 1.28 -0.50 2.92 0.00 -2.06 -2.98 119.26 119.68 1swe h ALA 117 Ca 0.23 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1swe h ALA 117 Cb 0.78 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1swe h ALA 117 CO -0.02 0.39 0.00 0.09 0.00 0.00 0.00 179.25 179.71 1swe n ASN 118 N -3.87 3.52 -0.12 0.00 3.02 -0.40 -4.57 115.26 112.85 1swe n ASN 118 Ca -0.01 -2.11 0.18 0.00 -0.03 0.00 0.00 54.58 52.60 1swe n ASN 118 Cb 0.39 -0.37 0.58 0.00 -0.61 0.00 0.00 39.78 39.77 1swe n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1swe h ALA 119 N 2.97 2.30 0.00 5.41 0.00 -1.29 -1.76 119.26 126.88 1swe h ALA 119 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1swe h ALA 119 Cb 0.94 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1swe h ALA 119 CO 0.04 -0.49 -0.03 0.11 0.00 0.00 0.00 179.25 178.87 1swe h TRP 120 N 0.25 0.00 -0.24 0.00 5.08 -1.82 -1.41 115.95 117.81 1swe h TRP 120 Ca 0.34 0.00 -0.13 0.00 1.08 0.00 0.00 58.89 60.18 1swe h TRP 120 Cb 0.98 0.00 -0.08 0.00 -3.00 0.00 0.00 29.16 27.06 1swe h TRP 120 CO -0.00 0.03 -0.24 0.36 -1.28 0.00 0.00 178.44 177.31 1swe n LYS 121 N -3.84 1.78 0.21 0.12 2.85 -0.67 -4.73 118.16 113.89 1swe n LYS 121 Ca -0.03 -3.26 0.10 0.00 -1.05 0.00 0.00 58.31 54.07 1swe n LYS 121 Cb 0.12 -1.76 0.28 0.00 -0.65 0.00 0.00 35.03 33.03 1swe n LYS 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1swe h SER 122 N 1.03 0.00 -3.19 -5.58 4.64 -1.23 -3.46 113.55 105.76 1swe h SER 122 Ca 0.15 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.88 1swe h SER 122 Cb 1.43 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 63.16 1swe h SER 122 CO 0.27 0.17 -0.83 -0.89 -0.87 0.00 0.00 176.83 174.68 1swe s THR 123 N -3.32 1.49 0.22 2.95 2.01 -1.26 -0.97 115.64 116.76 1swe s THR 123 Ca 0.04 -0.61 -0.09 0.00 0.31 0.00 0.00 61.69 61.34 1swe s THR 123 Cb 0.07 -1.39 -0.07 0.00 0.01 0.00 0.00 72.50 71.12 1swe s THR 123 CO 0.66 0.44 0.52 -0.76 -0.69 0.00 0.00 174.62 174.80 1swe s LEU 124 N 1.29 4.18 -0.03 4.42 1.43 0.16 -4.90 118.68 125.23 1swe s LEU 124 Ca -0.00 0.88 0.04 0.00 -1.03 0.00 0.00 54.13 54.01 1swe s LEU 124 Cb -0.14 -3.63 -0.00 0.00 0.03 0.00 0.00 46.19 42.45 1swe s LEU 124 CO -0.06 -0.05 -0.14 0.54 0.23 0.00 0.00 176.35 176.86 1swe s VAL 125 N -1.79 1.15 0.13 -1.59 0.11 -1.26 -0.94 120.40 116.20 1swe s VAL 125 Ca 0.46 -0.58 -0.02 0.00 -2.93 0.00 0.00 61.98 58.91 1swe s VAL 125 Cb -0.11 -0.98 0.01 0.00 -1.53 0.00 0.00 36.38 33.77 1swe s VAL 125 CO 0.22 0.33 0.20 0.61 -3.33 0.00 0.00 175.10 173.13 1swe n GLY 126 N 3.02 2.41 2.85 6.54 0.00 -0.78 -4.97 105.19 114.25 1swe n GLY 126 Ca -0.17 -1.34 -0.13 0.00 0.00 0.00 0.00 46.02 44.39 1swe n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1swe s HIS 127 N -5.09 0.01 -0.05 1.61 -3.43 -1.26 0.08 115.29 107.16 1swe s HIS 127 Ca 0.08 0.03 0.04 0.00 -0.80 0.00 0.00 55.06 54.41 1swe s HIS 127 Cb -0.01 -0.05 0.00 0.00 -1.43 0.00 0.00 32.58 31.09 1swe s HIS 127 CO 0.06 -0.02 -0.16 -0.51 -2.00 0.00 0.00 174.74 172.11 1swe s ASP 128 N 0.23 2.11 -0.24 7.38 1.01 -0.94 -4.98 116.67 121.24 1swe s ASP 128 Ca -0.02 -0.35 -0.05 0.00 0.71 0.00 0.00 52.55 52.84 1swe s ASP 128 Cb -0.03 -0.71 -0.01 0.00 1.01 0.00 0.00 42.92 43.18 1swe s ASP 128 CO -0.01 0.12 0.00 -0.89 0.21 0.00 0.00 175.17 174.61 1swe s THR 129 N 0.22 3.63 -0.11 -1.27 2.01 -1.26 0.19 115.64 119.05 1swe s THR 129 Ca -0.08 -0.52 -0.06 0.00 0.31 0.00 0.00 61.69 61.34 1swe s THR 129 Cb -0.13 -2.73 -0.04 0.00 0.01 0.00 0.00 72.50 69.62 1swe s THR 129 CO 0.03 0.32 0.13 -0.36 -0.69 0.00 0.00 174.62 174.05 1swe s PHE 130 N 1.50 3.55 0.09 4.92 0.40 0.58 -3.47 117.98 125.55 1swe s PHE 130 Ca 0.05 0.48 0.02 0.00 -0.60 0.00 0.00 56.93 56.88 1swe s PHE 130 Cb -0.15 -1.92 -0.04 0.00 0.51 0.00 0.00 43.02 41.42 1swe s PHE 130 CO -0.01 0.71 -0.07 0.99 0.70 0.00 0.00 175.22 177.54 1swe s THR 131 N -1.04 0.69 -2.04 0.64 2.01 -0.28 -0.78 115.64 114.83 1swe s THR 131 Ca 0.16 -1.74 0.32 0.00 0.31 0.00 0.00 61.69 60.74 1swe s THR 131 Cb -0.12 -1.44 0.88 0.00 0.01 0.00 0.00 72.50 71.83 1swe s THR 131 CO 0.05 -0.75 2.19 0.29 -0.69 0.00 0.00 174.62 175.71