#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1swb h ILE 17 N 0.00 1.33 -2.28 -0.61 2.04 -1.99 -3.44 117.51 112.55 1swb h ILE 17 Ca 0.00 -1.77 -0.57 0.00 1.00 0.00 0.00 64.86 63.52 1swb h ILE 17 Cb 0.00 1.76 0.04 0.00 -0.74 0.00 0.00 36.82 37.88 1swb h ILE 17 CO 0.00 0.54 0.99 0.41 0.00 0.00 0.00 178.15 180.10 1swb n THR 18 N -3.96 0.29 -3.02 -0.27 -1.04 -1.26 -4.79 114.28 100.23 1swb n THR 18 Ca -0.03 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 1swb n THR 18 Cb 0.58 -1.84 0.00 0.00 -1.82 0.00 0.00 70.33 67.26 1swb n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1swb n GLY 19 N 3.98 -0.16 3.35 3.41 0.00 -1.01 -5.03 105.19 109.74 1swb n GLY 19 Ca 0.19 -1.29 -0.34 0.00 0.00 0.00 0.00 46.02 44.59 1swb n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swb s THR 20 N -3.02 3.25 0.17 2.61 2.01 -1.26 -1.76 115.64 117.64 1swb s THR 20 Ca 0.00 -0.56 0.11 0.00 0.31 0.00 0.00 61.69 61.54 1swb s THR 20 Cb 0.00 -2.42 -0.04 0.00 0.01 0.00 0.00 72.50 70.04 1swb s THR 20 CO 0.00 0.48 -0.23 0.26 -0.69 0.00 0.00 174.62 174.44 1swb s TRP 21 N 0.85 2.16 0.02 4.92 0.52 -0.02 -4.52 118.94 122.87 1swb s TRP 21 Ca -0.03 -0.39 0.04 0.00 0.02 0.00 0.00 56.10 55.74 1swb s TRP 21 Cb -0.15 -1.10 -0.02 0.00 -1.15 0.00 0.00 33.47 31.06 1swb s TRP 21 CO 0.01 0.42 -0.12 0.71 0.02 0.00 0.00 176.95 177.99 1swb s TYR 22 N -1.62 1.02 0.55 -1.98 2.02 -0.01 -1.32 117.35 116.01 1swb s TYR 22 Ca 0.18 -0.29 0.08 0.00 -0.37 0.00 0.00 57.07 56.67 1swb s TYR 22 Cb -0.08 -0.63 0.08 0.00 -0.40 0.00 0.00 41.96 40.94 1swb s TYR 22 CO 0.08 0.00 0.68 0.27 -1.57 0.00 0.00 175.55 175.01 1swb n ASN 23 N 2.26 2.21 0.12 2.29 6.94 -0.80 -1.30 115.26 126.98 1swb n ASN 23 Ca -0.17 -2.58 0.10 0.00 -0.02 0.00 0.00 54.58 51.91 1swb n ASN 23 Cb 0.55 -0.32 0.46 0.00 -2.36 0.00 0.00 39.78 38.12 1swb n ASN 23 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1swb n GLN 24 N -2.10 0.13 -0.16 -3.83 0.00 -1.18 -2.03 117.38 108.20 1swb n GLN 24 Ca 0.11 0.52 0.08 0.00 0.00 0.00 0.00 57.00 57.72 1swb n GLN 24 Cb 0.59 -1.84 0.17 0.00 0.00 0.00 0.00 30.24 29.16 1swb n GLN 24 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1swb n LEU 25 N -2.10 3.03 0.00 2.61 4.77 -1.26 -4.95 117.00 119.10 1swb n LEU 25 Ca 0.00 -1.61 0.00 0.00 -0.03 0.00 0.00 56.01 54.37 1swb n LEU 25 Cb 0.11 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1swb n LEU 25 CO 0.12 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 1swb n GLY 26 N 1.01 0.46 3.84 -0.72 0.00 -0.86 -4.71 105.19 104.22 1swb n GLY 26 Ca 0.15 -0.94 -0.33 0.00 0.00 0.00 0.00 46.02 44.90 1swb n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swb s SER 27 N -2.90 6.82 -0.06 1.61 0.01 -1.26 -4.58 113.70 113.34 1swb s SER 27 Ca 0.00 1.49 0.05 0.00 1.31 0.00 0.00 55.95 58.80 1swb s SER 27 Cb 0.00 -2.46 -0.01 0.00 0.21 0.00 0.00 66.02 63.76 1swb s SER 27 CO 0.00 -0.33 -0.22 -0.89 0.41 0.00 0.00 173.24 172.21 1swb s THR 28 N -2.17 1.83 -0.29 1.44 2.01 0.11 -1.91 115.64 116.67 1swb s THR 28 Ca 0.58 -0.93 0.00 0.00 0.31 0.00 0.00 61.69 61.65 1swb s THR 28 Cb -0.10 -1.56 0.09 0.00 0.01 0.00 0.00 72.50 70.94 1swb s THR 28 CO 0.18 0.51 0.05 0.12 -0.69 0.00 0.00 174.62 174.78 1swb s PHE 29 N -0.01 2.22 -0.25 4.92 5.36 -0.44 0.11 117.98 129.89 1swb s PHE 29 Ca -0.06 -1.91 -0.09 0.00 -0.96 0.00 0.00 56.93 53.91 1swb s PHE 29 Cb -0.14 -1.86 -0.04 0.00 -0.34 0.00 0.00 43.02 40.65 1swb s PHE 29 CO 0.04 -0.84 0.12 0.42 -1.46 0.00 0.00 175.22 173.50 1swb s ILE 30 N 1.44 4.85 0.02 3.12 1.01 -0.30 -0.84 121.20 130.50 1swb s ILE 30 Ca 0.05 0.01 0.02 0.00 0.00 0.00 0.00 60.65 60.73 1swb s ILE 30 Cb -0.18 -3.27 -0.02 0.00 0.01 0.00 0.00 42.46 39.01 1swb s ILE 30 CO -0.16 0.33 -0.07 0.54 0.00 0.00 0.00 174.94 175.59 1swb s VAL 31 N 1.36 0.50 -0.10 2.92 0.11 -0.72 -1.41 120.40 123.06 1swb s VAL 31 Ca 0.06 -0.70 0.03 0.00 -2.93 0.00 0.00 61.98 58.44 1swb s VAL 31 Cb -0.15 -0.51 -0.01 0.00 -1.53 0.00 0.00 36.38 34.19 1swb s VAL 31 CO 0.05 -0.15 -0.20 -0.89 -3.33 0.00 0.00 175.10 170.59 1swb s THR 32 N -0.81 2.49 -0.30 5.04 2.01 0.21 -2.39 115.64 121.88 1swb s THR 32 Ca -0.04 -0.88 -0.12 0.00 0.31 0.00 0.00 61.69 60.95 1swb s THR 32 Cb -0.06 -1.98 -0.04 0.00 0.01 0.00 0.00 72.50 70.43 1swb s THR 32 CO 0.00 0.55 0.24 0.00 -0.69 0.00 0.00 174.62 174.73 1swb s ALA 33 N 0.13 3.53 0.65 7.40 0.00 -1.26 -1.88 121.76 130.32 1swb s ALA 33 Ca -0.10 -1.14 -0.10 0.00 0.00 0.00 0.00 51.96 50.62 1swb s ALA 33 Cb -0.16 -2.59 -0.01 0.00 0.00 0.00 0.00 23.12 20.36 1swb s ALA 33 CO 0.06 -0.72 1.03 0.20 0.00 0.00 0.00 175.76 176.33 1swb s GLY 34 N 1.73 1.63 0.46 0.00 0.00 0.33 -4.94 107.32 106.52 1swb s GLY 34 Ca 0.08 -0.32 0.30 0.00 0.00 0.00 0.00 44.72 44.79 1swb s GLY 34 CO 0.11 -0.00 1.88 0.00 0.00 0.00 0.00 173.10 175.09 1swb h ALA 35 N -0.43 1.00 -0.17 3.20 0.00 -1.98 -2.78 119.26 118.11 1swb h ALA 35 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1swb h ALA 35 Cb 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1swb h ALA 35 CO 0.63 0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.48 1swb n ASP 36 N -2.84 1.87 0.00 0.00 5.75 -1.26 -4.90 116.55 115.17 1swb n ASP 36 Ca 0.01 -1.72 0.00 0.00 -0.01 0.00 0.00 54.79 53.07 1swb n ASP 36 Cb 0.31 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 1swb n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1swb n GLY 37 N 1.18 0.79 3.80 6.12 0.00 -1.05 -4.99 105.19 111.04 1swb n GLY 37 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 1swb n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swb s ALA 38 N -2.18 3.41 -0.16 4.61 0.00 -1.26 -0.74 121.76 125.44 1swb s ALA 38 Ca 0.00 0.26 0.02 0.00 0.00 0.00 0.00 51.96 52.23 1swb s ALA 38 Cb 0.00 -2.89 0.01 0.00 0.00 0.00 0.00 23.12 20.24 1swb s ALA 38 CO 0.00 0.31 -0.20 -1.17 0.00 0.00 0.00 175.76 174.69 1swb s LEU 39 N -1.67 2.17 0.02 0.00 2.96 -0.50 0.12 118.68 121.79 1swb s LEU 39 Ca 0.41 -0.60 0.01 0.00 -0.22 0.00 0.00 54.13 53.72 1swb s LEU 39 Cb -0.19 -1.48 -0.02 0.00 0.50 0.00 0.00 46.19 45.00 1swb s LEU 39 CO 0.23 0.05 -0.04 0.42 -1.32 0.00 0.00 176.35 175.69 1swb s THR 40 N 1.01 0.21 -0.87 3.68 -4.23 -0.79 -1.45 115.64 113.20 1swb s THR 40 Ca -0.02 -0.86 0.00 0.00 -1.18 0.00 0.00 61.69 59.63 1swb s THR 40 Cb -0.15 -0.33 0.00 0.00 1.34 0.00 0.00 72.50 73.37 1swb s THR 40 CO -0.06 -0.41 0.00 0.61 -0.54 0.00 0.00 174.62 174.22 1swb n GLY 41 N 1.72 -0.61 3.02 3.99 0.00 -1.09 0.64 105.19 112.87 1swb n GLY 41 Ca -0.22 -0.59 -0.17 0.00 0.00 0.00 0.00 46.02 45.03 1swb n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swb s THR 42 N -3.27 0.64 -0.06 2.61 2.01 -0.50 -1.65 115.64 115.41 1swb s THR 42 Ca 0.00 -0.49 0.04 0.00 0.31 0.00 0.00 61.69 61.55 1swb s THR 42 Cb 0.00 -0.56 -0.02 0.00 0.01 0.00 0.00 72.50 71.93 1swb s THR 42 CO 0.00 0.08 -0.18 -0.47 -0.69 0.00 0.00 174.62 173.36 1swb s TYR 43 N -0.40 2.62 -0.19 4.92 5.04 -0.50 -1.15 117.35 127.69 1swb s TYR 43 Ca 0.01 -0.41 0.00 0.00 -2.44 0.00 0.00 57.07 54.23 1swb s TYR 43 Cb -0.04 -1.65 0.04 0.00 0.35 0.00 0.00 41.96 40.66 1swb s TYR 43 CO -0.00 -0.01 -0.08 -2.00 -1.34 0.00 0.00 175.55 172.12 1swb s GLU 44 N -0.38 1.76 0.51 4.97 2.12 0.31 -1.18 118.70 126.82 1swb s GLU 44 Ca 0.03 -0.72 -0.06 0.00 0.36 0.00 0.00 54.97 54.58 1swb s GLU 44 Cb -0.12 -2.27 -0.03 0.00 0.26 0.00 0.00 34.13 31.97 1swb s GLU 44 CO 0.02 -0.44 0.83 0.45 -0.54 0.00 0.00 175.26 175.58 1swb s SER 45 N 1.49 6.18 -0.06 -1.70 0.15 -1.26 0.07 113.70 118.57 1swb s SER 45 Ca -0.01 0.97 0.16 0.00 0.70 0.00 0.00 55.95 57.77 1swb s SER 45 Cb -0.16 -2.21 -0.23 0.00 -1.71 0.00 0.00 66.02 61.70 1swb s SER 45 CO -0.08 -0.68 0.27 0.00 1.20 0.00 0.00 173.24 173.95 1swb n ALA 46 N -2.37 2.31 -2.38 5.45 0.00 -1.26 -4.89 120.51 117.37 1swb n ALA 46 Ca 0.02 -0.57 -0.19 0.00 0.00 0.00 0.00 53.44 52.70 1swb n ALA 46 Cb 0.55 -0.41 -0.10 0.00 0.00 0.00 0.00 19.45 19.49 1swb n ALA 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1swb s VAL 47 N -2.90 1.38 0.00 0.00 -7.23 -1.26 -5.06 120.40 105.33 1swb s VAL 47 Ca -0.06 -2.09 0.00 0.00 -1.81 0.00 0.00 61.98 58.02 1swb s VAL 47 Cb 0.09 -2.36 0.00 0.00 0.56 0.00 0.00 36.38 34.67 1swb s VAL 47 CO 0.66 -0.34 0.00 0.61 -0.31 0.00 0.00 175.10 175.72 1swb n GLY 48 N -0.49 -2.19 3.56 2.32 0.00 -1.26 -4.60 105.19 102.52 1swb n GLY 48 Ca -0.06 -1.59 -0.34 0.00 0.00 0.00 0.00 46.02 44.04 1swb n GLY 48 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1swb s ASN 49 N -3.40 5.60 -0.19 1.61 2.47 -1.26 -4.86 114.94 114.91 1swb s ASN 49 Ca 0.00 -0.67 -0.26 0.00 0.42 0.00 0.00 52.86 52.35 1swb s ASN 49 Cb 0.00 -2.56 0.07 0.00 -1.45 0.00 0.00 41.25 37.31 1swb s ASN 49 CO 0.00 -2.29 0.67 0.00 -3.72 0.00 0.00 177.10 171.76 1swb s ALA 50 N 8.24 -1.69 -0.30 1.71 0.00 -1.26 -4.75 121.76 123.71 1swb s ALA 50 Ca 0.60 1.70 -0.11 0.00 0.00 0.00 0.00 51.96 54.15 1swb s ALA 50 Cb -0.06 -0.75 0.13 0.00 0.00 0.00 0.00 23.12 22.44 1swb s ALA 50 CO 0.02 -0.34 0.70 -2.00 0.00 0.00 0.00 175.76 174.15 1swb s GLU 51 N -0.15 0.55 1.90 0.00 2.56 -1.26 -5.02 118.70 117.29 1swb s GLU 51 Ca -0.04 1.34 0.00 0.00 0.00 0.00 0.00 54.97 56.27 1swb s GLU 51 Cb -0.03 0.75 0.00 0.00 2.00 0.00 0.00 34.13 36.85 1swb s GLU 51 CO 0.04 -0.18 0.00 0.45 -0.56 0.00 0.00 175.26 175.01 1swb n SER 52 N 5.27 -1.06 -4.88 -1.70 2.88 -1.26 -4.87 113.62 108.01 1swb n SER 52 Ca -0.12 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.10 1swb n SER 52 Cb 0.50 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.91 1swb n SER 52 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1swb s ARG 53 N 0.00 3.79 0.15 -1.46 0.52 -1.26 -4.39 118.95 116.30 1swb s ARG 53 Ca 0.00 0.25 0.11 0.00 -0.52 0.00 0.00 55.73 55.56 1swb s ARG 53 Cb 0.00 -2.66 -0.04 0.00 0.52 0.00 0.00 34.95 32.77 1swb s ARG 53 CO 0.00 0.32 -0.24 0.71 0.02 0.00 0.00 175.30 176.11 1swb s TYR 54 N -1.82 2.19 0.31 -0.53 1.51 -0.32 -4.90 117.35 113.80 1swb s TYR 54 Ca 0.47 -0.38 -0.27 0.00 -1.01 0.00 0.00 57.07 55.87 1swb s TYR 54 Cb -0.11 -1.14 -0.09 0.00 -0.11 0.00 0.00 41.96 40.50 1swb s TYR 54 CO 0.22 0.39 1.02 0.08 -1.11 0.00 0.00 175.55 176.14 1swb s VAL 55 N -1.41 3.83 0.20 0.71 1.01 -1.26 -1.40 120.40 122.07 1swb s VAL 55 Ca 0.16 1.64 0.10 0.00 0.00 0.00 0.00 61.98 63.88 1swb s VAL 55 Cb -0.09 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 1swb s VAL 55 CO 0.07 0.25 -0.20 -1.48 0.00 0.00 0.00 175.10 173.74 1swb s LEU 56 N -1.85 2.47 -0.08 3.92 0.05 -0.66 -4.46 118.68 118.07 1swb s LEU 56 Ca 0.49 -0.91 -0.15 0.00 0.05 0.00 0.00 54.13 53.61 1swb s LEU 56 Cb -0.25 -0.99 0.03 0.00 -2.05 0.00 0.00 46.19 42.94 1swb s LEU 56 CO 0.32 0.02 0.37 0.28 -0.55 0.00 0.00 176.35 176.80 1swb s THR 57 N -2.06 0.03 0.00 5.48 -1.32 -1.13 -2.69 115.64 113.95 1swb s THR 57 Ca 0.21 -0.22 0.00 0.00 -1.21 0.00 0.00 61.69 60.47 1swb s THR 57 Cb -0.06 -0.61 0.00 0.00 -1.51 0.00 0.00 72.50 70.32 1swb s THR 57 CO 0.09 -0.12 0.00 0.61 -2.21 0.00 0.00 174.62 172.99 1swb n GLY 58 N 2.00 1.84 3.08 6.08 0.00 -0.53 -1.27 105.19 116.39 1swb n GLY 58 Ca -0.17 -0.94 -0.11 0.00 0.00 0.00 0.00 46.02 44.80 1swb n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1swb s ARG 59 N -1.59 0.58 0.19 1.61 1.81 -0.52 -1.41 118.95 119.61 1swb s ARG 59 Ca 0.00 -0.94 -0.04 0.00 -1.72 0.00 0.00 55.73 53.03 1swb s ARG 59 Cb 0.00 -0.12 -0.03 0.00 -0.45 0.00 0.00 34.95 34.35 1swb s ARG 59 CO 0.00 -0.01 0.19 1.52 -0.68 0.00 0.00 175.30 176.32 1swb s TYR 60 N -2.33 0.89 -0.59 -0.53 1.13 0.08 -1.92 117.35 114.07 1swb s TYR 60 Ca -0.03 -1.18 -0.28 0.00 -1.41 0.00 0.00 57.07 54.17 1swb s TYR 60 Cb -0.04 -0.37 0.03 0.00 -1.10 0.00 0.00 41.96 40.49 1swb s TYR 60 CO -0.03 -0.68 1.18 0.34 -2.51 0.00 0.00 175.55 173.85 1swb s ASP 61 N -3.09 6.41 0.00 -0.18 2.15 -0.94 -4.61 116.67 116.41 1swb s ASP 61 Ca 0.31 0.02 0.08 0.00 0.43 0.00 0.00 52.55 53.39 1swb s ASP 61 Cb 0.05 -2.54 0.30 0.00 -0.30 0.00 0.00 42.92 40.43 1swb s ASP 61 CO 0.08 -1.49 1.23 -1.54 -0.17 0.00 0.00 175.17 173.27 1swb n SER 62 N 8.44 1.05 -2.94 -0.34 3.41 -1.26 -4.23 113.62 117.75 1swb n SER 62 Ca 0.07 -1.93 -0.15 0.00 -0.26 0.00 0.00 58.87 56.61 1swb n SER 62 Cb 0.49 -0.12 -0.00 0.00 -0.26 0.00 0.00 64.21 64.31 1swb n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1swb n ALA 63 N 0.05 0.20 -1.20 7.33 0.00 -1.26 -5.04 120.51 120.57 1swb n ALA 63 Ca 0.08 -2.21 -0.29 0.00 0.00 0.00 0.00 53.44 51.02 1swb n ALA 63 Cb 0.18 -1.12 0.16 0.00 0.00 0.00 0.00 19.45 18.66 1swb n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1swb s PRO 64 N -0.04 0.85 0.69 0.00 0.04 -1.26 -5.00 135.00 130.28 1swb s PRO 64 Ca 0.33 0.64 -0.17 0.00 0.04 0.00 0.00 61.00 61.85 1swb s PRO 64 Cb 0.19 -1.78 0.02 0.00 0.04 0.00 0.00 34.50 32.97 1swb s PRO 64 CO -0.18 -2.48 1.26 0.00 0.04 0.00 0.00 177.00 175.64 1swb s ALA 65 N -2.97 2.22 -0.84 8.56 0.00 -1.26 -4.94 121.76 122.53 1swb s ALA 65 Ca 0.64 1.08 0.23 0.00 0.00 0.00 0.00 51.96 53.91 1swb s ALA 65 Cb -0.18 -3.53 0.05 0.00 0.00 0.00 0.00 23.12 19.46 1swb s ALA 65 CO 0.57 -1.79 1.06 -2.37 0.00 0.00 0.00 175.76 173.22 1swb n THR 66 N -2.33 0.05 0.96 0.00 5.66 -1.26 -4.47 114.28 112.89 1swb n THR 66 Ca 0.15 -0.10 0.00 0.00 -3.05 0.00 0.00 64.05 61.05 1swb n THR 66 Cb 0.49 0.51 0.00 0.00 -1.55 0.00 0.00 70.33 69.78 1swb n THR 66 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1swb n ASP 67 N -1.67 0.03 0.00 1.09 5.68 -1.26 -4.75 116.55 115.67 1swb n ASP 67 Ca 0.03 -1.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.33 1swb n ASP 67 Cb 0.37 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.34 1swb n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1swb n GLY 68 N 0.02 0.58 3.80 6.12 0.00 -1.26 -5.06 105.19 109.39 1swb n GLY 68 Ca 0.00 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 1swb n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swb s SER 69 N -2.13 4.37 0.84 1.61 0.01 -1.26 -5.06 113.70 112.08 1swb s SER 69 Ca 0.00 1.32 -0.12 0.00 1.31 0.00 0.00 55.95 58.45 1swb s SER 69 Cb 0.00 -2.04 0.10 0.00 0.21 0.00 0.00 66.02 64.29 1swb s SER 69 CO 0.00 -2.05 1.19 -0.83 0.41 0.00 0.00 173.24 171.96 1swb s GLY 70 N -3.86 1.61 -0.38 3.44 0.00 -1.26 -4.89 107.32 101.98 1swb s GLY 70 Ca 0.61 -0.69 -0.14 0.00 0.00 0.00 0.00 44.72 44.49 1swb s GLY 70 CO 0.54 -0.16 0.30 -1.59 0.00 0.00 0.00 173.10 172.19 1swb s THR 71 N -3.57 5.24 0.46 0.90 2.01 -0.58 -4.81 115.64 115.30 1swb s THR 71 Ca 0.64 -0.38 -0.23 0.00 0.31 0.00 0.00 61.69 62.02 1swb s THR 71 Cb -0.11 -3.85 -0.07 0.00 0.01 0.00 0.00 72.50 68.48 1swb s THR 71 CO 0.50 -0.18 1.24 0.00 -0.69 0.00 0.00 174.62 175.49 1swb s ALA 72 N 1.78 3.01 0.12 7.40 0.00 -1.26 -0.54 121.76 132.27 1swb s ALA 72 Ca 0.07 1.10 -0.25 0.00 0.00 0.00 0.00 51.96 52.88 1swb s ALA 72 Cb -0.18 -3.45 0.07 0.00 0.00 0.00 0.00 23.12 19.56 1swb s ALA 72 CO 0.11 -0.87 0.88 -0.48 0.00 0.00 0.00 175.76 175.40 1swb s LEU 73 N -2.98 -0.28 -0.08 0.00 2.34 -0.56 -2.22 118.68 114.91 1swb s LEU 73 Ca 0.64 -0.27 -0.30 0.00 0.06 0.00 0.00 54.13 54.26 1swb s LEU 73 Cb -0.34 2.22 0.11 0.00 -0.56 0.00 0.00 46.19 47.62 1swb s LEU 73 CO 0.41 -0.87 0.93 -0.83 -1.06 0.00 0.00 176.35 174.93 1swb s GLY 74 N -2.79 -0.39 0.21 -3.48 0.00 -0.81 -1.33 107.32 98.74 1swb s GLY 74 Ca 0.09 1.46 -0.17 0.00 0.00 0.00 0.00 44.72 46.10 1swb s GLY 74 CO -0.02 0.66 0.54 0.66 0.00 0.00 0.00 173.10 174.94 1swb s TRP 75 N -2.17 -0.05 0.04 1.90 -2.14 -0.59 -1.44 118.94 114.48 1swb s TRP 75 Ca 0.01 -0.31 0.05 0.00 2.66 0.00 0.00 56.10 58.51 1swb s TRP 75 Cb -0.01 0.40 -0.02 0.00 -3.10 0.00 0.00 33.47 30.74 1swb s TRP 75 CO -0.03 -0.97 -0.15 0.99 -2.66 0.00 0.00 176.95 174.13 1swb s THR 76 N -3.90 1.21 -0.07 0.66 2.01 -0.40 -1.13 115.64 114.02 1swb s THR 76 Ca 0.12 -1.01 0.01 0.00 0.31 0.00 0.00 61.69 61.12 1swb s THR 76 Cb -0.02 -1.08 0.02 0.00 0.01 0.00 0.00 72.50 71.43 1swb s THR 76 CO 0.00 0.06 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.22 1swb s VAL 77 N -0.81 0.93 -0.22 3.82 1.01 -0.38 -2.82 120.40 121.92 1swb s VAL 77 Ca 0.03 -0.32 -0.15 0.00 0.00 0.00 0.00 61.98 61.54 1swb s VAL 77 Cb -0.08 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.36 1swb s VAL 77 CO 0.01 0.32 0.36 0.00 0.00 0.00 0.00 175.10 175.79 1swb s ALA 78 N 1.02 3.57 -1.54 5.51 0.00 -1.26 -1.02 121.76 128.04 1swb s ALA 78 Ca -0.08 -0.65 -0.10 0.00 0.00 0.00 0.00 51.96 51.13 1swb s ALA 78 Cb -0.15 -2.60 -0.03 0.00 0.00 0.00 0.00 23.12 20.34 1swb s ALA 78 CO -0.00 -0.37 2.71 0.91 0.00 0.00 0.00 175.76 179.02 1swb n TRP 79 N 4.64 2.65 -4.24 0.00 7.02 -0.37 -4.78 117.44 122.37 1swb n TRP 79 Ca -0.09 -3.03 -0.24 0.00 -1.02 0.00 0.00 57.50 53.12 1swb n TRP 79 Cb 0.51 -2.39 -0.17 0.00 -2.42 0.00 0.00 31.31 26.85 1swb n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1swb s LYS 80 N 1.77 1.39 0.00 -0.99 2.20 -1.26 -0.59 119.74 122.26 1swb s LYS 80 Ca 0.63 -0.27 0.00 0.00 -0.36 0.00 0.00 55.97 55.97 1swb s LYS 80 Cb 0.17 -1.31 0.00 0.00 -1.51 0.00 0.00 37.83 35.18 1swb s LYS 80 CO -0.07 -0.11 0.00 0.27 -0.36 0.00 0.00 175.35 175.09 1swb n ASN 81 N 4.29 0.00 0.04 1.43 0.23 0.32 -4.81 115.26 116.76 1swb n ASN 81 Ca -0.19 -0.79 0.11 0.00 -0.53 0.00 0.00 54.58 53.17 1swb n ASN 81 Cb 0.51 0.00 0.44 0.00 -2.08 0.00 0.00 39.78 38.65 1swb n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1swb n ASN 82 N -2.33 0.21 -0.09 0.53 5.03 -1.26 -3.60 115.26 113.75 1swb n ASN 82 Ca 0.00 0.54 -0.23 0.00 0.87 0.00 0.00 54.58 55.76 1swb n ASN 82 Cb 0.00 -0.59 -0.12 0.00 -1.02 0.00 0.00 39.78 38.05 1swb n ASN 82 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1swb n TYR 83 N -1.72 0.66 -4.11 3.10 4.01 -1.26 -5.05 117.16 112.79 1swb n TYR 83 Ca 0.04 0.22 -0.11 0.00 -0.16 0.00 0.00 57.90 57.89 1swb n TYR 83 Cb 0.26 -1.08 -0.07 0.00 -0.31 0.00 0.00 39.34 38.14 1swb n TYR 83 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1swb s ARG 84 N -2.47 1.43 -0.11 -0.72 1.70 -1.24 -5.13 118.95 112.40 1swb s ARG 84 Ca -0.31 -1.51 -0.04 0.00 -0.47 0.00 0.00 55.73 53.41 1swb s ARG 84 Cb 0.09 0.37 0.06 0.00 -0.57 0.00 0.00 34.95 34.89 1swb s ARG 84 CO 0.61 -0.54 0.16 1.21 -1.08 0.00 0.00 175.30 175.66 1swb s ASN 85 N -3.12 1.06 -0.07 -2.89 3.84 -1.26 -0.52 114.94 111.98 1swb s ASN 85 Ca 0.32 0.12 0.20 0.00 0.21 0.00 0.00 52.86 53.70 1swb s ASN 85 Cb 0.03 0.22 0.70 0.00 -0.55 0.00 0.00 41.25 41.65 1swb s ASN 85 CO 0.12 -0.27 1.60 0.00 -2.79 0.00 0.00 177.10 175.76 1swb n ALA 86 N 5.32 2.85 -3.98 1.71 0.00 0.24 -4.96 120.51 121.68 1swb n ALA 86 Ca -0.05 -1.47 -0.33 0.00 0.00 0.00 0.00 53.44 51.59 1swb n ALA 86 Cb 0.50 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.94 1swb n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1swb n HIS 87 N 1.33 -1.58 -3.44 0.00 8.25 -1.26 -4.89 115.22 113.63 1swb n HIS 87 Ca 0.25 0.49 -0.13 0.00 -0.26 0.00 0.00 57.72 58.08 1swb n HIS 87 Cb 0.80 -3.27 -0.03 0.00 1.12 0.00 0.00 29.99 28.61 1swb n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1swb s SER 88 N -3.97 -0.57 0.01 0.41 1.04 -1.26 -1.26 113.70 108.11 1swb s SER 88 Ca 0.23 0.11 -0.03 0.00 0.48 0.00 0.00 55.95 56.74 1swb s SER 88 Cb -0.10 0.57 -0.01 0.00 0.10 0.00 0.00 66.02 66.58 1swb s SER 88 CO 0.92 -0.89 0.04 0.00 0.98 0.00 0.00 173.24 174.30 1swb s ALA 89 N -3.30 -0.07 -0.03 5.32 0.00 -0.25 -1.24 121.76 122.18 1swb s ALA 89 Ca -0.01 -0.35 0.06 0.00 0.00 0.00 0.00 51.96 51.67 1swb s ALA 89 Cb -0.01 0.11 -0.01 0.00 0.00 0.00 0.00 23.12 23.21 1swb s ALA 89 CO -0.09 -0.17 -0.22 0.99 0.00 0.00 0.00 175.76 176.27 1swb s THR 90 N -1.29 1.80 -0.12 0.00 2.01 -0.19 -1.30 115.64 116.55 1swb s THR 90 Ca -0.14 -0.95 0.02 0.00 0.31 0.00 0.00 61.69 60.93 1swb s THR 90 Cb -0.08 -1.51 -0.00 0.00 0.01 0.00 0.00 72.50 70.92 1swb s THR 90 CO 0.00 0.51 -0.20 0.42 -0.69 0.00 0.00 174.62 174.66 1swb s THR 91 N -0.32 2.33 -0.14 -0.82 -4.23 -0.32 -1.25 115.64 110.89 1swb s THR 91 Ca 0.03 -0.91 -0.05 0.00 -1.18 0.00 0.00 61.69 59.58 1swb s THR 91 Cb -0.11 -1.93 -0.04 0.00 1.34 0.00 0.00 72.50 71.76 1swb s THR 91 CO 0.01 0.54 0.04 0.26 -0.54 0.00 0.00 174.62 174.94 1swb s TRP 92 N 0.52 3.25 -0.08 3.99 0.51 -0.29 -1.74 118.94 125.11 1swb s TRP 92 Ca -0.13 0.13 0.02 0.00 -2.12 0.00 0.00 56.10 54.00 1swb s TRP 92 Cb -0.17 -1.96 0.02 0.00 -0.81 0.00 0.00 33.47 30.55 1swb s TRP 92 CO 0.05 0.31 -0.12 0.45 -0.51 0.00 0.00 176.95 177.12 1swb s SER 93 N -0.20 1.99 0.00 2.95 0.15 0.11 -1.54 113.70 117.16 1swb s SER 93 Ca 0.07 -0.33 0.00 0.00 0.70 0.00 0.00 55.95 56.39 1swb s SER 93 Cb -0.12 -0.89 0.00 0.00 -1.71 0.00 0.00 66.02 63.30 1swb s SER 93 CO 0.02 0.01 0.00 0.61 1.20 0.00 0.00 173.24 175.07 1swb n GLY 94 N 4.07 1.97 3.20 9.45 0.00 -0.44 -1.47 105.19 121.96 1swb n GLY 94 Ca -0.20 -0.43 -0.11 0.00 0.00 0.00 0.00 46.02 45.27 1swb n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1swb s GLN 95 N 1.73 0.68 -0.17 1.61 -2.07 -0.55 -1.50 119.66 119.39 1swb s GLN 95 Ca 0.00 -0.46 -0.09 0.00 -1.82 0.00 0.00 55.36 52.99 1swb s GLN 95 Cb 0.00 0.29 -0.05 0.00 -1.09 0.00 0.00 33.01 32.16 1swb s GLN 95 CO 0.00 -0.19 0.13 -0.47 -1.32 0.00 0.00 175.29 173.44 1swb s TYR 96 N -2.06 3.48 -0.15 9.60 5.04 0.30 -1.72 117.35 131.85 1swb s TYR 96 Ca -0.09 0.41 0.01 0.00 -2.44 0.00 0.00 57.07 54.96 1swb s TYR 96 Cb -0.03 -2.07 0.02 0.00 0.35 0.00 0.00 41.96 40.23 1swb s TYR 96 CO -0.01 0.47 -0.17 0.08 -1.34 0.00 0.00 175.55 174.58 1swb s VAL 97 N -0.20 1.75 0.79 3.14 1.01 -0.53 -1.53 120.40 124.84 1swb s VAL 97 Ca 0.11 -0.76 -0.06 0.00 0.00 0.00 0.00 61.98 61.27 1swb s VAL 97 Cb -0.11 -1.60 0.14 0.00 0.00 0.00 0.00 36.38 34.81 1swb s VAL 97 CO 0.00 0.49 1.10 -0.83 0.00 0.00 0.00 175.10 175.86 1swb s GLY 98 N 1.28 1.76 0.00 4.51 0.00 -1.26 -2.29 107.32 111.32 1swb s GLY 98 Ca 0.02 -1.50 0.00 0.00 0.00 0.00 0.00 44.72 43.24 1swb s GLY 98 CO -0.09 -0.88 0.00 0.61 0.00 0.00 0.00 173.10 172.74 1swb n GLY 99 N -3.13 0.79 0.25 0.20 0.00 -1.26 -4.76 105.19 97.28 1swb n GLY 99 Ca 0.14 -2.02 -0.12 0.00 0.00 0.00 0.00 46.02 44.03 1swb n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swb h ALA 100 N 0.00 -0.31 -2.86 4.61 0.00 -2.06 -3.30 119.26 115.34 1swb h ALA 100 Ca 0.00 -0.01 -0.72 0.00 0.00 0.00 0.00 54.91 54.17 1swb h ALA 100 Cb 0.00 0.36 -0.31 0.00 0.00 0.00 0.00 17.79 17.84 1swb h ALA 100 CO 0.00 -0.72 -0.34 -2.00 0.00 0.00 0.00 179.25 176.19 1swb s GLU 101 N -6.09 2.58 0.18 0.00 2.12 -1.26 -5.07 118.70 111.16 1swb s GLU 101 Ca -0.15 -2.06 -0.30 0.00 0.36 0.00 0.00 54.97 52.82 1swb s GLU 101 Cb 0.08 -3.90 -0.08 0.00 0.26 0.00 0.00 34.13 30.50 1swb s GLU 101 CO 0.66 -1.19 1.03 0.00 -0.54 0.00 0.00 175.26 175.22 1swb s ALA 102 N 0.81 3.33 0.06 6.30 0.00 -1.25 -4.87 121.76 126.15 1swb s ALA 102 Ca 0.10 0.72 -0.12 0.00 0.00 0.00 0.00 51.96 52.67 1swb s ALA 102 Cb -0.22 -3.30 0.01 0.00 0.00 0.00 0.00 23.12 19.61 1swb s ALA 102 CO -0.03 -0.07 0.26 -0.98 0.00 0.00 0.00 175.76 174.93 1swb s ARG 103 N -0.54 0.80 -0.19 0.00 1.70 -0.97 -4.22 118.95 115.54 1swb s ARG 103 Ca 0.47 -0.65 0.00 0.00 -0.47 0.00 0.00 55.73 55.08 1swb s ARG 103 Cb -0.27 0.34 0.01 0.00 -0.57 0.00 0.00 34.95 34.46 1swb s ARG 103 CO 0.34 -0.26 -0.17 0.42 -1.08 0.00 0.00 175.30 174.55 1swb s ILE 104 N -2.92 2.30 -0.22 4.99 1.01 -0.51 -1.45 121.20 124.39 1swb s ILE 104 Ca -0.02 -0.86 -0.09 0.00 0.00 0.00 0.00 60.65 59.68 1swb s ILE 104 Cb 0.00 -1.98 -0.04 0.00 0.01 0.00 0.00 42.46 40.45 1swb s ILE 104 CO -0.06 0.52 0.11 0.20 0.00 0.00 0.00 174.94 175.71 1swb s ASN 105 N 1.32 5.79 0.08 3.58 0.01 -0.70 -1.31 114.94 123.70 1swb s ASN 105 Ca 0.05 0.05 0.03 0.00 -0.71 0.00 0.00 52.86 52.28 1swb s ASN 105 Cb -0.13 -2.03 -0.03 0.00 0.41 0.00 0.00 41.25 39.47 1swb s ASN 105 CO -0.11 0.09 -0.08 0.42 -1.51 0.00 0.00 177.10 175.91 1swb s THR 106 N 0.89 0.72 0.05 1.60 -4.23 -0.15 -1.49 115.64 113.04 1swb s THR 106 Ca 0.06 -1.55 0.04 0.00 -1.18 0.00 0.00 61.69 59.06 1swb s THR 106 Cb -0.13 -1.21 -0.04 0.00 1.34 0.00 0.00 72.50 72.46 1swb s THR 106 CO 0.03 -0.60 -0.04 -1.10 -0.54 0.00 0.00 174.62 172.36 1swb s GLN 107 N -2.73 2.50 0.06 3.99 -1.52 -0.54 -1.50 119.66 119.92 1swb s GLN 107 Ca 0.02 -0.81 0.01 0.00 -1.95 0.00 0.00 55.36 52.63 1swb s GLN 107 Cb -0.03 -2.50 -0.03 0.00 -0.22 0.00 0.00 33.01 30.23 1swb s GLN 107 CO -0.01 0.57 -0.05 1.67 -0.25 0.00 0.00 175.29 177.21 1swb s TRP 108 N -1.16 0.62 -0.06 0.91 1.48 -0.50 -0.71 118.94 119.52 1swb s TRP 108 Ca 0.21 -0.78 0.03 0.00 -1.06 0.00 0.00 56.10 54.51 1swb s TRP 108 Cb -0.11 -0.39 0.00 0.00 -1.16 0.00 0.00 33.47 31.81 1swb s TRP 108 CO 0.13 -0.20 -0.15 -0.51 -4.06 0.00 0.00 176.95 172.16 1swb s LEU 109 N -2.34 1.80 -0.24 -4.66 1.43 -0.71 -2.20 118.68 111.76 1swb s LEU 109 Ca -0.00 -0.33 0.01 0.00 -1.03 0.00 0.00 54.13 52.78 1swb s LEU 109 Cb -0.01 -0.90 0.04 0.00 0.03 0.00 0.00 46.19 45.35 1swb s LEU 109 CO -0.04 0.09 -0.12 -0.22 0.23 0.00 0.00 176.35 176.29 1swb s LEU 110 N 0.34 3.08 -0.14 1.79 2.96 -0.62 -1.17 118.68 124.92 1swb s LEU 110 Ca -0.09 -1.11 -0.01 0.00 -0.22 0.00 0.00 54.13 52.70 1swb s LEU 110 Cb -0.14 -1.56 -0.02 0.00 0.50 0.00 0.00 46.19 44.98 1swb s LEU 110 CO 0.03 -0.13 -0.10 -0.89 -1.32 0.00 0.00 176.35 173.94 1swb s THR 111 N 1.20 3.27 0.03 3.68 2.01 -0.42 -0.50 115.64 124.91 1swb s THR 111 Ca -0.04 -0.58 -0.02 0.00 0.31 0.00 0.00 61.69 61.36 1swb s THR 111 Cb -0.18 -2.40 -0.04 0.00 0.01 0.00 0.00 72.50 69.89 1swb s THR 111 CO -0.07 0.51 0.22 -0.44 -0.69 0.00 0.00 174.62 174.15 1swb s SER 112 N 0.46 6.39 0.40 3.53 0.01 -0.80 -1.09 113.70 122.60 1swb s SER 112 Ca -0.08 0.37 -0.26 0.00 1.31 0.00 0.00 55.95 57.29 1swb s SER 112 Cb -0.15 -2.01 -0.09 0.00 0.21 0.00 0.00 66.02 63.98 1swb s SER 112 CO 0.04 0.21 1.29 -0.83 0.41 0.00 0.00 173.24 174.36 1swb s GLY 113 N -2.14 2.92 0.12 3.44 0.00 -0.39 -4.87 107.32 106.41 1swb s GLY 113 Ca 0.31 1.20 -0.18 0.00 0.00 0.00 0.00 44.72 46.05 1swb s GLY 113 CO 0.22 1.78 0.45 -0.51 0.00 0.00 0.00 173.10 175.04 1swb s THR 114 N -1.27 0.05 1.03 0.90 -4.23 -1.26 -5.02 115.64 105.84 1swb s THR 114 Ca 0.56 -0.43 -0.17 0.00 -1.18 0.00 0.00 61.69 60.47 1swb s THR 114 Cb -0.37 -1.10 0.22 0.00 1.34 0.00 0.00 72.50 72.58 1swb s THR 114 CO 0.48 -0.24 1.23 0.42 -0.54 0.00 0.00 174.62 175.97 1swb s THR 115 N -3.59 1.87 0.12 3.99 -4.23 -1.26 -4.89 115.64 107.64 1swb s THR 115 Ca 0.01 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.40 1swb s THR 115 Cb 0.01 -2.80 -0.12 0.00 1.34 0.00 0.00 72.50 70.93 1swb s THR 115 CO -0.11 0.00 1.36 -0.33 -0.54 0.00 0.00 174.62 175.00 1swb h GLU 116 N -1.92 0.84 -0.21 3.99 5.08 -2.02 -2.82 114.58 117.52 1swb h GLU 116 Ca -0.45 -0.60 0.06 0.00 -1.00 0.00 0.00 59.36 57.37 1swb h GLU 116 Cb 1.27 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.61 1swb h GLU 116 CO 0.40 1.22 0.22 0.00 -1.00 0.00 0.00 179.01 179.85 1swb h ALA 117 N 0.63 1.88 -0.27 3.43 0.00 -2.07 -2.08 119.26 120.78 1swb h ALA 117 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1swb h ALA 117 Cb 1.28 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1swb h ALA 117 CO 0.14 -0.33 0.00 0.09 0.00 0.00 0.00 179.25 179.15 1swb n ASN 118 N -3.87 2.70 0.28 0.00 3.02 -1.13 -4.65 115.26 111.60 1swb n ASN 118 Ca 0.02 -1.85 0.15 0.00 -0.03 0.00 0.00 54.58 52.87 1swb n ASN 118 Cb 0.35 -0.17 0.81 0.00 -0.61 0.00 0.00 39.78 40.15 1swb n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1swb h ALA 119 N 2.26 1.23 0.00 5.41 0.00 -1.12 -2.64 119.26 124.41 1swb h ALA 119 Ca 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1swb h ALA 119 Cb 0.68 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1swb h ALA 119 CO 0.00 0.10 -0.02 0.11 0.00 0.00 0.00 179.25 179.44 1swb h TRP 120 N 0.00 0.00 -0.52 0.00 5.08 -1.83 -0.31 115.95 118.37 1swb h TRP 120 Ca -0.00 0.00 -0.32 0.00 1.08 0.00 0.00 58.89 59.65 1swb h TRP 120 Cb 0.28 0.00 -0.20 0.00 -3.00 0.00 0.00 29.16 26.24 1swb h TRP 120 CO 0.00 0.02 -0.11 0.36 -1.28 0.00 0.00 178.44 177.43 1swb n LYS 121 N -3.61 2.29 0.00 0.12 2.85 -0.99 -4.70 118.16 114.12 1swb n LYS 121 Ca -0.03 -3.40 0.12 0.00 -1.05 0.00 0.00 58.31 53.95 1swb n LYS 121 Cb 0.11 -1.97 0.21 0.00 -0.65 0.00 0.00 35.03 32.73 1swb n LYS 121 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1swb n SER 122 N -1.02 0.79 -4.02 -5.58 3.41 -0.13 -4.89 113.62 102.18 1swb n SER 122 Ca 0.40 -0.59 -0.28 0.00 -0.26 0.00 0.00 58.87 58.14 1swb n SER 122 Cb 0.99 0.34 -0.17 0.00 -0.26 0.00 0.00 64.21 65.12 1swb n SER 122 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1swb s THR 123 N -2.85 1.36 0.16 6.66 2.01 -1.26 -1.91 115.64 119.82 1swb s THR 123 Ca 0.14 -0.55 -0.02 0.00 0.31 0.00 0.00 61.69 61.57 1swb s THR 123 Cb 0.18 -1.27 -0.05 0.00 0.01 0.00 0.00 72.50 71.37 1swb s THR 123 CO 0.67 0.42 0.36 -0.76 -0.69 0.00 0.00 174.62 174.62 1swb s LEU 124 N 1.15 4.26 0.01 4.42 1.43 0.35 -4.94 118.68 125.36 1swb s LEU 124 Ca -0.04 0.46 0.03 0.00 -1.03 0.00 0.00 54.13 53.56 1swb s LEU 124 Cb -0.14 -3.21 -0.01 0.00 0.03 0.00 0.00 46.19 42.86 1swb s LEU 124 CO -0.03 0.02 -0.10 0.54 0.23 0.00 0.00 176.35 177.00 1swb s VAL 125 N -1.74 0.77 0.10 -1.59 0.11 -1.26 -1.58 120.40 115.20 1swb s VAL 125 Ca 0.39 -0.67 -0.08 0.00 -2.93 0.00 0.00 61.98 58.70 1swb s VAL 125 Cb -0.12 -0.70 0.03 0.00 -1.53 0.00 0.00 36.38 34.07 1swb s VAL 125 CO 0.27 0.04 0.38 0.61 -3.33 0.00 0.00 175.10 173.07 1swb n GLY 126 N 2.35 1.19 2.97 6.54 0.00 -0.94 -5.03 105.19 112.28 1swb n GLY 126 Ca -0.16 -1.04 -0.10 0.00 0.00 0.00 0.00 46.02 44.72 1swb n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1swb s HIS 127 N -4.99 0.20 0.01 1.61 -3.43 -1.26 -1.42 115.29 106.02 1swb s HIS 127 Ca 0.08 -0.41 0.01 0.00 -0.80 0.00 0.00 55.06 53.95 1swb s HIS 127 Cb -0.01 -0.15 -0.01 0.00 -1.43 0.00 0.00 32.58 30.98 1swb s HIS 127 CO 0.03 -0.16 -0.05 -0.51 -2.00 0.00 0.00 174.74 172.05 1swb s ASP 128 N -1.19 0.57 -0.13 7.38 1.01 -0.56 -4.97 116.67 118.78 1swb s ASP 128 Ca -0.13 -0.23 0.02 0.00 0.71 0.00 0.00 52.55 52.92 1swb s ASP 128 Cb -0.08 -0.02 0.01 0.00 1.01 0.00 0.00 42.92 43.84 1swb s ASP 128 CO -0.01 -0.04 -0.18 -0.89 0.21 0.00 0.00 175.17 174.26 1swb s THR 129 N -0.54 1.78 -0.05 -1.27 2.01 -1.26 -0.98 115.64 115.34 1swb s THR 129 Ca -0.03 -0.81 -0.00 0.00 0.31 0.00 0.00 61.69 61.16 1swb s THR 129 Cb -0.04 -1.60 -0.03 0.00 0.01 0.00 0.00 72.50 70.83 1swb s THR 129 CO -0.00 0.50 -0.00 -0.36 -0.69 0.00 0.00 174.62 174.06 1swb s PHE 130 N 0.94 3.12 0.09 4.92 0.40 -0.43 -3.12 117.98 123.91 1swb s PHE 130 Ca -0.06 0.14 0.01 0.00 -0.60 0.00 0.00 56.93 56.42 1swb s PHE 130 Cb -0.15 -1.73 -0.04 0.00 0.51 0.00 0.00 43.02 41.61 1swb s PHE 130 CO -0.03 0.46 -0.04 -0.08 0.70 0.00 0.00 175.22 176.24 1swb s THR 131 N -0.97 0.50 -1.62 0.64 -1.32 -0.42 -1.43 115.64 111.02 1swb s THR 131 Ca 0.16 -1.90 0.29 0.00 -1.21 0.00 0.00 61.69 59.03 1swb s THR 131 Cb -0.11 -1.70 0.45 0.00 -1.51 0.00 0.00 72.50 69.62 1swb s THR 131 CO 0.06 -0.84 1.86 0.29 -2.21 0.00 0.00 174.62 173.78 1swb n LYS 132 N -0.02 0.66 -3.90 7.08 5.02 -1.26 -0.83 118.16 124.91 1swb n LYS 132 Ca -0.12 -0.22 -0.35 0.00 -2.02 0.00 0.00 58.31 55.60 1swb n LYS 132 Cb 0.61 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 34.02 1swb n LYS 132 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1swb s VAL 133 N -2.49 4.78 0.10 -0.18 0.11 -1.26 -4.87 120.40 116.58 1swb s VAL 133 Ca 0.28 -0.03 -0.30 0.00 -2.93 0.00 0.00 61.98 59.00 1swb s VAL 133 Cb 0.20 -3.19 -0.06 0.00 -1.53 0.00 0.00 36.38 31.81 1swb s VAL 133 CO 0.48 0.41 1.08 -0.75 -3.33 0.00 0.00 175.10 172.99 1swb s LYS 134 N 0.76 4.56 0.00 1.54 2.20 -1.26 -4.77 119.74 122.78 1swb s LYS 134 Ca 0.04 1.62 0.30 0.00 -0.36 0.00 0.00 55.97 57.58 1swb s LYS 134 Cb -0.13 -3.35 1.52 0.00 -1.51 0.00 0.00 37.83 34.35 1swb s LYS 134 CO 0.02 -0.02 2.01 -0.35 -0.36 0.00 0.00 175.35 176.65