#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1swh h ILE 17 N 0.00 1.24 -3.31 -0.61 2.04 -1.97 -3.46 117.51 111.44 1swh h ILE 17 Ca 0.00 -2.90 -0.53 0.00 1.00 0.00 0.00 64.86 62.43 1swh h ILE 17 Cb 0.00 2.77 0.08 0.00 -0.74 0.00 0.00 36.82 38.93 1swh h ILE 17 CO 0.00 0.82 0.88 -0.89 0.00 0.00 0.00 178.15 178.96 1swh s THR 18 N -2.63 2.13 -4.79 -0.27 2.01 -1.26 -4.73 115.64 106.10 1swh s THR 18 Ca -0.07 0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.04 1swh s THR 18 Cb 0.07 -3.07 0.00 0.00 0.01 0.00 0.00 72.50 69.51 1swh s THR 18 CO 0.85 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 175.41 1swh n GLY 19 N 2.24 0.96 3.52 4.40 0.00 0.39 -5.00 105.19 111.71 1swh n GLY 19 Ca 0.08 -1.90 -0.34 0.00 0.00 0.00 0.00 46.02 43.87 1swh n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swh s THR 20 N -2.71 3.53 0.02 2.61 2.01 -1.26 -0.85 115.64 118.99 1swh s THR 20 Ca 0.00 -0.53 0.02 0.00 0.31 0.00 0.00 61.69 61.49 1swh s THR 20 Cb 0.00 -2.46 -0.01 0.00 0.01 0.00 0.00 72.50 70.04 1swh s THR 20 CO 0.00 0.57 -0.07 0.26 -0.69 0.00 0.00 174.62 174.69 1swh s TRP 21 N -0.46 0.62 -0.03 4.92 0.52 0.08 -4.64 118.94 119.95 1swh s TRP 21 Ca 0.06 -0.27 0.04 0.00 0.02 0.00 0.00 56.10 55.95 1swh s TRP 21 Cb -0.12 -0.38 -0.00 0.00 -1.15 0.00 0.00 33.47 31.81 1swh s TRP 21 CO 0.02 -0.03 -0.14 0.71 0.02 0.00 0.00 176.95 177.53 1swh s TYR 22 N -0.67 1.34 0.38 -1.98 1.51 -0.83 -0.45 117.35 116.67 1swh s TYR 22 Ca -0.03 -0.33 0.05 0.00 -1.01 0.00 0.00 57.07 55.75 1swh s TYR 22 Cb -0.06 -0.91 0.07 0.00 -0.11 0.00 0.00 41.96 40.95 1swh s TYR 22 CO 0.00 -0.10 0.53 0.27 -1.11 0.00 0.00 175.55 175.14 1swh n ASN 23 N 3.07 1.26 0.00 2.29 6.94 -0.58 -1.69 115.26 126.56 1swh n ASN 23 Ca -0.17 -1.93 0.04 0.00 -0.02 0.00 0.00 54.58 52.50 1swh n ASN 23 Cb 0.54 -0.29 0.26 0.00 -2.36 0.00 0.00 39.78 37.92 1swh n ASN 23 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1swh n GLN 24 N -1.87 0.96 -2.71 -3.83 0.00 -1.24 -3.94 117.38 104.75 1swh n GLN 24 Ca 0.10 0.00 -0.08 0.00 0.00 0.00 0.00 57.00 57.02 1swh n GLN 24 Cb 0.38 -1.14 0.08 0.00 0.00 0.00 0.00 30.24 29.56 1swh n GLN 24 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.06 178.53 1swh n LEU 25 N -0.64 -0.79 0.00 2.61 -0.00 -1.26 -5.02 117.00 111.90 1swh n LEU 25 Ca 0.07 -3.62 0.00 0.00 -0.00 0.00 0.00 56.01 52.45 1swh n LEU 25 Cb 0.03 0.25 0.00 0.00 -0.00 0.00 0.00 43.42 43.70 1swh n LEU 25 CO 0.05 1.82 0.00 0.61 -0.00 0.00 0.00 177.39 179.87 1swh n GLY 26 N -0.32 1.01 3.89 1.47 0.00 -1.25 -5.07 105.19 104.92 1swh n GLY 26 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 1swh n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swh s SER 27 N -1.85 6.44 0.01 1.61 0.01 -1.26 -4.88 113.70 113.78 1swh s SER 27 Ca 0.00 0.94 0.01 0.00 1.31 0.00 0.00 55.95 58.21 1swh s SER 27 Cb 0.00 -2.24 -0.01 0.00 0.21 0.00 0.00 66.02 63.98 1swh s SER 27 CO 0.00 -0.36 -0.02 -0.89 0.41 0.00 0.00 173.24 172.37 1swh s THR 28 N -2.35 0.16 0.01 1.44 2.01 -0.39 -1.52 115.64 115.01 1swh s THR 28 Ca 0.48 -0.31 0.00 0.00 0.31 0.00 0.00 61.69 62.16 1swh s THR 28 Cb -0.10 -0.19 -0.01 0.00 0.01 0.00 0.00 72.50 72.21 1swh s THR 28 CO 0.33 -0.10 -0.02 0.72 -0.69 0.00 0.00 174.62 174.87 1swh s PHE 29 N -0.42 0.16 -0.22 4.92 -0.12 0.41 -1.75 117.98 120.96 1swh s PHE 29 Ca -0.03 -0.31 -0.05 0.00 -0.05 0.00 0.00 56.93 56.49 1swh s PHE 29 Cb -0.03 -0.11 -0.02 0.00 -0.63 0.00 0.00 43.02 42.22 1swh s PHE 29 CO -0.00 -0.11 -0.00 0.42 -0.05 0.00 0.00 175.22 175.47 1swh s ILE 30 N -0.85 3.78 0.02 -4.49 1.01 -0.31 -0.74 121.20 119.62 1swh s ILE 30 Ca -0.09 -0.36 0.06 0.00 0.00 0.00 0.00 60.65 60.25 1swh s ILE 30 Cb -0.06 -2.72 -0.02 0.00 0.01 0.00 0.00 42.46 39.67 1swh s ILE 30 CO -0.01 0.41 -0.18 0.54 0.00 0.00 0.00 174.94 175.71 1swh s VAL 31 N 1.31 1.41 -0.18 2.92 0.11 -0.03 -1.07 120.40 124.87 1swh s VAL 31 Ca 0.04 -0.98 -0.02 0.00 -2.93 0.00 0.00 61.98 58.09 1swh s VAL 31 Cb -0.15 -1.22 -0.01 0.00 -1.53 0.00 0.00 36.38 33.48 1swh s VAL 31 CO 0.00 0.21 -0.10 -0.89 -3.33 0.00 0.00 175.10 171.00 1swh s THR 32 N -0.67 3.10 -0.54 5.04 2.01 0.10 -0.46 115.64 124.22 1swh s THR 32 Ca 0.06 -0.61 -0.20 0.00 0.31 0.00 0.00 61.69 61.24 1swh s THR 32 Cb -0.08 -2.35 0.06 0.00 0.01 0.00 0.00 72.50 70.14 1swh s THR 32 CO 0.01 0.48 0.72 0.00 -0.69 0.00 0.00 174.62 175.14 1swh s ALA 33 N 0.95 3.33 0.63 7.40 0.00 -1.26 -0.95 121.76 131.85 1swh s ALA 33 Ca -0.02 -1.76 -0.12 0.00 0.00 0.00 0.00 51.96 50.06 1swh s ALA 33 Cb -0.15 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.45 1swh s ALA 33 CO -0.01 -2.21 1.04 0.20 0.00 0.00 0.00 175.76 174.79 1swh s GLY 34 N 2.99 1.79 0.52 0.00 0.00 -0.29 -4.90 107.32 107.42 1swh s GLY 34 Ca 0.18 0.08 0.19 0.00 0.00 0.00 0.00 44.72 45.16 1swh s GLY 34 CO 0.12 0.37 2.13 0.00 0.00 0.00 0.00 173.10 175.71 1swh h ALA 35 N -0.16 1.78 -0.36 3.20 0.00 -1.99 -2.13 119.26 119.60 1swh h ALA 35 Ca -0.45 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1swh h ALA 35 Cb 1.20 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1swh h ALA 35 CO 0.59 0.07 0.00 -0.40 0.00 0.00 0.00 179.25 179.51 1swh n ASP 36 N -4.28 3.82 0.00 0.00 5.75 -1.26 -4.89 116.55 115.68 1swh n ASP 36 Ca -0.03 -2.54 0.00 0.00 -0.01 0.00 0.00 54.79 52.22 1swh n ASP 36 Cb 0.14 -0.60 0.00 0.00 -1.03 0.00 0.00 41.12 39.63 1swh n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1swh n GLY 37 N 0.43 0.76 3.82 6.12 0.00 -0.80 -5.00 105.19 110.52 1swh n GLY 37 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 1swh n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swh s ALA 38 N -2.72 3.09 -0.13 4.61 0.00 -1.26 -1.12 121.76 124.24 1swh s ALA 38 Ca 0.00 0.34 0.01 0.00 0.00 0.00 0.00 51.96 52.31 1swh s ALA 38 Cb 0.00 -3.08 0.02 0.00 0.00 0.00 0.00 23.12 20.05 1swh s ALA 38 CO 0.00 0.17 -0.14 -0.51 0.00 0.00 0.00 175.76 175.27 1swh s LEU 39 N -3.12 1.68 0.04 0.00 1.02 0.30 -1.14 118.68 117.47 1swh s LEU 39 Ca 0.60 -0.45 0.02 0.00 0.02 0.00 0.00 54.13 54.32 1swh s LEU 39 Cb -0.09 -1.13 -0.02 0.00 0.02 0.00 0.00 46.19 44.96 1swh s LEU 39 CO 0.14 -0.03 -0.08 0.42 0.02 0.00 0.00 176.35 176.83 1swh s THR 40 N 1.28 0.53 -1.92 5.49 -4.23 -0.13 -1.28 115.64 115.39 1swh s THR 40 Ca 0.00 -0.97 0.00 0.00 -1.18 0.00 0.00 61.69 59.55 1swh s THR 40 Cb -0.14 -0.58 0.00 0.00 1.34 0.00 0.00 72.50 73.13 1swh s THR 40 CO -0.07 -0.31 0.00 0.61 -0.54 0.00 0.00 174.62 174.31 1swh n GLY 41 N 1.66 -0.65 3.13 3.99 0.00 -0.83 0.00 105.19 112.49 1swh n GLY 41 Ca -0.21 -0.82 -0.24 0.00 0.00 0.00 0.00 46.02 44.74 1swh n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swh s THR 42 N -3.00 1.29 -0.14 2.61 2.01 -0.23 -0.91 115.64 117.28 1swh s THR 42 Ca 0.00 -0.67 -0.01 0.00 0.31 0.00 0.00 61.69 61.33 1swh s THR 42 Cb 0.00 -1.10 -0.01 0.00 0.01 0.00 0.00 72.50 71.40 1swh s THR 42 CO 0.00 0.37 -0.12 -0.47 -0.69 0.00 0.00 174.62 173.71 1swh s TYR 43 N -0.15 2.83 -0.18 4.92 5.04 0.50 -1.16 117.35 129.16 1swh s TYR 43 Ca 0.01 -0.65 0.01 0.00 -2.44 0.00 0.00 57.07 54.00 1swh s TYR 43 Cb -0.09 -1.87 0.03 0.00 0.35 0.00 0.00 41.96 40.38 1swh s TYR 43 CO 0.01 -0.23 -0.15 -1.21 -1.34 0.00 0.00 175.55 172.63 1swh s GLU 44 N 0.43 2.49 0.15 4.97 2.02 -0.72 0.11 118.70 128.15 1swh s GLU 44 Ca -0.09 -0.76 -0.11 0.00 0.02 0.00 0.00 54.97 54.03 1swh s GLU 44 Cb -0.16 -2.38 -0.03 0.00 0.10 0.00 0.00 34.13 31.67 1swh s GLU 44 CO 0.05 -0.29 1.50 0.77 0.02 0.00 0.00 175.26 177.31 1swh h SER 45 N 7.98 1.00 -3.87 -0.19 0.02 -1.50 -1.02 113.55 115.98 1swh h SER 45 Ca -0.38 -0.44 0.01 0.00 -0.84 0.00 0.00 61.79 60.14 1swh h SER 45 Cb 1.12 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.38 1swh h SER 45 CO 0.55 1.23 -0.82 -0.46 -1.14 0.00 0.00 176.83 176.19 1swh n ASN 49 N -4.09 -7.07 -0.14 3.07 0.23 -1.26 -4.87 115.26 101.12 1swh n ASN 49 Ca -0.01 1.57 0.14 0.00 -0.53 0.00 0.00 54.58 55.74 1swh n ASN 49 Cb 0.51 -4.10 0.61 0.00 -2.08 0.00 0.00 39.78 34.73 1swh n ASN 49 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1swh n ALA 50 N -2.48 2.76 1.32 -2.53 0.00 -1.26 -3.65 120.51 114.67 1swh n ALA 50 Ca -0.00 -0.28 0.14 0.00 0.00 0.00 0.00 53.44 53.29 1swh n ALA 50 Cb 0.41 -1.32 0.49 0.00 0.00 0.00 0.00 19.45 19.03 1swh n ALA 50 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1swh n GLU 51 N -0.85 0.75 -0.38 0.00 0.28 -1.26 -3.33 120.64 115.86 1swh n GLU 51 Ca 0.15 -0.36 0.08 0.00 -0.16 0.00 0.00 57.16 56.88 1swh n GLU 51 Cb 0.28 -1.49 0.24 0.00 1.43 0.00 0.00 31.44 31.89 1swh n GLU 51 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1swh n SER 52 N -0.81 3.63 -4.74 -1.84 7.64 -1.24 -4.80 113.62 111.46 1swh n SER 52 Ca 0.13 -2.95 -0.35 0.00 1.01 0.00 0.00 58.87 56.71 1swh n SER 52 Cb 0.31 -0.51 -0.08 0.00 -1.01 0.00 0.00 64.21 62.93 1swh n SER 52 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1swh s ARG 53 N -2.70 3.78 0.06 1.43 0.52 -1.21 -1.34 118.95 119.50 1swh s ARG 53 Ca 0.39 -0.25 0.02 0.00 -0.52 0.00 0.00 55.73 55.37 1swh s ARG 53 Cb 0.32 -3.22 -0.03 0.00 0.52 0.00 0.00 34.95 32.53 1swh s ARG 53 CO 0.09 0.47 -0.08 0.71 0.02 0.00 0.00 175.30 176.51 1swh s TYR 54 N -0.17 0.77 0.21 -0.53 2.02 0.30 -4.79 117.35 115.17 1swh s TYR 54 Ca 0.09 -0.59 -0.30 0.00 -0.37 0.00 0.00 57.07 55.90 1swh s TYR 54 Cb -0.12 -0.45 -0.09 0.00 -0.40 0.00 0.00 41.96 40.90 1swh s TYR 54 CO 0.01 -0.08 1.24 0.08 -1.57 0.00 0.00 175.55 175.22 1swh s VAL 55 N -1.91 3.35 -0.06 0.71 1.01 -1.26 -0.37 120.40 121.87 1swh s VAL 55 Ca -0.04 1.17 0.04 0.00 0.00 0.00 0.00 61.98 63.15 1swh s VAL 55 Cb -0.06 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.55 1swh s VAL 55 CO -0.01 0.20 -0.17 -1.48 0.00 0.00 0.00 175.10 173.64 1swh s LEU 56 N -0.46 2.53 0.01 3.92 0.05 -0.08 -4.37 118.68 120.28 1swh s LEU 56 Ca 0.53 -0.31 -0.03 0.00 0.05 0.00 0.00 54.13 54.37 1swh s LEU 56 Cb -0.35 -1.50 -0.01 0.00 -2.05 0.00 0.00 46.19 42.28 1swh s LEU 56 CO 0.39 0.30 0.05 0.28 -0.55 0.00 0.00 176.35 176.82 1swh s THR 57 N -0.44 0.10 0.01 5.48 -1.32 -0.99 -1.97 115.64 116.51 1swh s THR 57 Ca 0.05 -0.81 -0.06 0.00 -1.21 0.00 0.00 61.69 59.66 1swh s THR 57 Cb -0.12 -0.35 0.02 0.00 -1.51 0.00 0.00 72.50 70.54 1swh s THR 57 CO 0.02 -0.45 0.28 0.61 -2.21 0.00 0.00 174.62 172.87 1swh n GLY 58 N 1.52 0.71 3.03 6.08 0.00 -0.41 -0.37 105.19 115.74 1swh n GLY 58 Ca -0.23 -0.91 -0.10 0.00 0.00 0.00 0.00 46.02 44.78 1swh n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1swh s ARG 59 N -2.01 0.38 0.07 1.61 1.81 -0.85 -0.53 118.95 119.43 1swh s ARG 59 Ca 0.06 -0.56 -0.09 0.00 -1.72 0.00 0.00 55.73 53.42 1swh s ARG 59 Cb -0.00 0.14 0.00 0.00 -0.45 0.00 0.00 34.95 34.64 1swh s ARG 59 CO 0.00 -0.07 0.20 1.52 -0.68 0.00 0.00 175.30 176.27 1swh s TYR 60 N -1.53 0.10 -0.55 -0.53 1.13 -0.27 -1.67 117.35 114.03 1swh s TYR 60 Ca -0.15 -0.45 -0.28 0.00 -1.41 0.00 0.00 57.07 54.79 1swh s TYR 60 Cb -0.09 -0.04 0.00 0.00 -1.10 0.00 0.00 41.96 40.74 1swh s TYR 60 CO -0.00 -0.51 1.56 0.34 -2.51 0.00 0.00 175.55 174.42 1swh s ASP 61 N -2.57 5.91 0.00 -0.18 2.15 -0.04 -4.60 116.67 117.34 1swh s ASP 61 Ca 0.01 0.40 0.18 0.00 0.43 0.00 0.00 52.55 53.58 1swh s ASP 61 Cb 0.03 -2.54 1.10 0.00 -0.30 0.00 0.00 42.92 41.21 1swh s ASP 61 CO -0.08 -1.86 1.67 -1.54 -0.17 0.00 0.00 175.17 173.19 1swh n SER 62 N 10.35 0.00 -3.03 -0.34 3.41 -1.26 -3.93 113.62 118.81 1swh n SER 62 Ca 0.15 -1.31 -0.17 0.00 -0.26 0.00 0.00 58.87 57.28 1swh n SER 62 Cb 0.49 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.43 1swh n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1swh n ALA 63 N -0.81 1.05 -1.69 7.33 0.00 -1.26 -5.02 120.51 120.12 1swh n ALA 63 Ca 0.14 -2.70 -0.29 0.00 0.00 0.00 0.00 53.44 50.59 1swh n ALA 63 Cb 0.06 -1.00 0.11 0.00 0.00 0.00 0.00 19.45 18.62 1swh n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1swh s PRO 64 N -0.83 1.61 0.55 0.00 0.04 -1.25 -5.02 135.00 130.09 1swh s PRO 64 Ca 0.34 0.26 -0.20 0.00 0.04 0.00 0.00 61.00 61.44 1swh s PRO 64 Cb 0.24 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.83 1swh s PRO 64 CO -0.13 -1.87 1.17 0.00 0.04 0.00 0.00 177.00 176.21 1swh s ALA 65 N -3.38 2.69 -0.46 8.56 0.00 -1.26 -4.98 121.76 122.92 1swh s ALA 65 Ca 0.63 0.92 0.04 0.00 0.00 0.00 0.00 51.96 53.54 1swh s ALA 65 Cb -0.13 -3.40 0.44 0.00 0.00 0.00 0.00 23.12 20.03 1swh s ALA 65 CO 0.52 -0.91 1.44 0.25 0.00 0.00 0.00 175.76 177.06 1swh n THR 66 N -1.27 2.84 -0.53 0.00 -2.24 -1.26 -4.56 114.28 107.26 1swh n THR 66 Ca 0.12 -4.08 0.06 0.00 -2.27 0.00 0.00 64.05 57.88 1swh n THR 66 Cb 0.50 -1.18 0.16 0.00 -2.10 0.00 0.00 70.33 67.71 1swh n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1swh n ASP 67 N -0.70 3.02 0.00 3.42 5.75 -1.26 -4.93 116.55 121.85 1swh n ASP 67 Ca 0.48 -2.47 0.00 0.00 -0.01 0.00 0.00 54.79 52.79 1swh n ASP 67 Cb 0.77 -0.32 0.00 0.00 -1.03 0.00 0.00 41.12 40.54 1swh n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1swh n GLY 68 N -0.24 0.50 3.79 6.12 0.00 -1.26 -5.07 105.19 109.03 1swh n GLY 68 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 1swh n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swh s SER 69 N -2.33 6.36 1.13 1.61 0.01 -1.26 -5.05 113.70 114.17 1swh s SER 69 Ca 0.00 2.03 -0.18 0.00 1.31 0.00 0.00 55.95 59.11 1swh s SER 69 Cb 0.00 -2.57 0.26 0.00 0.21 0.00 0.00 66.02 63.91 1swh s SER 69 CO 0.00 -0.77 1.14 0.61 0.41 0.00 0.00 173.24 174.63 1swh n GLY 70 N 0.04 -2.19 3.42 3.44 0.00 -1.26 -4.84 105.19 103.81 1swh n GLY 70 Ca 0.08 -1.59 -0.36 0.00 0.00 0.00 0.00 46.02 44.16 1swh n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swh s THR 71 N -3.28 4.03 0.22 2.61 2.01 -0.42 -4.80 115.64 116.00 1swh s THR 71 Ca 0.69 -0.27 -0.30 0.00 0.31 0.00 0.00 61.69 62.12 1swh s THR 71 Cb -0.04 -2.86 -0.09 0.00 0.01 0.00 0.00 72.50 69.52 1swh s THR 71 CO 0.51 0.38 1.32 0.00 -0.69 0.00 0.00 174.62 176.15 1swh s ALA 72 N 1.38 3.54 0.22 7.40 0.00 -1.26 -1.02 121.76 132.01 1swh s ALA 72 Ca 0.05 1.15 -0.14 0.00 0.00 0.00 0.00 51.96 53.01 1swh s ALA 72 Cb -0.15 -3.49 0.01 0.00 0.00 0.00 0.00 23.12 19.49 1swh s ALA 72 CO 0.02 -0.57 0.47 -0.48 0.00 0.00 0.00 175.76 175.20 1swh s LEU 73 N -0.33 0.32 -0.01 0.00 2.34 -0.83 -0.86 118.68 119.32 1swh s LEU 73 Ca 0.56 -0.75 -0.29 0.00 0.06 0.00 0.00 54.13 53.71 1swh s LEU 73 Cb -0.37 1.84 0.07 0.00 -0.56 0.00 0.00 46.19 47.17 1swh s LEU 73 CO 0.40 -1.08 0.66 -0.83 -1.06 0.00 0.00 176.35 174.44 1swh s GLY 74 N -2.95 -0.58 0.18 -3.48 0.00 -0.67 -1.52 107.32 98.29 1swh s GLY 74 Ca 0.16 1.12 -0.10 0.00 0.00 0.00 0.00 44.72 45.90 1swh s GLY 74 CO 0.03 0.77 0.34 0.66 0.00 0.00 0.00 173.10 174.90 1swh s TRP 75 N -1.73 0.35 -0.04 1.90 -2.14 -0.21 -2.01 118.94 115.06 1swh s TRP 75 Ca -0.08 -0.71 0.05 0.00 2.66 0.00 0.00 56.10 58.01 1swh s TRP 75 Cb -0.00 0.02 -0.01 0.00 -3.10 0.00 0.00 33.47 30.38 1swh s TRP 75 CO 0.05 -0.78 -0.18 0.99 -2.66 0.00 0.00 176.95 174.37 1swh s THR 76 N -3.97 1.51 -0.14 0.66 2.01 0.50 -1.04 115.64 115.18 1swh s THR 76 Ca 0.18 -0.77 0.02 0.00 0.31 0.00 0.00 61.69 61.43 1swh s THR 76 Cb 0.02 -1.29 0.01 0.00 0.01 0.00 0.00 72.50 71.26 1swh s THR 76 CO 0.01 0.43 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.48 1swh s VAL 77 N -0.06 1.93 -0.19 3.82 1.01 -0.10 -2.35 120.40 124.47 1swh s VAL 77 Ca -0.02 -0.90 -0.20 0.00 0.00 0.00 0.00 61.98 60.87 1swh s VAL 77 Cb -0.11 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 1swh s VAL 77 CO 0.02 0.52 0.57 0.00 0.00 0.00 0.00 175.10 176.22 1swh s ALA 78 N 0.92 3.53 -0.73 5.51 0.00 -1.26 -0.64 121.76 129.10 1swh s ALA 78 Ca -0.05 -0.32 -0.06 0.00 0.00 0.00 0.00 51.96 51.53 1swh s ALA 78 Cb -0.15 -2.88 -0.05 0.00 0.00 0.00 0.00 23.12 20.04 1swh s ALA 78 CO -0.03 -0.47 2.98 1.19 0.00 0.00 0.00 175.76 179.43 1swh n PHE 79 N 4.83 1.50 -4.87 0.00 3.72 -0.17 -4.73 117.46 117.74 1swh n PHE 79 Ca -0.03 -2.21 -0.28 0.00 -0.05 0.00 0.00 57.45 54.88 1swh n PHE 79 Cb 0.50 -1.75 -0.17 0.00 -0.94 0.00 0.00 39.48 37.13 1swh n PHE 79 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1swh s LYS 80 N -0.09 2.18 0.00 -1.08 2.20 -1.26 -0.96 119.74 120.73 1swh s LYS 80 Ca 0.62 -0.62 0.00 0.00 -0.36 0.00 0.00 55.97 55.61 1swh s LYS 80 Cb 0.29 -1.75 0.00 0.00 -1.51 0.00 0.00 37.83 34.86 1swh s LYS 80 CO -0.10 0.14 0.00 0.27 -0.36 0.00 0.00 175.35 175.30 1swh n ASN 81 N 3.53 0.28 0.00 1.43 0.23 -0.25 -4.80 115.26 115.68 1swh n ASN 81 Ca -0.20 -0.99 0.10 0.00 -0.53 0.00 0.00 54.58 52.96 1swh n ASN 81 Cb 0.52 0.00 0.59 0.00 -2.08 0.00 0.00 39.78 38.81 1swh n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1swh n ASN 82 N -2.70 0.00 -0.00 0.53 3.02 -1.26 -3.30 115.26 111.55 1swh n ASN 82 Ca 0.00 -1.17 -0.00 0.00 -0.03 0.00 0.00 54.58 53.38 1swh n ASN 82 Cb 0.00 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.16 1swh n ASN 82 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1swh n TYR 83 N -0.85 0.00 -3.53 3.10 4.01 -1.26 -5.09 117.16 113.54 1swh n TYR 83 Ca 0.15 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.78 1swh n TYR 83 Cb 0.07 -0.04 -0.02 0.00 -0.31 0.00 0.00 39.34 39.04 1swh n TYR 83 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1swh s ARG 84 N -2.05 1.37 -0.20 -0.72 3.03 -1.21 -5.15 118.95 114.03 1swh s ARG 84 Ca -0.00 -0.58 -0.04 0.00 2.03 0.00 0.00 55.73 57.14 1swh s ARG 84 Cb 0.00 0.58 0.10 0.00 -1.03 0.00 0.00 34.95 34.61 1swh s ARG 84 CO 0.04 -0.61 0.31 1.21 -1.13 0.00 0.00 175.30 175.13 1swh s ASN 85 N -2.78 0.50 0.00 -2.89 3.84 -1.26 -1.09 114.94 111.27 1swh s ASN 85 Ca 0.04 0.29 0.26 0.00 0.21 0.00 0.00 52.86 53.66 1swh s ASN 85 Cb -0.02 0.86 0.92 0.00 -0.55 0.00 0.00 41.25 42.46 1swh s ASN 85 CO -0.08 -0.28 1.67 0.00 -2.79 0.00 0.00 177.10 175.61 1swh n ALA 86 N 5.35 2.55 -3.89 1.71 0.00 -0.13 -4.94 120.51 121.16 1swh n ALA 86 Ca -0.05 -0.49 -0.26 0.00 0.00 0.00 0.00 53.44 52.64 1swh n ALA 86 Cb 0.50 -1.12 -0.01 0.00 0.00 0.00 0.00 19.45 18.82 1swh n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1swh n HIS 87 N 0.30 -1.70 -3.57 0.00 8.25 -1.26 -4.87 115.22 112.37 1swh n HIS 87 Ca 0.18 0.70 -0.17 0.00 -0.26 0.00 0.00 57.72 58.17 1swh n HIS 87 Cb 0.37 -3.74 -0.07 0.00 1.12 0.00 0.00 29.99 27.68 1swh n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1swh s SER 88 N -4.22 -0.56 0.04 0.41 1.04 -1.26 -1.57 113.70 107.58 1swh s SER 88 Ca 0.08 0.60 0.05 0.00 0.48 0.00 0.00 55.95 57.17 1swh s SER 88 Cb -0.03 0.51 -0.02 0.00 0.10 0.00 0.00 66.02 66.58 1swh s SER 88 CO 0.88 -0.57 -0.15 0.00 0.98 0.00 0.00 173.24 174.38 1swh s ALA 89 N -1.18 1.27 -0.02 5.32 0.00 -0.22 -1.00 121.76 125.93 1swh s ALA 89 Ca -0.11 -0.87 0.06 0.00 0.00 0.00 0.00 51.96 51.04 1swh s ALA 89 Cb -0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 23.12 22.89 1swh s ALA 89 CO 0.09 0.25 -0.21 0.99 0.00 0.00 0.00 175.76 176.87 1swh s THR 90 N -0.85 1.68 -0.05 0.00 2.01 0.19 -0.32 115.64 118.30 1swh s THR 90 Ca 0.02 -0.90 0.06 0.00 0.31 0.00 0.00 61.69 61.19 1swh s THR 90 Cb -0.08 -1.40 -0.01 0.00 0.01 0.00 0.00 72.50 71.02 1swh s THR 90 CO 0.01 0.48 -0.25 0.42 -0.69 0.00 0.00 174.62 174.59 1swh s THR 91 N -0.41 2.01 -0.13 -0.82 -4.23 -0.31 -0.92 115.64 110.83 1swh s THR 91 Ca 0.06 -1.05 -0.01 0.00 -1.18 0.00 0.00 61.69 59.51 1swh s THR 91 Cb -0.09 -1.70 -0.02 0.00 1.34 0.00 0.00 72.50 72.04 1swh s THR 91 CO -0.00 0.56 -0.12 0.26 -0.54 0.00 0.00 174.62 174.78 1swh s TRP 92 N -0.24 2.83 -0.08 3.99 0.51 -0.20 -0.32 118.94 125.43 1swh s TRP 92 Ca -0.01 -0.62 0.02 0.00 -2.12 0.00 0.00 56.10 53.38 1swh s TRP 92 Cb -0.13 -1.86 0.01 0.00 -0.81 0.00 0.00 33.47 30.68 1swh s TRP 92 CO 0.03 -0.20 -0.15 0.45 -0.51 0.00 0.00 176.95 176.57 1swh s SER 93 N 0.37 2.11 0.00 2.95 0.15 -0.50 -1.04 113.70 117.74 1swh s SER 93 Ca -0.10 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.19 1swh s SER 93 Cb -0.16 -0.97 0.00 0.00 -1.71 0.00 0.00 66.02 63.19 1swh s SER 93 CO 0.05 0.05 0.00 0.61 1.20 0.00 0.00 173.24 175.15 1swh n GLY 94 N 3.85 -0.75 3.29 9.45 0.00 -0.58 -1.34 105.19 119.11 1swh n GLY 94 Ca -0.21 -0.34 -0.14 0.00 0.00 0.00 0.00 46.02 45.32 1swh n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1swh s GLN 95 N -0.08 0.65 0.04 1.61 -2.07 -0.21 -1.96 119.66 117.64 1swh s GLN 95 Ca 0.00 0.09 -0.25 0.00 -1.82 0.00 0.00 55.36 53.38 1swh s GLN 95 Cb 0.00 0.30 -0.05 0.00 -1.09 0.00 0.00 33.01 32.17 1swh s GLN 95 CO 0.00 -0.16 0.77 -0.47 -1.32 0.00 0.00 175.29 174.11 1swh s TYR 96 N -0.84 3.72 -0.16 9.60 5.04 -0.19 -0.65 117.35 133.86 1swh s TYR 96 Ca -0.09 1.47 -0.00 0.00 -2.44 0.00 0.00 57.07 56.00 1swh s TYR 96 Cb -0.04 -2.83 0.04 0.00 0.35 0.00 0.00 41.96 39.48 1swh s TYR 96 CO 0.04 0.25 -0.07 0.08 -1.34 0.00 0.00 175.55 174.51 1swh s VAL 97 N 0.03 1.24 0.00 3.14 1.01 0.22 -1.30 120.40 124.75 1swh s VAL 97 Ca 0.39 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.72 1swh s VAL 97 Cb -0.20 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 34.83 1swh s VAL 97 CO 0.23 0.21 0.00 0.61 0.00 0.00 0.00 175.10 176.15 1swh n GLY 98 N 4.84 -0.80 0.00 4.51 0.00 -1.26 -0.73 105.19 111.75 1swh n GLY 98 Ca -0.13 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.25 1swh n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1swh n GLY 99 N 5.00 0.10 0.24 -0.02 0.00 -1.26 -4.45 105.19 104.80 1swh n GLY 99 Ca 0.00 -2.29 -0.04 0.00 0.00 0.00 0.00 46.02 43.68 1swh n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swh h ALA 100 N 0.00 1.04 -2.32 4.61 0.00 -2.07 -3.28 119.26 117.24 1swh h ALA 100 Ca 0.00 -0.36 -0.77 0.00 0.00 0.00 0.00 54.91 53.78 1swh h ALA 100 Cb 0.00 -0.13 -0.31 0.00 0.00 0.00 0.00 17.79 17.36 1swh h ALA 100 CO 0.00 0.58 0.40 0.39 0.00 0.00 0.00 179.25 180.62 1swh n GLU 101 N -4.11 3.68 -2.59 0.00 1.02 -1.26 -5.04 120.64 112.34 1swh n GLU 101 Ca -0.00 -4.52 -0.37 0.00 -0.02 0.00 0.00 57.16 52.24 1swh n GLU 101 Cb 0.42 -2.49 -0.05 0.00 -0.02 0.00 0.00 31.44 29.31 1swh n GLU 101 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1swh s ALA 102 N -2.01 3.17 0.02 0.62 0.00 -1.24 -4.83 121.76 117.48 1swh s ALA 102 Ca 0.31 0.69 -0.18 0.00 0.00 0.00 0.00 51.96 52.78 1swh s ALA 102 Cb -0.01 -3.26 0.04 0.00 0.00 0.00 0.00 23.12 19.88 1swh s ALA 102 CO -0.01 -0.11 0.41 -0.98 0.00 0.00 0.00 175.76 175.07 1swh s ARG 103 N -2.21 0.86 -0.29 0.00 1.70 0.10 -4.17 118.95 114.94 1swh s ARG 103 Ca 0.54 -0.26 -0.02 0.00 -0.47 0.00 0.00 55.73 55.51 1swh s ARG 103 Cb -0.23 0.39 0.04 0.00 -0.57 0.00 0.00 34.95 34.58 1swh s ARG 103 CO 0.29 -0.28 -0.01 0.42 -1.08 0.00 0.00 175.30 174.64 1swh s ILE 104 N -2.03 3.08 -0.21 4.99 1.01 -0.65 0.72 121.20 128.11 1swh s ILE 104 Ca -0.08 -1.20 -0.12 0.00 0.00 0.00 0.00 60.65 59.25 1swh s ILE 104 Cb -0.02 -2.69 -0.05 0.00 0.01 0.00 0.00 42.46 39.71 1swh s ILE 104 CO 0.01 -0.00 0.23 0.20 0.00 0.00 0.00 174.94 175.37 1swh s ASN 105 N 1.30 6.26 0.14 3.58 0.01 0.17 -1.07 114.94 125.34 1swh s ASN 105 Ca -0.03 0.29 0.02 0.00 -0.71 0.00 0.00 52.86 52.44 1swh s ASN 105 Cb -0.19 -2.14 -0.04 0.00 0.41 0.00 0.00 41.25 39.29 1swh s ASN 105 CO -0.02 0.07 -0.04 0.42 -1.51 0.00 0.00 177.10 176.02 1swh s THR 106 N 0.85 0.74 0.00 1.60 -4.23 0.52 -1.04 115.64 114.08 1swh s THR 106 Ca 0.12 -1.97 0.06 0.00 -1.18 0.00 0.00 61.69 58.72 1swh s THR 106 Cb -0.13 -1.89 -0.03 0.00 1.34 0.00 0.00 72.50 71.79 1swh s THR 106 CO 0.04 -0.68 -0.17 -1.10 -0.54 0.00 0.00 174.62 172.16 1swh s GLN 107 N -3.86 2.24 0.15 3.99 -0.21 -0.45 -0.92 119.66 120.61 1swh s GLN 107 Ca 0.18 -0.87 0.03 0.00 0.02 0.00 0.00 55.36 54.72 1swh s GLN 107 Cb 0.05 -2.25 -0.05 0.00 1.00 0.00 0.00 33.01 31.77 1swh s GLN 107 CO -0.00 0.57 -0.06 1.67 -2.12 0.00 0.00 175.29 175.35 1swh s TRP 108 N -0.83 1.23 -0.12 0.91 1.48 -0.12 -1.40 118.94 120.09 1swh s TRP 108 Ca 0.13 -0.86 0.01 0.00 -1.06 0.00 0.00 56.10 54.32 1swh s TRP 108 Cb -0.10 -0.67 0.02 0.00 -1.16 0.00 0.00 33.47 31.56 1swh s TRP 108 CO 0.03 -0.03 -0.13 -0.51 -4.06 0.00 0.00 176.95 172.25 1swh s LEU 109 N -3.17 1.59 -0.31 -4.66 1.43 0.56 -2.34 118.68 111.78 1swh s LEU 109 Ca 0.19 -0.41 -0.10 0.00 -1.03 0.00 0.00 54.13 52.77 1swh s LEU 109 Cb 0.04 -1.05 -0.01 0.00 0.03 0.00 0.00 46.19 45.20 1swh s LEU 109 CO 0.01 -0.04 0.16 -0.22 0.23 0.00 0.00 176.35 176.49 1swh s LEU 110 N 1.31 4.13 -0.11 1.79 2.96 0.16 -1.16 118.68 127.76 1swh s LEU 110 Ca -0.00 -0.49 0.01 0.00 -0.22 0.00 0.00 54.13 53.42 1swh s LEU 110 Cb -0.14 -2.02 -0.02 0.00 0.50 0.00 0.00 46.19 44.52 1swh s LEU 110 CO -0.06 -0.19 -0.14 -0.89 -1.32 0.00 0.00 176.35 173.75 1swh s THR 111 N 1.63 3.03 0.09 3.68 2.01 0.57 -1.06 115.64 125.59 1swh s THR 111 Ca 0.05 -0.68 0.04 0.00 0.31 0.00 0.00 61.69 61.41 1swh s THR 111 Cb -0.17 -2.25 -0.04 0.00 0.01 0.00 0.00 72.50 70.05 1swh s THR 111 CO 0.07 0.54 0.04 -0.44 -0.69 0.00 0.00 174.62 174.14 1swh s SER 112 N 0.12 5.27 -0.16 3.53 0.01 -0.75 -1.05 113.70 120.67 1swh s SER 112 Ca -0.06 -0.11 -0.29 0.00 1.31 0.00 0.00 55.95 56.80 1swh s SER 112 Cb -0.15 -1.33 -0.04 0.00 0.21 0.00 0.00 66.02 64.71 1swh s SER 112 CO 0.05 0.16 1.71 -0.83 0.41 0.00 0.00 173.24 174.74 1swh s GLY 113 N -2.43 1.24 0.32 3.44 0.00 -0.61 -4.88 107.32 104.42 1swh s GLY 113 Ca 0.28 0.68 0.10 0.00 0.00 0.00 0.00 44.72 45.77 1swh s GLY 113 CO 0.20 3.13 -0.12 -0.51 0.00 0.00 0.00 173.10 175.80 1swh s THR 114 N 5.16 2.26 1.08 0.90 -4.23 -1.26 -5.03 115.64 114.52 1swh s THR 114 Ca 0.76 -2.26 -0.18 0.00 -1.18 0.00 0.00 61.69 58.84 1swh s THR 114 Cb -0.29 -2.53 0.24 0.00 1.34 0.00 0.00 72.50 71.26 1swh s THR 114 CO 0.31 -0.27 1.24 0.42 -0.54 0.00 0.00 174.62 175.78 1swh s THR 115 N -2.61 1.81 0.23 3.99 -4.23 -1.26 -4.88 115.64 108.70 1swh s THR 115 Ca 0.31 0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 60.75 1swh s THR 115 Cb 0.00 -2.78 0.21 0.00 1.34 0.00 0.00 72.50 71.28 1swh s THR 115 CO 0.16 0.00 1.90 -0.33 -0.54 0.00 0.00 174.62 175.81 1swh h GLU 116 N -2.09 1.19 0.00 3.99 4.39 -2.02 -2.63 114.58 117.42 1swh h GLU 116 Ca -0.44 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.18 1swh h GLU 116 Cb 1.26 -0.26 0.00 0.00 -0.10 0.00 0.00 28.75 29.64 1swh h GLU 116 CO 0.35 0.80 0.00 0.00 -1.16 0.00 0.00 179.01 179.00 1swh h ALA 117 N 1.32 1.00 0.00 3.43 0.00 -2.07 -2.86 119.26 120.08 1swh h ALA 117 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1swh h ALA 117 Cb -0.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1swh h ALA 117 CO -0.07 0.00 -0.00 0.09 0.00 0.00 0.00 179.25 179.27 1swh n ASN 118 N -2.62 2.00 0.24 0.00 3.02 -1.03 -4.69 115.26 112.18 1swh n ASN 118 Ca 0.01 -2.05 0.17 0.00 -0.03 0.00 0.00 54.58 52.68 1swh n ASN 118 Cb 0.25 -0.02 0.80 0.00 -0.61 0.00 0.00 39.78 40.19 1swh n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1swh h ALA 119 N 0.00 1.00 -0.13 5.41 0.00 -1.24 -1.70 119.26 122.60 1swh h ALA 119 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1swh h ALA 119 Cb 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1swh h ALA 119 CO 0.00 0.00 -0.36 0.11 0.00 0.00 0.00 179.25 179.00 1swh h TRP 120 N 0.00 0.32 -0.75 0.00 5.08 -1.83 -3.00 115.95 115.76 1swh h TRP 120 Ca 0.00 -0.08 -0.36 0.00 1.08 0.00 0.00 58.89 59.53 1swh h TRP 120 Cb 0.22 -0.07 -0.21 0.00 -3.00 0.00 0.00 29.16 26.09 1swh h TRP 120 CO 0.00 0.61 0.37 0.36 -1.28 0.00 0.00 178.44 178.50 1swh n LYS 121 N -4.06 2.40 0.16 0.12 2.85 -0.64 -4.66 118.16 114.33 1swh n LYS 121 Ca -0.01 -3.07 0.12 0.00 -1.05 0.00 0.00 58.31 54.30 1swh n LYS 121 Cb 0.45 -2.08 0.10 0.00 -0.65 0.00 0.00 35.03 32.85 1swh n LYS 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1swh h SER 122 N 1.30 0.00 -3.28 -5.58 4.64 -1.56 -3.46 113.55 105.61 1swh h SER 122 Ca 0.44 -0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 61.21 1swh h SER 122 Cb 2.41 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 64.12 1swh h SER 122 CO 0.82 0.00 -0.80 -0.89 -0.87 0.00 0.00 176.83 175.10 1swh s THR 123 N -3.28 1.08 0.27 2.95 2.01 -1.26 -1.81 115.64 115.62 1swh s THR 123 Ca 0.04 -0.53 -0.13 0.00 0.31 0.00 0.00 61.69 61.38 1swh s THR 123 Cb 0.07 -1.21 -0.08 0.00 0.01 0.00 0.00 72.50 71.29 1swh s THR 123 CO 0.72 0.20 0.65 -0.76 -0.69 0.00 0.00 174.62 174.74 1swh s LEU 124 N 1.66 4.13 -0.01 4.42 1.43 -0.22 -4.92 118.68 125.15 1swh s LEU 124 Ca 0.02 1.13 0.03 0.00 -1.03 0.00 0.00 54.13 54.28 1swh s LEU 124 Cb -0.14 -3.87 -0.01 0.00 0.03 0.00 0.00 46.19 42.20 1swh s LEU 124 CO -0.08 -0.13 -0.11 0.54 0.23 0.00 0.00 176.35 176.80 1swh s VAL 125 N -1.88 0.92 0.00 -1.59 0.11 -1.26 -0.67 120.40 116.04 1swh s VAL 125 Ca 0.50 -0.49 0.00 0.00 -2.93 0.00 0.00 61.98 59.07 1swh s VAL 125 Cb -0.11 -0.78 0.00 0.00 -1.53 0.00 0.00 36.38 33.96 1swh s VAL 125 CO 0.19 0.27 0.00 0.61 -3.33 0.00 0.00 175.10 172.84 1swh n GLY 126 N 2.91 3.27 3.31 6.54 0.00 -0.99 -4.99 105.19 115.23 1swh n GLY 126 Ca -0.15 -0.85 -0.11 0.00 0.00 0.00 0.00 46.02 44.91 1swh n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1swh s HIS 127 N -2.85 -0.19 -0.08 1.61 -3.43 -1.26 -0.95 115.29 108.14 1swh s HIS 127 Ca 0.00 -0.05 -0.06 0.00 -0.80 0.00 0.00 55.06 54.14 1swh s HIS 127 Cb 0.00 0.21 0.03 0.00 -1.43 0.00 0.00 32.58 31.39 1swh s HIS 127 CO 0.00 -0.64 0.21 -0.51 -2.00 0.00 0.00 174.74 171.80 1swh s ASP 128 N -2.55 -0.22 -0.14 7.38 1.01 -0.09 -4.92 116.67 117.15 1swh s ASP 128 Ca 0.00 0.43 -0.00 0.00 0.71 0.00 0.00 52.55 53.69 1swh s ASP 128 Cb 0.01 0.40 -0.01 0.00 1.01 0.00 0.00 42.92 44.33 1swh s ASP 128 CO -0.09 -0.10 -0.13 -0.89 0.21 0.00 0.00 175.17 174.18 1swh s THR 129 N 0.44 3.06 -0.04 -1.27 2.01 -1.26 -0.35 115.64 118.23 1swh s THR 129 Ca -0.03 -0.65 0.03 0.00 0.31 0.00 0.00 61.69 61.35 1swh s THR 129 Cb -0.04 -2.29 -0.03 0.00 0.01 0.00 0.00 72.50 70.15 1swh s THR 129 CO -0.02 0.52 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.97 1swh s PHE 130 N 0.41 2.84 0.30 4.92 0.40 -0.23 -3.65 117.98 122.97 1swh s PHE 130 Ca -0.10 -0.06 0.05 0.00 -0.60 0.00 0.00 56.93 56.22 1swh s PHE 130 Cb -0.16 -1.65 -0.06 0.00 0.51 0.00 0.00 43.02 41.67 1swh s PHE 130 CO 0.05 0.30 0.00 0.95 0.70 0.00 0.00 175.22 177.22 1swh s THR 131 N -0.85 1.40 -1.45 0.64 -4.23 -0.68 -1.64 115.64 108.83 1swh s THR 131 Ca 0.14 -2.05 0.27 0.00 -1.18 0.00 0.00 61.69 58.86 1swh s THR 131 Cb -0.11 -2.61 0.25 0.00 1.34 0.00 0.00 72.50 71.37 1swh s THR 131 CO 0.03 -0.17 1.64 0.29 -0.54 0.00 0.00 174.62 175.88 1swh n LYS 132 N -0.62 0.49 0.00 3.99 4.76 -1.26 -1.95 118.16 123.56 1swh n LYS 132 Ca -0.04 -0.24 0.00 0.00 -2.87 0.00 0.00 58.31 55.16 1swh n LYS 132 Cb 0.65 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.34 1swh n LYS 132 CO 0.00 0.00 0.00 1.55 -1.37 0.00 0.00 177.40 177.58