#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1swc h ILE 17 N 0.00 1.35 -2.48 -0.61 2.04 -1.98 -3.43 117.51 112.40 1swc h ILE 17 Ca 0.00 -1.98 -0.54 0.00 1.00 0.00 0.00 64.86 63.33 1swc h ILE 17 Cb 0.00 1.96 0.05 0.00 -0.74 0.00 0.00 36.82 38.09 1swc h ILE 17 CO 0.00 0.61 1.02 0.41 0.00 0.00 0.00 178.15 180.19 1swc n THR 18 N -3.90 0.19 -2.41 -0.27 -1.04 -1.26 -4.78 114.28 100.82 1swc n THR 18 Ca -0.04 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 1swc n THR 18 Cb 0.67 -1.96 0.00 0.00 -1.82 0.00 0.00 70.33 67.22 1swc n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1swc n GLY 19 N 4.01 -0.30 3.47 3.41 0.00 -0.83 -5.02 105.19 109.93 1swc n GLY 19 Ca 0.17 -1.48 -0.34 0.00 0.00 0.00 0.00 46.02 44.38 1swc n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swc s THR 20 N -2.71 3.76 0.09 2.61 2.01 -1.26 -2.06 115.64 118.09 1swc s THR 20 Ca 0.00 -0.40 0.09 0.00 0.31 0.00 0.00 61.69 61.69 1swc s THR 20 Cb 0.00 -2.65 -0.03 0.00 0.01 0.00 0.00 72.50 69.83 1swc s THR 20 CO 0.00 0.49 -0.24 0.26 -0.69 0.00 0.00 174.62 174.44 1swc s TRP 21 N 0.45 2.08 -0.01 4.92 0.52 0.12 -4.21 118.94 122.81 1swc s TRP 21 Ca -0.04 -0.40 0.02 0.00 0.02 0.00 0.00 56.10 55.70 1swc s TRP 21 Cb -0.14 -1.17 0.00 0.00 -1.15 0.00 0.00 33.47 31.01 1swc s TRP 21 CO 0.03 0.23 -0.06 0.71 0.02 0.00 0.00 176.95 177.87 1swc s TYR 22 N -1.01 0.64 0.54 -1.98 2.02 0.27 -0.55 117.35 117.28 1swc s TYR 22 Ca 0.10 -0.13 0.07 0.00 -0.37 0.00 0.00 57.07 56.74 1swc s TYR 22 Cb -0.10 -0.45 0.07 0.00 -0.40 0.00 0.00 41.96 41.08 1swc s TYR 22 CO 0.04 -0.04 0.58 0.27 -1.57 0.00 0.00 175.55 174.83 1swc n ASN 23 N 3.12 2.33 0.00 2.29 6.94 -0.83 -0.36 115.26 128.76 1swc n ASN 23 Ca -0.16 -2.63 0.01 0.00 -0.02 0.00 0.00 54.58 51.78 1swc n ASN 23 Cb 0.56 -0.22 0.04 0.00 -2.36 0.00 0.00 39.78 37.80 1swc n ASN 23 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1swc n GLN 24 N -1.97 0.08 0.00 -3.83 6.02 -1.25 -3.58 117.38 112.85 1swc n GLN 24 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 1swc n GLN 24 Cb 0.58 -1.28 0.00 0.00 1.02 0.00 0.00 30.24 30.57 1swc n GLN 24 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 177.06 177.52 1swc n LEU 25 N -0.78 0.00 0.00 1.08 -0.00 -1.26 -5.10 117.00 110.94 1swc n LEU 25 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.02 1swc n LEU 25 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1swc n LEU 25 CO 0.01 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.01 1swc n GLY 26 N 0.00 2.32 2.33 1.47 0.00 -1.23 -5.08 105.19 105.00 1swc n GLY 26 Ca 0.00 -0.73 -0.36 0.00 0.00 0.00 0.00 46.02 44.93 1swc n GLY 26 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1swc n SER 27 N 0.29 -0.43 -4.15 1.61 7.64 -1.26 -4.60 113.62 112.72 1swc n SER 27 Ca 0.00 0.77 -0.23 0.00 1.01 0.00 0.00 58.87 60.42 1swc n SER 27 Cb 0.00 -0.63 -0.15 0.00 -1.01 0.00 0.00 64.21 62.42 1swc n SER 27 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1swc s THR 28 N -0.34 1.26 0.04 0.44 2.01 -0.09 -1.96 115.64 117.00 1swc s THR 28 Ca 0.52 -0.79 0.02 0.00 0.31 0.00 0.00 61.69 61.75 1swc s THR 28 Cb -0.74 -1.07 -0.02 0.00 0.01 0.00 0.00 72.50 70.68 1swc s THR 28 CO 0.38 0.27 -0.07 0.72 -0.69 0.00 0.00 174.62 175.23 1swc s PHE 29 N -0.50 0.60 -0.18 4.92 -0.71 0.29 0.14 117.98 122.53 1swc s PHE 29 Ca 0.05 -0.47 -0.01 0.00 -1.04 0.00 0.00 56.93 55.46 1swc s PHE 29 Cb -0.07 -0.36 -0.00 0.00 -1.21 0.00 0.00 43.02 41.38 1swc s PHE 29 CO 0.00 -0.09 -0.13 0.42 -1.34 0.00 0.00 175.22 174.08 1swc s ILE 30 N -1.30 2.80 0.03 -4.49 1.09 -0.65 0.14 121.20 118.82 1swc s ILE 30 Ca -0.10 -0.71 0.01 0.00 -1.10 0.00 0.00 60.65 58.75 1swc s ILE 30 Cb -0.09 -2.21 -0.02 0.00 -1.06 0.00 0.00 42.46 39.07 1swc s ILE 30 CO 0.00 0.49 -0.06 0.54 -0.10 0.00 0.00 174.94 175.82 1swc s VAL 31 N 1.04 0.35 -0.14 2.92 0.11 -0.87 -0.93 120.40 122.87 1swc s VAL 31 Ca -0.01 -1.03 0.02 0.00 -2.93 0.00 0.00 61.98 58.03 1swc s VAL 31 Cb -0.15 -0.49 0.01 0.00 -1.53 0.00 0.00 36.38 34.22 1swc s VAL 31 CO -0.03 -0.45 -0.21 -0.89 -3.33 0.00 0.00 175.10 170.19 1swc s THR 32 N -1.50 2.17 -0.59 5.04 2.01 0.11 -1.97 115.64 120.91 1swc s THR 32 Ca -0.12 -0.95 -0.20 0.00 0.31 0.00 0.00 61.69 60.73 1swc s THR 32 Cb -0.09 -1.87 0.09 0.00 0.01 0.00 0.00 72.50 70.63 1swc s THR 32 CO -0.00 0.54 0.76 0.00 -0.69 0.00 0.00 174.62 175.23 1swc s ALA 33 N 0.76 3.32 0.61 7.40 0.00 -1.26 -1.78 121.76 130.82 1swc s ALA 33 Ca -0.08 -2.01 -0.15 0.00 0.00 0.00 0.00 51.96 49.72 1swc s ALA 33 Cb -0.16 -3.59 -0.03 0.00 0.00 0.00 0.00 23.12 19.34 1swc s ALA 33 CO -0.01 -2.40 1.05 0.20 0.00 0.00 0.00 175.76 174.61 1swc s GLY 34 N 3.45 2.02 0.47 0.00 0.00 0.30 -4.91 107.32 108.66 1swc s GLY 34 Ca 0.15 0.31 0.19 0.00 0.00 0.00 0.00 44.72 45.37 1swc s GLY 34 CO 0.09 0.62 1.98 0.00 0.00 0.00 0.00 173.10 175.79 1swc h ALA 35 N 0.24 2.22 -0.36 3.20 0.00 -1.97 -1.95 119.26 120.64 1swc h ALA 35 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1swc h ALA 35 Cb 1.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1swc h ALA 35 CO 0.58 -0.37 0.00 -0.40 0.00 0.00 0.00 179.25 179.05 1swc n ASP 36 N -4.44 2.10 0.00 0.00 5.75 -1.26 -4.88 116.55 113.82 1swc n ASP 36 Ca 0.10 -2.05 0.00 0.00 -0.01 0.00 0.00 54.79 52.84 1swc n ASP 36 Cb 0.48 -0.28 0.00 0.00 -1.03 0.00 0.00 41.12 40.29 1swc n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1swc n GLY 37 N 1.01 0.63 3.78 6.12 0.00 -0.73 -5.01 105.19 110.99 1swc n GLY 37 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 1swc n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swc s ALA 38 N -2.49 3.21 -0.13 4.61 0.00 -1.25 -1.31 121.76 124.40 1swc s ALA 38 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 51.96 52.51 1swc s ALA 38 Cb 0.00 -3.19 -0.01 0.00 0.00 0.00 0.00 23.12 19.92 1swc s ALA 38 CO 0.00 0.15 -0.15 -0.51 0.00 0.00 0.00 175.76 175.25 1swc s LEU 39 N -2.05 2.59 -0.02 0.00 1.02 -0.52 -0.54 118.68 119.16 1swc s LEU 39 Ca 0.50 -0.39 0.01 0.00 0.02 0.00 0.00 54.13 54.28 1swc s LEU 39 Cb -0.19 -1.58 0.01 0.00 0.02 0.00 0.00 46.19 44.45 1swc s LEU 39 CO 0.24 0.14 -0.05 0.42 0.02 0.00 0.00 176.35 177.13 1swc s THR 40 N 0.48 0.47 0.00 5.49 -4.23 -0.73 -1.04 115.64 116.08 1swc s THR 40 Ca -0.10 -0.17 0.00 0.00 -1.18 0.00 0.00 61.69 60.23 1swc s THR 40 Cb -0.16 -0.46 0.00 0.00 1.34 0.00 0.00 72.50 73.22 1swc s THR 40 CO 0.05 0.17 0.00 0.61 -0.54 0.00 0.00 174.62 174.91 1swc n GLY 41 N 3.48 0.88 2.82 3.99 0.00 -0.53 0.08 105.19 115.92 1swc n GLY 41 Ca -0.19 -0.45 -0.16 0.00 0.00 0.00 0.00 46.02 45.22 1swc n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swc s THR 42 N -1.58 0.10 -0.15 2.61 2.01 -0.11 -0.96 115.64 117.56 1swc s THR 42 Ca 0.00 0.10 -0.01 0.00 0.31 0.00 0.00 61.69 62.09 1swc s THR 42 Cb 0.00 -0.20 -0.01 0.00 0.01 0.00 0.00 72.50 72.30 1swc s THR 42 CO 0.00 0.11 -0.11 -0.47 -0.69 0.00 0.00 174.62 173.46 1swc s TYR 43 N 0.88 2.85 -0.43 4.92 6.14 0.11 -1.64 117.35 130.17 1swc s TYR 43 Ca -0.08 -0.71 -0.08 0.00 0.64 0.00 0.00 57.07 56.83 1swc s TYR 43 Cb -0.12 -1.90 0.10 0.00 0.42 0.00 0.00 41.96 40.46 1swc s TYR 43 CO -0.02 -0.28 0.28 -2.00 0.64 0.00 0.00 175.55 174.17 1swc s GLU 44 N 0.57 2.49 0.00 4.97 2.12 0.12 -0.05 118.70 128.92 1swc s GLU 44 Ca -0.07 -1.61 0.00 0.00 0.36 0.00 0.00 54.97 53.65 1swc s GLU 44 Cb -0.15 -3.80 0.00 0.00 0.26 0.00 0.00 34.13 30.43 1swc s GLU 44 CO 0.03 -1.05 0.46 -1.13 -0.54 0.00 0.00 175.26 173.04 1swc n SER 45 N 4.87 0.75 0.00 -1.70 3.41 -0.83 -0.91 113.62 119.21 1swc n SER 45 Ca -0.08 -1.67 0.00 0.00 -0.26 0.00 0.00 58.87 56.85 1swc n SER 45 Cb 0.42 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 1swc n SER 45 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1swc n ALA 46 N 0.02 0.00 0.00 7.33 0.00 -1.26 -4.75 120.51 121.85 1swc n ALA 46 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1swc n ALA 46 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.64 1swc n ALA 46 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1swc n GLU 51 N 0.00 0.00 -0.90 0.00 1.02 -1.26 -4.98 120.64 114.52 1swc n GLU 51 Ca 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.18 1swc n GLU 51 Cb 0.00 0.00 0.37 0.00 -0.02 0.00 0.00 31.44 31.79 1swc n GLU 51 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1swc n SER 52 N 0.00 5.41 -4.60 1.62 7.64 -1.26 -4.77 113.62 117.66 1swc n SER 52 Ca 0.00 -2.96 -0.34 0.00 1.01 0.00 0.00 58.87 56.58 1swc n SER 52 Cb 0.00 -0.70 -0.10 0.00 -1.01 0.00 0.00 64.21 62.40 1swc n SER 52 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1swc s ARG 53 N -2.75 3.55 0.09 1.43 0.52 -1.26 -1.97 118.95 118.56 1swc s ARG 53 Ca 0.53 -0.42 0.02 0.00 -0.52 0.00 0.00 55.73 55.34 1swc s ARG 53 Cb 0.41 -2.97 -0.04 0.00 0.52 0.00 0.00 34.95 32.87 1swc s ARG 53 CO 0.15 0.41 -0.08 0.71 0.02 0.00 0.00 175.30 176.51 1swc s TYR 54 N -0.05 0.92 0.14 -0.53 1.51 0.92 -4.77 117.35 115.49 1swc s TYR 54 Ca 0.04 -0.79 -0.30 0.00 -1.01 0.00 0.00 57.07 55.00 1swc s TYR 54 Cb -0.13 -0.52 -0.07 0.00 -0.11 0.00 0.00 41.96 41.13 1swc s TYR 54 CO 0.02 -0.09 1.25 0.08 -1.11 0.00 0.00 175.55 175.69 1swc s VAL 55 N -3.03 3.59 0.07 0.71 1.01 -1.26 0.04 120.40 121.53 1swc s VAL 55 Ca 0.08 1.24 0.08 0.00 0.00 0.00 0.00 61.98 63.38 1swc s VAL 55 Cb 0.01 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 1swc s VAL 55 CO -0.03 0.15 -0.21 -1.48 0.00 0.00 0.00 175.10 173.53 1swc s LEU 56 N 0.36 2.49 -0.04 3.92 0.05 -0.14 -4.43 118.68 120.89 1swc s LEU 56 Ca 0.57 -0.53 -0.06 0.00 0.05 0.00 0.00 54.13 54.15 1swc s LEU 56 Cb -0.33 -1.43 0.01 0.00 -2.05 0.00 0.00 46.19 42.39 1swc s LEU 56 CO 0.34 0.23 0.16 0.28 -0.55 0.00 0.00 176.35 176.81 1swc s THR 57 N -0.96 0.03 0.00 5.48 -1.32 -0.88 -1.45 115.64 116.54 1swc s THR 57 Ca 0.15 -0.22 0.00 0.00 -1.21 0.00 0.00 61.69 60.40 1swc s THR 57 Cb -0.10 -0.30 0.00 0.00 -1.51 0.00 0.00 72.50 70.58 1swc s THR 57 CO 0.06 -0.12 0.00 0.61 -2.21 0.00 0.00 174.62 172.95 1swc n GLY 58 N 2.49 2.17 3.03 6.08 0.00 -0.20 -0.90 105.19 117.85 1swc n GLY 58 Ca -0.16 -0.86 -0.09 0.00 0.00 0.00 0.00 46.02 44.91 1swc n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1swc s ARG 59 N -0.58 0.44 0.13 1.61 1.81 -0.16 -1.44 118.95 120.76 1swc s ARG 59 Ca 0.00 -0.81 -0.08 0.00 -1.72 0.00 0.00 55.73 53.12 1swc s ARG 59 Cb 0.00 0.05 -0.01 0.00 -0.45 0.00 0.00 34.95 34.54 1swc s ARG 59 CO 0.00 -0.05 0.22 1.52 -0.68 0.00 0.00 175.30 176.31 1swc s TYR 60 N -2.13 0.33 -0.71 -0.53 1.13 -0.42 -1.34 117.35 113.68 1swc s TYR 60 Ca -0.08 -0.73 -0.27 0.00 -1.41 0.00 0.00 57.07 54.57 1swc s TYR 60 Cb -0.05 -0.10 0.03 0.00 -1.10 0.00 0.00 41.96 40.74 1swc s TYR 60 CO -0.03 -0.62 1.29 0.34 -2.51 0.00 0.00 175.55 174.03 1swc s ASP 61 N -2.93 6.16 0.00 -0.18 -1.08 -0.57 -4.65 116.67 113.42 1swc s ASP 61 Ca 0.12 -0.34 0.26 0.00 -0.52 0.00 0.00 52.55 52.07 1swc s ASP 61 Cb 0.04 -2.56 1.29 0.00 -1.46 0.00 0.00 42.92 40.24 1swc s ASP 61 CO -0.05 -1.81 1.87 -1.54 0.52 0.00 0.00 175.17 174.15 1swc n SER 62 N 9.40 0.00 -3.21 -0.34 3.41 -1.26 -3.97 113.62 117.65 1swc n SER 62 Ca 0.05 -0.05 -0.24 0.00 -0.26 0.00 0.00 58.87 58.37 1swc n SER 62 Cb 0.49 -0.30 -0.07 0.00 -0.26 0.00 0.00 64.21 64.08 1swc n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1swc n ALA 63 N -1.30 2.62 -1.44 7.33 0.00 -1.26 -5.05 120.51 121.40 1swc n ALA 63 Ca 0.12 -3.58 -0.32 0.00 0.00 0.00 0.00 53.44 49.66 1swc n ALA 63 Cb 0.21 -0.83 0.06 0.00 0.00 0.00 0.00 19.45 18.89 1swc n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1swc s PRO 64 N -1.47 2.67 0.75 0.00 0.04 -1.25 -5.00 135.00 130.74 1swc s PRO 64 Ca 0.36 1.26 -0.15 0.00 0.04 0.00 0.00 61.00 62.51 1swc s PRO 64 Cb 0.18 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.80 1swc s PRO 64 CO -0.10 -1.33 0.96 0.00 0.04 0.00 0.00 177.00 176.58 1swc n ALA 65 N -2.83 -0.38 -1.21 8.56 0.00 -1.26 -4.94 120.51 118.44 1swc n ALA 65 Ca 0.09 -0.24 -0.02 0.00 0.00 0.00 0.00 53.44 53.27 1swc n ALA 65 Cb 0.53 -2.11 0.24 0.00 0.00 0.00 0.00 19.45 18.10 1swc n ALA 65 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1swc n THR 66 N -2.71 2.60 -0.43 0.00 -2.24 -1.26 -4.62 114.28 105.62 1swc n THR 66 Ca 0.13 -2.20 0.10 0.00 -2.27 0.00 0.00 64.05 59.81 1swc n THR 66 Cb 0.50 -0.32 0.30 0.00 -2.10 0.00 0.00 70.33 68.70 1swc n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1swc n ASP 67 N -0.77 3.98 0.00 3.42 5.68 -1.26 -4.89 116.55 122.71 1swc n ASP 67 Ca 0.33 -2.16 0.00 0.00 -0.50 0.00 0.00 54.79 52.46 1swc n ASP 67 Cb 1.12 -0.47 0.00 0.00 -1.14 0.00 0.00 41.12 40.63 1swc n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1swc n GLY 68 N 1.20 0.67 3.79 6.12 0.00 -1.26 -5.08 105.19 110.63 1swc n GLY 68 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 1swc n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swc s SER 69 N -1.99 6.16 0.97 1.61 0.01 -1.26 -5.05 113.70 114.15 1swc s SER 69 Ca 0.00 2.00 -0.15 0.00 1.31 0.00 0.00 55.95 59.12 1swc s SER 69 Cb 0.00 -2.57 0.18 0.00 0.21 0.00 0.00 66.02 63.84 1swc s SER 69 CO 0.00 -0.91 1.19 -0.83 0.41 0.00 0.00 173.24 173.10 1swc s GLY 70 N -1.92 1.64 -0.32 3.44 0.00 -1.26 -4.83 107.32 104.07 1swc s GLY 70 Ca 0.69 -0.82 -0.10 0.00 0.00 0.00 0.00 44.72 44.49 1swc s GLY 70 CO 0.22 -0.14 0.17 -1.59 0.00 0.00 0.00 173.10 171.76 1swc s THR 71 N -3.43 4.64 0.31 0.90 2.01 0.48 -4.82 115.64 115.73 1swc s THR 71 Ca 0.68 -0.47 -0.29 0.00 0.31 0.00 0.00 61.69 61.92 1swc s THR 71 Cb -0.10 -3.40 -0.10 0.00 0.01 0.00 0.00 72.50 68.91 1swc s THR 71 CO 0.53 0.02 1.23 0.00 -0.69 0.00 0.00 174.62 175.71 1swc s ALA 72 N 1.61 3.46 0.29 7.40 0.00 -1.26 0.14 121.76 133.41 1swc s ALA 72 Ca 0.04 1.12 -0.17 0.00 0.00 0.00 0.00 51.96 52.95 1swc s ALA 72 Cb -0.17 -3.42 0.02 0.00 0.00 0.00 0.00 23.12 19.54 1swc s ALA 72 CO 0.07 -0.46 0.66 -0.48 0.00 0.00 0.00 175.76 175.55 1swc s LEU 73 N -1.60 -0.00 -0.05 0.00 -0.00 -0.17 -1.52 118.68 115.34 1swc s LEU 73 Ca 0.47 -0.83 -0.29 0.00 -0.00 0.00 0.00 54.13 53.48 1swc s LEU 73 Cb -0.37 2.45 0.09 0.00 -0.00 0.00 0.00 46.19 48.36 1swc s LEU 73 CO 0.48 -1.36 0.80 -0.83 -0.00 0.00 0.00 176.35 175.44 1swc s GLY 74 N -2.99 -0.47 0.15 -3.48 0.00 -0.45 -1.13 107.32 98.95 1swc s GLY 74 Ca 0.16 1.41 -0.13 0.00 0.00 0.00 0.00 44.72 46.16 1swc s GLY 74 CO 0.09 0.81 0.35 0.66 0.00 0.00 0.00 173.10 175.01 1swc s TRP 75 N -1.71 0.06 0.03 1.90 -2.14 -0.45 -0.99 118.94 115.64 1swc s TRP 75 Ca -0.05 -0.42 0.06 0.00 2.66 0.00 0.00 56.10 58.36 1swc s TRP 75 Cb -0.00 0.14 -0.02 0.00 -3.10 0.00 0.00 33.47 30.48 1swc s TRP 75 CO 0.02 -0.73 -0.19 0.99 -2.66 0.00 0.00 176.95 174.39 1swc s THR 76 N -3.88 1.49 -0.09 0.66 2.01 -0.08 -1.10 115.64 114.66 1swc s THR 76 Ca 0.09 -1.09 -0.00 0.00 0.31 0.00 0.00 61.69 61.00 1swc s THR 76 Cb 0.02 -1.30 0.02 0.00 0.01 0.00 0.00 72.50 71.26 1swc s THR 76 CO -0.06 0.18 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.31 1swc s VAL 77 N -0.76 0.78 -0.15 3.82 1.01 -0.36 -2.06 120.40 122.68 1swc s VAL 77 Ca 0.06 -0.17 -0.17 0.00 0.00 0.00 0.00 61.98 61.70 1swc s VAL 77 Cb -0.08 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 1swc s VAL 77 CO 0.01 0.32 0.43 0.00 0.00 0.00 0.00 175.10 175.86 1swc s ALA 78 N 1.56 3.52 -1.36 5.51 0.00 -1.26 0.05 121.76 129.78 1swc s ALA 78 Ca 0.01 -0.32 -0.08 0.00 0.00 0.00 0.00 51.96 51.57 1swc s ALA 78 Cb -0.13 -2.61 -0.04 0.00 0.00 0.00 0.00 23.12 20.35 1swc s ALA 78 CO -0.05 -0.07 2.84 0.91 0.00 0.00 0.00 175.76 179.40 1swc n TRP 79 N 3.88 2.24 -4.24 0.00 7.02 0.52 -4.75 117.44 122.11 1swc n TRP 79 Ca -0.08 -2.84 -0.20 0.00 -1.02 0.00 0.00 57.50 53.36 1swc n TRP 79 Cb 0.51 -2.18 -0.16 0.00 -2.42 0.00 0.00 31.31 27.06 1swc n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1swc s LYS 80 N 0.92 0.92 0.14 -0.99 2.20 -1.26 -1.89 119.74 119.77 1swc s LYS 80 Ca 0.65 -0.16 0.02 0.00 -0.36 0.00 0.00 55.97 56.11 1swc s LYS 80 Cb 0.20 -0.88 -0.01 0.00 -1.51 0.00 0.00 37.83 35.64 1swc s LYS 80 CO -0.07 -0.04 0.07 0.27 -0.36 0.00 0.00 175.35 175.22 1swc n ASN 81 N 3.89 0.62 0.00 1.43 0.23 -0.60 -4.76 115.26 116.07 1swc n ASN 81 Ca -0.24 -1.77 0.13 0.00 -0.53 0.00 0.00 54.58 52.17 1swc n ASN 81 Cb 0.51 0.44 0.73 0.00 -2.08 0.00 0.00 39.78 39.39 1swc n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1swc n ASN 82 N -2.09 0.00 -0.02 0.53 4.13 -1.26 -3.40 115.26 113.15 1swc n ASN 82 Ca -0.00 -0.68 0.04 0.00 1.68 0.00 0.00 54.58 55.61 1swc n ASN 82 Cb 0.21 -0.05 -0.09 0.00 -1.54 0.00 0.00 39.78 38.32 1swc n ASN 82 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1swc n TYR 83 N -1.05 0.00 -3.70 3.10 4.01 -1.26 -5.05 117.16 113.21 1swc n TYR 83 Ca 0.18 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.82 1swc n TYR 83 Cb 0.10 -0.34 -0.04 0.00 -0.31 0.00 0.00 39.34 38.76 1swc n TYR 83 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1swc s ARG 84 N -2.71 1.34 -0.20 -0.72 3.03 -1.22 -5.14 118.95 113.32 1swc s ARG 84 Ca -0.05 -0.82 -0.04 0.00 2.03 0.00 0.00 55.73 56.86 1swc s ARG 84 Cb 0.07 0.52 0.10 0.00 -1.03 0.00 0.00 34.95 34.61 1swc s ARG 84 CO 0.49 -0.56 0.34 1.21 -1.13 0.00 0.00 175.30 175.65 1swc s ASN 85 N -2.86 0.34 0.00 -2.89 2.47 -1.26 -1.55 114.94 109.19 1swc s ASN 85 Ca 0.08 0.39 0.25 0.00 0.42 0.00 0.00 52.86 54.00 1swc s ASN 85 Cb -0.01 0.97 0.51 0.00 -1.45 0.00 0.00 41.25 41.27 1swc s ASN 85 CO -0.05 -0.28 1.44 0.00 -3.72 0.00 0.00 177.10 174.49 1swc n ALA 86 N 5.36 2.49 -3.67 1.71 0.00 -0.79 -4.98 120.51 120.63 1swc n ALA 86 Ca -0.05 -0.64 -0.23 0.00 0.00 0.00 0.00 53.44 52.52 1swc n ALA 86 Cb 0.50 -0.94 0.03 0.00 0.00 0.00 0.00 19.45 19.04 1swc n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1swc n HIS 87 N 0.95 -1.94 -3.56 0.00 8.25 -1.26 -4.85 115.22 112.81 1swc n HIS 87 Ca 0.16 0.75 -0.11 0.00 -0.26 0.00 0.00 57.72 58.26 1swc n HIS 87 Cb 0.51 -4.09 -0.03 0.00 1.12 0.00 0.00 29.99 27.49 1swc n HIS 87 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1swc s SER 88 N -4.07 -0.37 -0.11 0.41 0.01 -1.26 -0.44 113.70 107.87 1swc s SER 88 Ca 0.15 -0.21 -0.09 0.00 1.31 0.00 0.00 55.95 57.12 1swc s SER 88 Cb -0.04 0.54 0.03 0.00 0.21 0.00 0.00 66.02 66.75 1swc s SER 88 CO 0.82 -0.92 0.28 0.00 0.41 0.00 0.00 173.24 173.83 1swc s ALA 89 N -3.79 -0.68 -0.08 1.44 0.00 -0.33 -0.35 121.76 117.97 1swc s ALA 89 Ca 0.03 0.85 0.02 0.00 0.00 0.00 0.00 51.96 52.86 1swc s ALA 89 Cb 0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 1swc s ALA 89 CO -0.11 -0.15 -0.15 0.99 0.00 0.00 0.00 175.76 176.34 1swc s THR 90 N 0.39 2.93 -0.12 0.00 2.01 0.11 -1.30 115.64 119.65 1swc s THR 90 Ca -0.02 -0.74 0.00 0.00 0.31 0.00 0.00 61.69 61.24 1swc s THR 90 Cb -0.04 -2.17 -0.02 0.00 0.01 0.00 0.00 72.50 70.29 1swc s THR 90 CO -0.02 0.56 -0.13 0.42 -0.69 0.00 0.00 174.62 174.76 1swc s THR 91 N -0.22 3.05 -0.15 -0.82 -4.23 -0.43 -1.22 115.64 111.62 1swc s THR 91 Ca 0.00 -0.67 -0.04 0.00 -1.18 0.00 0.00 61.69 59.81 1swc s THR 91 Cb -0.13 -2.27 -0.03 0.00 1.34 0.00 0.00 72.50 71.41 1swc s THR 91 CO 0.03 0.53 -0.02 0.26 -0.54 0.00 0.00 174.62 174.88 1swc s TRP 92 N 0.23 3.06 -0.08 3.99 0.51 -0.26 -1.32 118.94 125.07 1swc s TRP 92 Ca -0.09 -0.20 0.03 0.00 -2.12 0.00 0.00 56.10 53.73 1swc s TRP 92 Cb -0.15 -1.95 0.01 0.00 -0.81 0.00 0.00 33.47 30.57 1swc s TRP 92 CO 0.05 0.05 -0.18 0.45 -0.51 0.00 0.00 176.95 176.81 1swc s SER 93 N 0.21 2.37 0.00 2.95 0.15 0.11 -1.34 113.70 118.14 1swc s SER 93 Ca -0.01 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.22 1swc s SER 93 Cb -0.14 -1.05 0.00 0.00 -1.71 0.00 0.00 66.02 63.13 1swc s SER 93 CO 0.02 0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.17 1swc n GLY 94 N 3.62 1.11 3.14 9.45 0.00 -0.28 -0.91 105.19 121.32 1swc n GLY 94 Ca -0.21 -0.32 -0.12 0.00 0.00 0.00 0.00 46.02 45.38 1swc n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1swc s GLN 95 N 1.85 0.52 -0.06 1.61 -2.07 -0.41 -1.00 119.66 120.11 1swc s GLN 95 Ca 0.00 -0.35 -0.16 0.00 -1.82 0.00 0.00 55.36 53.03 1swc s GLN 95 Cb 0.00 0.22 -0.05 0.00 -1.09 0.00 0.00 33.01 32.09 1swc s GLN 95 CO 0.00 -0.13 0.42 -0.47 -1.32 0.00 0.00 175.29 173.79 1swc s TYR 96 N -1.37 3.62 -0.30 9.60 5.04 0.38 -1.69 117.35 132.64 1swc s TYR 96 Ca -0.14 0.91 0.03 0.00 -2.44 0.00 0.00 57.07 55.43 1swc s TYR 96 Cb -0.07 -2.39 0.08 0.00 0.35 0.00 0.00 41.96 39.93 1swc s TYR 96 CO 0.02 0.43 -0.02 0.08 -1.34 0.00 0.00 175.55 174.72 1swc s VAL 97 N -0.31 2.11 0.00 3.14 1.01 0.06 -0.39 120.40 126.03 1swc s VAL 97 Ca 0.24 -1.92 0.00 0.00 0.00 0.00 0.00 61.98 60.30 1swc s VAL 97 Cb -0.16 -2.40 0.00 0.00 0.00 0.00 0.00 36.38 33.82 1swc s VAL 97 CO 0.11 -0.33 0.00 0.61 0.00 0.00 0.00 175.10 175.50 1swc n GLY 98 N 4.39 -0.18 4.34 4.51 0.00 -1.26 -0.05 105.19 116.92 1swc n GLY 98 Ca -0.05 -1.74 0.00 0.00 0.00 0.00 0.00 46.02 44.23 1swc n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1swc n GLY 99 N 5.00 0.30 0.01 -0.02 0.00 -1.26 -4.26 105.19 104.97 1swc n GLY 99 Ca 0.00 -1.27 -0.01 0.00 0.00 0.00 0.00 46.02 44.75 1swc n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swc h ALA 100 N 0.00 -0.83 -2.15 4.61 0.00 -2.07 -3.30 119.26 115.52 1swc h ALA 100 Ca 0.00 -0.01 -0.79 0.00 0.00 0.00 0.00 54.91 54.11 1swc h ALA 100 Cb 0.00 0.19 -0.29 0.00 0.00 0.00 0.00 17.79 17.69 1swc h ALA 100 CO 0.00 -0.83 0.60 -1.91 0.00 0.00 0.00 179.25 177.11 1swc n GLU 101 N -2.27 4.06 -2.03 0.00 0.00 -1.26 -5.02 120.64 114.12 1swc n GLU 101 Ca -0.00 -4.53 -0.41 0.00 0.00 0.00 0.00 57.16 52.21 1swc n GLU 101 Cb 0.01 -2.51 -0.02 0.00 0.00 0.00 0.00 31.44 28.92 1swc n GLU 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1swc s ALA 102 N -2.29 3.63 0.19 4.31 0.00 -1.25 -4.84 121.76 121.52 1swc s ALA 102 Ca 0.31 1.31 -0.16 0.00 0.00 0.00 0.00 51.96 53.42 1swc s ALA 102 Cb 0.00 -3.56 0.02 0.00 0.00 0.00 0.00 23.12 19.59 1swc s ALA 102 CO 0.04 -0.73 0.49 -0.98 0.00 0.00 0.00 175.76 174.58 1swc s ARG 103 N -0.19 1.35 -0.21 0.00 1.70 0.92 -4.24 118.95 118.27 1swc s ARG 103 Ca 0.60 -0.91 -0.02 0.00 -0.47 0.00 0.00 55.73 54.93 1swc s ARG 103 Cb -0.41 0.50 0.00 0.00 -0.57 0.00 0.00 34.95 34.47 1swc s ARG 103 CO 0.42 -0.56 -0.09 0.42 -1.08 0.00 0.00 175.30 174.40 1swc s ILE 104 N -3.89 2.95 -0.23 4.99 1.01 -0.49 -0.76 121.20 124.78 1swc s ILE 104 Ca 0.10 -0.67 -0.11 0.00 0.00 0.00 0.00 60.65 59.97 1swc s ILE 104 Cb -0.00 -2.34 -0.05 0.00 0.01 0.00 0.00 42.46 40.08 1swc s ILE 104 CO -0.02 0.43 0.17 0.20 0.00 0.00 0.00 174.94 175.72 1swc s ASN 105 N 1.41 6.15 0.17 3.58 0.01 -0.68 -0.86 114.94 124.72 1swc s ASN 105 Ca 0.05 0.15 0.07 0.00 -0.71 0.00 0.00 52.86 52.42 1swc s ASN 105 Cb -0.14 -2.11 -0.04 0.00 0.41 0.00 0.00 41.25 39.36 1swc s ASN 105 CO -0.06 0.07 -0.13 0.42 -1.51 0.00 0.00 177.10 175.88 1swc s THR 106 N 1.01 1.51 0.19 1.60 -4.23 -0.18 -1.29 115.64 114.24 1swc s THR 106 Ca 0.08 -2.06 0.10 0.00 -1.18 0.00 0.00 61.69 58.63 1swc s THR 106 Cb -0.13 -1.88 -0.04 0.00 1.34 0.00 0.00 72.50 71.78 1swc s THR 106 CO 0.04 -0.59 -0.16 -1.10 -0.54 0.00 0.00 174.62 172.27 1swc s GLN 107 N -3.45 1.83 0.03 3.99 -0.21 -0.09 -1.52 119.66 120.24 1swc s GLN 107 Ca 0.18 -1.38 -0.01 0.00 0.02 0.00 0.00 55.36 54.17 1swc s GLN 107 Cb -0.01 -2.02 -0.03 0.00 1.00 0.00 0.00 33.01 31.95 1swc s GLN 107 CO 0.04 0.42 -0.02 1.67 -2.12 0.00 0.00 175.29 175.28 1swc s TRP 108 N -1.70 0.37 -0.09 0.91 1.48 0.16 -0.71 118.94 119.35 1swc s TRP 108 Ca 0.23 -0.77 0.03 0.00 -1.06 0.00 0.00 56.10 54.54 1swc s TRP 108 Cb -0.08 -0.27 0.00 0.00 -1.16 0.00 0.00 33.47 31.96 1swc s TRP 108 CO 0.13 -0.29 -0.21 -0.51 -4.06 0.00 0.00 176.95 172.01 1swc s LEU 109 N -2.16 1.98 -0.21 -4.66 1.43 -0.44 -0.54 118.68 114.08 1swc s LEU 109 Ca -0.05 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 52.56 1swc s LEU 109 Cb -0.01 -1.27 0.03 0.00 0.03 0.00 0.00 46.19 44.96 1swc s LEU 109 CO -0.05 0.12 -0.14 -0.22 0.23 0.00 0.00 176.35 176.29 1swc s LEU 110 N 0.45 2.68 -0.14 1.79 2.96 0.19 -1.31 118.68 125.29 1swc s LEU 110 Ca -0.17 -0.83 -0.00 0.00 -0.22 0.00 0.00 54.13 52.91 1swc s LEU 110 Cb -0.17 -1.55 -0.01 0.00 0.50 0.00 0.00 46.19 44.95 1swc s LEU 110 CO 0.07 -0.07 -0.13 -0.89 -1.32 0.00 0.00 176.35 174.01 1swc s THR 111 N 1.27 2.96 -0.02 3.68 2.01 -0.42 -0.43 115.64 124.69 1swc s THR 111 Ca 0.01 -0.69 -0.02 0.00 0.31 0.00 0.00 61.69 61.30 1swc s THR 111 Cb -0.15 -2.25 -0.04 0.00 0.01 0.00 0.00 72.50 70.07 1swc s THR 111 CO -0.09 0.52 0.13 -0.44 -0.69 0.00 0.00 174.62 174.05 1swc s SER 112 N 0.53 6.06 0.16 3.53 0.01 -0.80 -1.18 113.70 122.02 1swc s SER 112 Ca -0.09 0.28 -0.32 0.00 1.31 0.00 0.00 55.95 57.13 1swc s SER 112 Cb -0.16 -1.85 -0.10 0.00 0.21 0.00 0.00 66.02 64.12 1swc s SER 112 CO 0.04 0.29 1.59 -0.83 0.41 0.00 0.00 173.24 174.74 1swc s GLY 113 N -1.71 1.53 0.12 3.44 0.00 0.42 -4.85 107.32 106.27 1swc s GLY 113 Ca 0.24 1.38 0.04 0.00 0.00 0.00 0.00 44.72 46.37 1swc s GLY 113 CO 0.14 2.68 -0.10 -0.51 0.00 0.00 0.00 173.10 175.32 1swc s THR 114 N 1.31 1.03 0.93 0.90 -4.23 -1.26 -5.01 115.64 109.30 1swc s THR 114 Ca 0.71 -1.91 -0.12 0.00 -1.18 0.00 0.00 61.69 59.19 1swc s THR 114 Cb -0.44 -1.67 0.15 0.00 1.34 0.00 0.00 72.50 71.88 1swc s THR 114 CO 0.31 -0.70 1.09 0.42 -0.54 0.00 0.00 174.62 175.20 1swc s THR 115 N -3.09 2.47 -0.54 3.99 -4.23 -1.26 -4.84 115.64 108.14 1swc s THR 115 Ca 0.12 0.15 0.24 0.00 -1.18 0.00 0.00 61.69 61.03 1swc s THR 115 Cb 0.01 -2.63 0.26 0.00 1.34 0.00 0.00 72.50 71.48 1swc s THR 115 CO -0.00 -0.20 1.57 -0.33 -0.54 0.00 0.00 174.62 175.12 1swc h GLU 116 N -1.67 0.00 0.00 3.99 4.39 -2.01 -2.14 114.58 117.14 1swc h GLU 116 Ca -0.51 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.14 1swc h GLU 116 Cb 1.30 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.94 1swc h GLU 116 CO 0.55 0.00 -0.21 0.00 -1.16 0.00 0.00 179.01 178.19 1swc h ALA 117 N 2.22 1.39 -0.61 3.43 0.00 -2.07 -1.99 119.26 121.64 1swc h ALA 117 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1swc h ALA 117 Cb 0.89 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1swc h ALA 117 CO 0.00 0.26 0.00 0.09 0.00 0.00 0.00 179.25 179.60 1swc n ASN 118 N -3.90 4.01 -0.28 0.00 3.02 -0.85 -4.57 115.26 112.69 1swc n ASN 118 Ca -0.02 -2.19 0.05 0.00 -0.03 0.00 0.00 54.58 52.39 1swc n ASN 118 Cb 0.30 -0.47 0.19 0.00 -0.61 0.00 0.00 39.78 39.19 1swc n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1swc h ALA 119 N 3.66 1.18 -0.30 5.41 0.00 -0.84 -2.21 119.26 126.16 1swc h ALA 119 Ca 0.00 0.07 0.09 0.00 0.00 0.00 0.00 54.91 55.07 1swc h ALA 119 Cb 1.11 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1swc h ALA 119 CO 0.08 -0.05 0.23 0.11 0.00 0.00 0.00 179.25 179.62 1swc h TRP 120 N 0.64 0.00 -0.66 0.00 5.08 -1.80 -1.92 115.95 117.28 1swc h TRP 120 Ca 0.42 0.00 -0.40 0.00 1.08 0.00 0.00 58.89 60.00 1swc h TRP 120 Cb 0.54 0.00 -0.23 0.00 -3.00 0.00 0.00 29.16 26.47 1swc h TRP 120 CO -0.10 0.00 0.14 0.36 -1.28 0.00 0.00 178.44 177.56 1swc n LYS 121 N -4.26 2.33 0.05 0.12 2.85 -0.83 -4.65 118.16 113.76 1swc n LYS 121 Ca 0.04 -3.32 0.12 0.00 -1.05 0.00 0.00 58.31 54.11 1swc n LYS 121 Cb 0.39 -2.04 0.23 0.00 -0.65 0.00 0.00 35.03 32.96 1swc n LYS 121 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1swc n SER 122 N -1.04 0.64 -3.87 -5.58 3.41 -0.72 -4.87 113.62 101.58 1swc n SER 122 Ca 0.46 0.11 -0.26 0.00 -0.26 0.00 0.00 58.87 58.92 1swc n SER 122 Cb 1.10 0.07 -0.17 0.00 -0.26 0.00 0.00 64.21 64.95 1swc n SER 122 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1swc s THR 123 N -3.12 0.88 0.28 6.66 2.01 -1.26 -1.90 115.64 119.20 1swc s THR 123 Ca 0.08 -0.22 0.01 0.00 0.31 0.00 0.00 61.69 61.87 1swc s THR 123 Cb 0.14 -0.94 -0.04 0.00 0.01 0.00 0.00 72.50 71.67 1swc s THR 123 CO 0.70 0.33 0.47 -0.76 -0.69 0.00 0.00 174.62 174.66 1swc s LEU 124 N 1.76 4.14 -0.01 4.42 1.43 0.43 -4.90 118.68 125.96 1swc s LEU 124 Ca 0.05 0.38 0.02 0.00 -1.03 0.00 0.00 54.13 53.55 1swc s LEU 124 Cb -0.13 -3.20 -0.00 0.00 0.03 0.00 0.00 46.19 42.89 1swc s LEU 124 CO -0.08 -0.17 -0.08 0.54 0.23 0.00 0.00 176.35 176.80 1swc s VAL 125 N -2.10 0.62 0.08 -1.59 0.11 -1.26 -0.64 120.40 115.61 1swc s VAL 125 Ca 0.39 -0.31 -0.02 0.00 -2.93 0.00 0.00 61.98 59.10 1swc s VAL 125 Cb -0.10 -0.53 0.01 0.00 -1.53 0.00 0.00 36.38 34.23 1swc s VAL 125 CO 0.32 0.18 0.14 0.61 -3.33 0.00 0.00 175.10 173.03 1swc n GLY 126 N 3.02 2.22 3.03 6.54 0.00 0.30 -4.98 105.19 115.31 1swc n GLY 126 Ca -0.15 -1.21 -0.10 0.00 0.00 0.00 0.00 46.02 44.57 1swc n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1swc s HIS 127 N -6.38 0.21 -0.03 1.61 -3.43 -1.26 0.37 115.29 106.38 1swc s HIS 127 Ca 0.05 -0.44 -0.15 0.00 -0.80 0.00 0.00 55.06 53.71 1swc s HIS 127 Cb -0.01 -0.16 0.03 0.00 -1.43 0.00 0.00 32.58 31.01 1swc s HIS 127 CO 0.03 -0.24 0.33 0.34 -2.00 0.00 0.00 174.74 173.20 1swc s ASP 128 N -1.55 -0.23 -0.06 7.38 -1.08 -0.58 -4.94 116.67 115.62 1swc s ASP 128 Ca -0.14 0.18 0.05 0.00 -0.52 0.00 0.00 52.55 52.13 1swc s ASP 128 Cb -0.08 0.37 -0.01 0.00 -1.46 0.00 0.00 42.92 41.74 1swc s ASP 128 CO -0.01 -0.41 -0.24 -0.89 0.52 0.00 0.00 175.17 174.14 1swc s THR 129 N -1.13 1.95 0.03 1.71 2.01 -1.26 -1.01 115.64 117.93 1swc s THR 129 Ca -0.12 -1.00 0.04 0.00 0.31 0.00 0.00 61.69 60.93 1swc s THR 129 Cb -0.05 -1.66 -0.03 0.00 0.01 0.00 0.00 72.50 70.77 1swc s THR 129 CO 0.04 0.54 -0.08 -0.36 -0.69 0.00 0.00 174.62 174.07 1swc s PHE 130 N -0.05 2.83 -0.00 4.92 0.08 -0.04 -3.80 117.98 121.92 1swc s PHE 130 Ca -0.06 -0.08 0.06 0.00 0.12 0.00 0.00 56.93 56.97 1swc s PHE 130 Cb -0.14 -1.56 -0.02 0.00 -0.57 0.00 0.00 43.02 40.73 1swc s PHE 130 CO 0.04 0.37 -0.20 0.99 -0.10 0.00 0.00 175.22 176.33 1swc s THR 131 N -1.04 1.56 -2.00 0.64 2.01 0.51 -1.40 115.64 115.93 1swc s THR 131 Ca 0.18 -0.91 0.25 0.00 0.31 0.00 0.00 61.69 61.51 1swc s THR 131 Cb -0.11 -1.31 0.70 0.00 0.01 0.00 0.00 72.50 71.79 1swc s THR 131 CO 0.09 0.39 1.83 1.17 -0.69 0.00 0.00 174.62 177.40