#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1swq h ILE 17 N 0.00 1.09 -2.57 -0.61 2.04 -1.99 -3.46 117.51 112.02 1swq h ILE 17 Ca 0.00 -2.58 -0.56 0.00 1.00 0.00 0.00 64.86 62.73 1swq h ILE 17 Cb 0.00 2.89 0.06 0.00 -0.74 0.00 0.00 36.82 39.03 1swq h ILE 17 CO 0.00 0.83 0.85 0.41 0.00 0.00 0.00 178.15 180.24 1swq n THR 18 N -3.68 0.24 -0.05 -0.27 -1.04 -1.26 -4.73 114.28 103.48 1swq n THR 18 Ca -0.21 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 1swq n THR 18 Cb 1.07 -1.73 0.00 0.00 -1.82 0.00 0.00 70.33 67.86 1swq n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1swq n GLY 19 N 3.29 0.87 3.55 3.41 0.00 -0.08 -4.99 105.19 111.23 1swq n GLY 19 Ca 0.15 -1.77 -0.34 0.00 0.00 0.00 0.00 46.02 44.06 1swq n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swq s THR 20 N -3.33 4.13 0.08 2.61 2.01 -1.26 -0.17 115.64 119.70 1swq s THR 20 Ca 0.00 -0.28 0.08 0.00 0.31 0.00 0.00 61.69 61.80 1swq s THR 20 Cb 0.00 -2.81 -0.03 0.00 0.01 0.00 0.00 72.50 69.66 1swq s THR 20 CO 0.00 0.50 -0.21 0.26 -0.69 0.00 0.00 174.62 174.48 1swq s TRP 21 N 0.22 1.81 0.03 4.92 0.52 0.16 -4.59 118.94 122.00 1swq s TRP 21 Ca -0.01 -0.40 0.06 0.00 0.02 0.00 0.00 56.10 55.77 1swq s TRP 21 Cb -0.13 -1.03 -0.02 0.00 -1.15 0.00 0.00 33.47 31.14 1swq s TRP 21 CO 0.02 0.16 -0.17 0.71 0.02 0.00 0.00 176.95 177.69 1swq s TYR 22 N -1.01 1.53 0.52 -1.98 2.02 0.18 -1.09 117.35 117.52 1swq s TYR 22 Ca 0.07 -0.35 0.08 0.00 -0.37 0.00 0.00 57.07 56.50 1swq s TYR 22 Cb -0.09 -0.93 0.08 0.00 -0.40 0.00 0.00 41.96 40.62 1swq s TYR 22 CO 0.03 0.05 0.64 0.27 -1.57 0.00 0.00 175.55 174.97 1swq n ASN 23 N 2.04 2.07 0.05 2.29 6.94 -0.59 -0.77 115.26 127.28 1swq n ASN 23 Ca -0.17 -2.47 0.13 0.00 -0.02 0.00 0.00 54.58 52.06 1swq n ASN 23 Cb 0.54 -0.30 0.44 0.00 -2.36 0.00 0.00 39.78 38.10 1swq n ASN 23 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1swq n GLN 24 N -2.03 0.14 -0.96 -3.83 6.02 -1.26 -3.33 117.38 112.14 1swq n GLN 24 Ca 0.11 0.10 -0.01 0.00 -0.01 0.00 0.00 57.00 57.19 1swq n GLN 24 Cb 0.55 -1.65 0.34 0.00 1.02 0.00 0.00 30.24 30.50 1swq n GLN 24 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1swq n LEU 25 N -1.88 5.89 0.00 1.08 4.77 -1.26 -4.92 117.00 120.68 1swq n LEU 25 Ca 0.06 -3.03 0.00 0.00 -0.03 0.00 0.00 56.01 53.01 1swq n LEU 25 Cb 0.39 -0.72 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 1swq n LEU 25 CO 0.30 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 177.70 1swq n GLY 26 N 0.17 2.90 3.56 -0.72 0.00 -1.21 -5.02 105.19 104.88 1swq n GLY 26 Ca 0.35 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.91 1swq n GLY 26 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1swq n SER 27 N 0.32 0.93 -4.35 1.61 7.64 -1.26 -4.68 113.62 113.83 1swq n SER 27 Ca 0.00 1.17 -0.31 0.00 1.01 0.00 0.00 58.87 60.73 1swq n SER 27 Cb 0.00 -1.22 -0.15 0.00 -1.01 0.00 0.00 64.21 61.82 1swq n SER 27 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1swq s THR 28 N -0.88 2.25 -0.05 0.44 2.01 -0.10 -1.55 115.64 117.76 1swq s THR 28 Ca 0.62 -1.08 -0.01 0.00 0.31 0.00 0.00 61.69 61.53 1swq s THR 28 Cb -0.77 -1.81 0.03 0.00 0.01 0.00 0.00 72.50 69.96 1swq s THR 28 CO 0.58 0.55 0.01 0.72 -0.69 0.00 0.00 174.62 175.78 1swq s PHE 29 N -0.66 0.46 -0.26 4.92 -0.12 -0.25 -0.12 117.98 121.94 1swq s PHE 29 Ca 0.11 -0.05 -0.07 0.00 -0.05 0.00 0.00 56.93 56.87 1swq s PHE 29 Cb -0.10 -0.60 -0.02 0.00 -0.63 0.00 0.00 43.02 41.66 1swq s PHE 29 CO -0.00 -0.22 0.08 0.42 -0.05 0.00 0.00 175.22 175.44 1swq s ILE 30 N 1.56 4.29 0.15 -4.49 1.01 -0.47 0.37 121.20 123.63 1swq s ILE 30 Ca -0.02 -0.24 0.10 0.00 0.00 0.00 0.00 60.65 60.49 1swq s ILE 30 Cb -0.13 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.26 1swq s ILE 30 CO -0.03 0.30 -0.22 0.68 0.00 0.00 0.00 174.94 175.67 1swq s VAL 31 N 1.60 2.00 -0.10 2.92 -7.23 0.76 -2.06 120.40 118.29 1swq s VAL 31 Ca 0.06 -1.82 0.03 0.00 -1.81 0.00 0.00 61.98 58.44 1swq s VAL 31 Cb -0.15 -1.86 0.01 0.00 0.56 0.00 0.00 36.38 34.93 1swq s VAL 31 CO 0.04 -0.13 -0.19 -0.89 -0.31 0.00 0.00 175.10 173.61 1swq s THR 32 N -1.55 1.74 -0.50 5.32 2.01 0.15 -0.90 115.64 121.90 1swq s THR 32 Ca 0.14 -0.82 -0.15 0.00 0.31 0.00 0.00 61.69 61.18 1swq s THR 32 Cb -0.08 -1.53 0.11 0.00 0.01 0.00 0.00 72.50 71.01 1swq s THR 32 CO 0.07 0.49 0.43 0.00 -0.69 0.00 0.00 174.62 174.92 1swq s ALA 33 N 0.56 3.57 0.68 7.40 0.00 -1.26 -1.32 121.76 131.39 1swq s ALA 33 Ca -0.15 -2.39 -0.11 0.00 0.00 0.00 0.00 51.96 49.31 1swq s ALA 33 Cb -0.17 -3.11 0.01 0.00 0.00 0.00 0.00 23.12 19.85 1swq s ALA 33 CO 0.05 -1.90 1.06 0.20 0.00 0.00 0.00 175.76 175.18 1swq s GLY 34 N 3.09 1.63 0.25 0.00 0.00 0.14 -4.92 107.32 107.51 1swq s GLY 34 Ca 0.04 -0.38 0.21 0.00 0.00 0.00 0.00 44.72 44.58 1swq s GLY 34 CO 0.04 -0.03 1.63 0.00 0.00 0.00 0.00 173.10 174.74 1swq n ALA 35 N -2.92 1.38 1.74 3.20 0.00 -1.26 -1.66 120.51 120.99 1swq n ALA 35 Ca 0.06 0.12 0.15 0.00 0.00 0.00 0.00 53.44 53.77 1swq n ALA 35 Cb 0.57 -1.33 0.79 0.00 0.00 0.00 0.00 19.45 19.48 1swq n ALA 35 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1swq n ASP 36 N -2.15 0.40 0.00 0.00 2.03 -1.26 -4.87 116.55 110.70 1swq n ASP 36 Ca 0.01 -0.97 0.00 0.00 0.52 0.00 0.00 54.79 54.35 1swq n ASP 36 Cb 0.14 -0.04 0.00 0.00 -0.72 0.00 0.00 41.12 40.50 1swq n ASP 36 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1swq n GLY 37 N 1.11 0.66 3.77 0.27 0.00 -0.66 -4.96 105.19 105.37 1swq n GLY 37 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 1swq n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swq s ALA 38 N -2.23 3.32 -0.11 4.61 0.00 -1.26 -0.46 121.76 125.64 1swq s ALA 38 Ca 0.00 0.50 0.02 0.00 0.00 0.00 0.00 51.96 52.48 1swq s ALA 38 Cb 0.00 -3.12 -0.01 0.00 0.00 0.00 0.00 23.12 20.00 1swq s ALA 38 CO 0.00 0.23 -0.20 -0.51 0.00 0.00 0.00 175.76 175.28 1swq s LEU 39 N -1.54 2.33 -0.05 0.00 1.02 -0.13 0.27 118.68 120.58 1swq s LEU 39 Ca 0.43 -0.47 -0.08 0.00 0.02 0.00 0.00 54.13 54.03 1swq s LEU 39 Cb -0.22 -1.48 0.02 0.00 0.02 0.00 0.00 46.19 44.52 1swq s LEU 39 CO 0.27 0.16 0.21 0.42 0.02 0.00 0.00 176.35 177.43 1swq s THR 40 N 0.33 0.03 -2.23 5.49 -4.23 -0.43 -1.39 115.64 113.21 1swq s THR 40 Ca -0.16 -0.26 0.00 0.00 -1.18 0.00 0.00 61.69 60.09 1swq s THR 40 Cb -0.17 -0.39 0.00 0.00 1.34 0.00 0.00 72.50 73.28 1swq s THR 40 CO 0.08 -0.14 0.00 0.61 -0.54 0.00 0.00 174.62 174.62 1swq n GLY 41 N 2.31 -0.55 3.23 3.99 0.00 -1.13 0.31 105.19 113.36 1swq n GLY 41 Ca -0.17 -0.79 -0.16 0.00 0.00 0.00 0.00 46.02 44.91 1swq n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1swq s THR 42 N -3.12 1.20 -0.23 2.61 -4.23 -0.88 -1.29 115.64 109.70 1swq s THR 42 Ca 0.00 -1.80 0.00 0.00 -1.18 0.00 0.00 61.69 58.71 1swq s THR 42 Cb 0.00 -1.58 0.03 0.00 1.34 0.00 0.00 72.50 72.29 1swq s THR 42 CO 0.00 -0.54 -0.11 -0.47 -0.54 0.00 0.00 174.62 172.96 1swq s TYR 43 N -2.54 3.04 0.15 3.99 6.14 0.47 -1.36 117.35 127.23 1swq s TYR 43 Ca 0.10 -1.76 0.02 0.00 0.64 0.00 0.00 57.07 56.07 1swq s TYR 43 Cb -0.02 -2.00 0.02 0.00 0.42 0.00 0.00 41.96 40.38 1swq s TYR 43 CO 0.02 -0.78 0.14 -0.85 0.64 0.00 0.00 175.55 174.72 1swq n GLU 44 N 4.60 1.15 -0.86 4.97 -0.00 0.82 -1.18 120.64 130.14 1swq n GLU 44 Ca -0.17 -0.87 0.00 0.00 -0.00 0.00 0.00 57.16 56.12 1swq n GLU 44 Cb 0.47 0.04 0.00 0.00 -0.00 0.00 0.00 31.44 31.95 1swq n GLU 44 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 1swq n ASN 49 N -2.25 0.00 -0.31 -1.84 6.94 -1.26 -0.93 115.26 115.61 1swq n ASN 49 Ca 0.01 0.36 0.14 0.00 -0.02 0.00 0.00 54.58 55.07 1swq n ASN 49 Cb 0.16 -1.03 0.38 0.00 -2.36 0.00 0.00 39.78 36.94 1swq n ASN 49 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1swq h ALA 50 N 1.05 1.86 0.00 -2.53 0.00 -2.04 0.74 119.26 118.33 1swq h ALA 50 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1swq h ALA 50 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1swq h ALA 50 CO 0.00 -0.17 0.00 -0.85 0.00 0.00 0.00 179.25 178.23 1swq n GLU 51 N -4.63 0.01 -0.32 0.00 0.00 -1.26 -2.07 120.64 112.37 1swq n GLU 51 Ca 0.21 0.29 0.09 0.00 0.00 0.00 0.00 57.16 57.74 1swq n GLU 51 Cb 0.57 -1.52 0.22 0.00 0.00 0.00 0.00 31.44 30.71 1swq n GLU 51 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1swq n SER 52 N -1.54 3.39 -4.68 -1.84 7.64 0.25 -4.79 113.62 112.06 1swq n SER 52 Ca 0.03 -2.95 -0.35 0.00 1.01 0.00 0.00 58.87 56.62 1swq n SER 52 Cb 0.16 -0.48 -0.09 0.00 -1.01 0.00 0.00 64.21 62.78 1swq n SER 52 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1swq s ARG 53 N -2.68 3.74 0.08 1.43 3.52 -0.88 -4.29 118.95 119.87 1swq s ARG 53 Ca 0.37 -0.32 0.02 0.00 -0.13 0.00 0.00 55.73 55.67 1swq s ARG 53 Cb 0.30 -3.14 -0.04 0.00 -1.56 0.00 0.00 34.95 30.52 1swq s ARG 53 CO 0.08 0.42 -0.07 0.71 -0.81 0.00 0.00 175.30 175.62 1swq s TYR 54 N -0.04 0.85 0.17 5.12 1.51 -0.33 -4.76 117.35 119.86 1swq s TYR 54 Ca 0.06 -0.75 -0.28 0.00 -1.01 0.00 0.00 57.07 55.09 1swq s TYR 54 Cb -0.12 -0.49 -0.08 0.00 -0.11 0.00 0.00 41.96 41.16 1swq s TYR 54 CO 0.01 -0.11 0.87 0.08 -1.11 0.00 0.00 175.55 175.29 1swq s VAL 55 N -2.78 4.33 0.12 0.71 1.01 -1.26 -0.40 120.40 122.13 1swq s VAL 55 Ca 0.04 1.91 0.11 0.00 0.00 0.00 0.00 61.98 64.04 1swq s VAL 55 Cb -0.00 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 1swq s VAL 55 CO -0.03 0.45 -0.27 -1.48 0.00 0.00 0.00 175.10 173.78 1swq s LEU 56 N -0.79 2.30 0.01 3.92 0.05 -0.41 -4.36 118.68 119.39 1swq s LEU 56 Ca 0.40 -0.73 -0.12 0.00 0.05 0.00 0.00 54.13 53.73 1swq s LEU 56 Cb -0.24 -1.23 0.02 0.00 -2.05 0.00 0.00 46.19 42.69 1swq s LEU 56 CO 0.29 0.19 0.26 0.28 -0.55 0.00 0.00 176.35 176.81 1swq s THR 57 N -1.03 0.07 0.00 5.48 -1.32 -0.92 -2.82 115.64 115.11 1swq s THR 57 Ca 0.14 -0.62 0.00 0.00 -1.21 0.00 0.00 61.69 60.00 1swq s THR 57 Cb -0.10 -0.68 0.00 0.00 -1.51 0.00 0.00 72.50 70.21 1swq s THR 57 CO 0.05 -0.34 0.00 0.61 -2.21 0.00 0.00 174.62 172.74 1swq n GLY 58 N 1.10 1.73 3.02 6.08 0.00 -0.48 -0.69 105.19 115.94 1swq n GLY 58 Ca -0.21 -0.79 -0.09 0.00 0.00 0.00 0.00 46.02 44.93 1swq n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1swq s ARG 59 N -0.28 0.37 0.05 1.61 1.81 -0.84 -0.96 118.95 120.71 1swq s ARG 59 Ca 0.00 -0.59 -0.01 0.00 -1.72 0.00 0.00 55.73 53.41 1swq s ARG 59 Cb 0.00 0.14 -0.04 0.00 -0.45 0.00 0.00 34.95 34.60 1swq s ARG 59 CO 0.00 -0.07 -0.02 1.52 -0.68 0.00 0.00 175.30 176.05 1swq s TYR 60 N -1.55 0.51 -0.28 -0.53 1.13 0.39 -0.96 117.35 116.05 1swq s TYR 60 Ca -0.15 -1.05 -0.29 0.00 -1.41 0.00 0.00 57.07 54.18 1swq s TYR 60 Cb -0.09 -0.38 -0.02 0.00 -1.10 0.00 0.00 41.96 40.38 1swq s TYR 60 CO -0.01 -0.38 1.60 0.34 -2.51 0.00 0.00 175.55 174.59 1swq s ASP 61 N -2.89 6.28 0.00 -0.18 -1.08 0.21 -4.61 116.67 114.40 1swq s ASP 61 Ca 0.07 1.38 0.25 0.00 -0.52 0.00 0.00 52.55 53.72 1swq s ASP 61 Cb 0.08 -2.53 1.07 0.00 -1.46 0.00 0.00 42.92 40.07 1swq s ASP 61 CO -0.10 -1.38 1.74 -1.54 0.52 0.00 0.00 175.17 174.41 1swq n SER 62 N 8.88 1.18 -3.11 -0.34 3.41 -1.26 -4.14 113.62 118.24 1swq n SER 62 Ca 0.19 -1.50 -0.19 0.00 -0.26 0.00 0.00 58.87 57.11 1swq n SER 62 Cb 0.46 -0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 64.34 1swq n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1swq n ALA 63 N -0.05 1.61 -1.25 7.33 0.00 -1.26 -5.06 120.51 121.84 1swq n ALA 63 Ca 0.18 -3.03 -0.29 0.00 0.00 0.00 0.00 53.44 50.31 1swq n ALA 63 Cb 0.28 -0.94 0.17 0.00 0.00 0.00 0.00 19.45 18.96 1swq n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1swq s PRO 64 N -1.26 0.53 0.95 0.00 0.04 -1.26 -5.03 135.00 128.97 1swq s PRO 64 Ca 0.35 0.45 -0.11 0.00 0.04 0.00 0.00 61.00 61.73 1swq s PRO 64 Cb 0.24 -1.75 0.16 0.00 0.04 0.00 0.00 34.50 33.19 1swq s PRO 64 CO -0.11 -2.65 1.09 0.00 0.04 0.00 0.00 177.00 175.37 1swq s ALA 65 N -3.04 1.16 -0.40 8.56 0.00 -1.26 -5.00 121.76 121.78 1swq s ALA 65 Ca 0.65 0.09 0.05 0.00 0.00 0.00 0.00 51.96 52.75 1swq s ALA 65 Cb -0.18 -3.27 0.15 0.00 0.00 0.00 0.00 23.12 19.82 1swq s ALA 65 CO 0.57 -2.71 1.12 2.41 0.00 0.00 0.00 175.76 177.14 1swq n THR 66 N -4.15 1.04 1.39 0.00 -1.04 -1.26 -4.59 114.28 105.67 1swq n THR 66 Ca 0.07 -1.04 0.04 0.00 -2.04 0.00 0.00 64.05 61.09 1swq n THR 66 Cb 0.54 0.47 0.26 0.00 -1.82 0.00 0.00 70.33 69.79 1swq n THR 66 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1swq n ASP 67 N -0.08 0.00 0.00 8.00 5.68 -1.26 -4.77 116.55 124.11 1swq n ASP 67 Ca 0.06 -1.11 0.00 0.00 -0.50 0.00 0.00 54.79 53.23 1swq n ASP 67 Cb 0.34 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.32 1swq n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1swq n GLY 68 N 0.27 0.70 3.70 6.12 0.00 -1.26 -5.05 105.19 109.68 1swq n GLY 68 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 1swq n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swq s SER 69 N -2.10 3.65 0.93 1.61 0.01 -1.26 -5.03 113.70 111.51 1swq s SER 69 Ca 0.00 2.25 -0.13 0.00 1.31 0.00 0.00 55.95 59.37 1swq s SER 69 Cb 0.00 -2.57 0.20 0.00 0.21 0.00 0.00 66.02 63.85 1swq s SER 69 CO 0.00 -2.62 1.27 -0.83 0.41 0.00 0.00 173.24 171.47 1swq s GLY 70 N -2.42 1.79 -0.32 3.44 0.00 -1.26 -4.85 107.32 103.70 1swq s GLY 70 Ca 0.70 -1.36 -0.11 0.00 0.00 0.00 0.00 44.72 43.95 1swq s GLY 70 CO 0.52 -0.60 0.20 -1.59 0.00 0.00 0.00 173.10 171.63 1swq s THR 71 N -3.77 5.09 0.36 0.90 2.01 0.02 -4.77 115.64 115.48 1swq s THR 71 Ca 0.73 -0.17 -0.26 0.00 0.31 0.00 0.00 61.69 62.30 1swq s THR 71 Cb -0.03 -3.56 -0.09 0.00 0.01 0.00 0.00 72.50 68.83 1swq s THR 71 CO 0.52 0.08 1.14 0.00 -0.69 0.00 0.00 174.62 175.66 1swq s ALA 72 N 1.70 3.24 0.27 7.40 0.00 -1.26 -1.17 121.76 131.93 1swq s ALA 72 Ca 0.06 0.92 -0.20 0.00 0.00 0.00 0.00 51.96 52.74 1swq s ALA 72 Cb -0.17 -3.35 0.02 0.00 0.00 0.00 0.00 23.12 19.62 1swq s ALA 72 CO 0.09 -0.37 0.67 -0.48 0.00 0.00 0.00 175.76 175.67 1swq s LEU 73 N -2.17 -0.16 0.18 0.00 0.05 -0.72 -0.62 118.68 115.24 1swq s LEU 73 Ca 0.53 -0.63 -0.22 0.00 0.05 0.00 0.00 54.13 53.85 1swq s LEU 73 Cb -0.30 2.54 0.06 0.00 -2.05 0.00 0.00 46.19 46.44 1swq s LEU 73 CO 0.38 -1.29 0.61 -0.83 -0.55 0.00 0.00 176.35 174.68 1swq s GLY 74 N -2.93 -0.48 0.20 -3.48 0.00 -0.13 -1.49 107.32 99.01 1swq s GLY 74 Ca 0.12 0.28 -0.15 0.00 0.00 0.00 0.00 44.72 44.98 1swq s GLY 74 CO 0.06 0.07 0.47 0.66 0.00 0.00 0.00 173.10 174.36 1swq s TRP 75 N -3.79 0.09 0.02 1.90 -2.14 -0.55 -1.98 118.94 112.48 1swq s TRP 75 Ca 0.03 -0.44 0.04 0.00 2.66 0.00 0.00 56.10 58.39 1swq s TRP 75 Cb -0.02 0.27 -0.02 0.00 -3.10 0.00 0.00 33.47 30.60 1swq s TRP 75 CO -0.09 -0.90 -0.11 0.99 -2.66 0.00 0.00 176.95 174.18 1swq s THR 76 N -3.92 0.90 -0.11 0.66 2.01 0.13 -1.34 115.64 113.96 1swq s THR 76 Ca 0.14 -0.73 0.00 0.00 0.31 0.00 0.00 61.69 61.41 1swq s THR 76 Cb -0.00 -0.80 0.02 0.00 0.01 0.00 0.00 72.50 71.73 1swq s THR 76 CO 0.00 0.07 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.22 1swq s VAL 77 N -0.60 1.16 -0.13 3.82 1.01 0.04 -2.16 120.40 123.53 1swq s VAL 77 Ca 0.01 -0.40 -0.15 0.00 0.00 0.00 0.00 61.98 61.45 1swq s VAL 77 Cb -0.06 -1.13 -0.05 0.00 0.00 0.00 0.00 36.38 35.15 1swq s VAL 77 CO 0.00 0.38 0.34 0.00 0.00 0.00 0.00 175.10 175.83 1swq s ALA 78 N 1.43 3.58 -1.49 5.51 0.00 -1.26 -0.12 121.76 129.41 1swq s ALA 78 Ca 0.00 -0.37 -0.08 0.00 0.00 0.00 0.00 51.96 51.51 1swq s ALA 78 Cb -0.13 -2.44 0.01 0.00 0.00 0.00 0.00 23.12 20.55 1swq s ALA 78 CO -0.06 0.12 2.67 0.91 0.00 0.00 0.00 175.76 179.40 1swq n TRP 79 N 3.40 2.55 -4.52 0.00 7.02 0.60 -4.77 117.44 121.71 1swq n TRP 79 Ca -0.11 -2.97 -0.22 0.00 -1.02 0.00 0.00 57.50 53.18 1swq n TRP 79 Cb 0.52 -2.21 -0.16 0.00 -2.42 0.00 0.00 31.31 27.05 1swq n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1swq s LYS 80 N 0.77 1.17 0.00 -0.99 2.20 -1.26 -0.17 119.74 121.46 1swq s LYS 80 Ca 0.62 -0.40 0.00 0.00 -0.36 0.00 0.00 55.97 55.83 1swq s LYS 80 Cb 0.18 -1.07 0.00 0.00 -1.51 0.00 0.00 37.83 35.43 1swq s LYS 80 CO -0.07 0.17 0.00 0.27 -0.36 0.00 0.00 175.35 175.36 1swq n ASN 81 N 3.17 0.36 0.00 1.43 0.23 -0.09 -4.76 115.26 115.61 1swq n ASN 81 Ca -0.17 -0.71 0.13 0.00 -0.53 0.00 0.00 54.58 53.29 1swq n ASN 81 Cb 0.54 0.00 0.70 0.00 -2.08 0.00 0.00 39.78 38.94 1swq n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1swq n ASN 82 N -1.86 0.00 -0.00 0.53 3.02 -1.26 -3.56 115.26 112.13 1swq n ASN 82 Ca 0.00 -0.43 0.02 0.00 -0.03 0.00 0.00 54.58 54.14 1swq n ASN 82 Cb 0.00 -0.15 -0.02 0.00 -0.61 0.00 0.00 39.78 39.00 1swq n ASN 82 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1swq n TYR 83 N -1.15 0.00 -3.73 3.10 4.01 -1.26 -5.06 117.16 113.08 1swq n TYR 83 Ca 0.16 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.76 1swq n TYR 83 Cb 0.15 -0.05 -0.09 0.00 -0.31 0.00 0.00 39.34 39.04 1swq n TYR 83 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1swq s ARG 84 N -1.85 0.66 -0.13 -0.72 0.52 -1.23 -5.12 118.95 111.07 1swq s ARG 84 Ca -0.00 0.05 -0.04 0.00 -0.52 0.00 0.00 55.73 55.22 1swq s ARG 84 Cb 0.02 0.30 0.06 0.00 0.52 0.00 0.00 34.95 35.86 1swq s ARG 84 CO 0.15 -0.17 0.19 1.21 0.02 0.00 0.00 175.30 176.70 1swq s ASN 85 N -0.91 0.95 0.00 0.23 3.84 -1.26 -0.92 114.94 116.87 1swq s ASN 85 Ca -0.10 0.17 0.25 0.00 0.21 0.00 0.00 52.86 53.39 1swq s ASN 85 Cb -0.04 0.33 0.46 0.00 -0.55 0.00 0.00 41.25 41.45 1swq s ASN 85 CO 0.04 -0.27 1.40 0.00 -2.79 0.00 0.00 177.10 175.47 1swq n ALA 86 N 5.32 2.83 -3.47 1.71 0.00 0.76 -4.97 120.51 122.70 1swq n ALA 86 Ca -0.05 -0.57 -0.19 0.00 0.00 0.00 0.00 53.44 52.63 1swq n ALA 86 Cb 0.50 -0.95 0.06 0.00 0.00 0.00 0.00 19.45 19.06 1swq n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1swq n HIS 87 N 0.43 -2.18 -3.51 0.00 8.25 -1.26 -4.85 115.22 112.11 1swq n HIS 87 Ca 0.14 0.84 -0.10 0.00 -0.26 0.00 0.00 57.72 58.34 1swq n HIS 87 Cb 0.47 -4.44 -0.02 0.00 1.12 0.00 0.00 29.99 27.12 1swq n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1swq s SER 88 N -3.96 -0.46 -0.07 0.41 1.04 -1.26 -1.30 113.70 108.10 1swq s SER 88 Ca 0.20 -0.08 -0.06 0.00 0.48 0.00 0.00 55.95 56.49 1swq s SER 88 Cb -0.04 0.54 0.02 0.00 0.10 0.00 0.00 66.02 66.65 1swq s SER 88 CO 0.77 -0.90 0.17 0.00 0.98 0.00 0.00 173.24 174.26 1swq s ALA 89 N -3.55 -0.41 -0.09 5.32 0.00 -0.25 -0.29 121.76 122.49 1swq s ALA 89 Ca 0.04 0.53 0.02 0.00 0.00 0.00 0.00 51.96 52.55 1swq s ALA 89 Cb -0.01 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 1swq s ALA 89 CO -0.09 -0.10 -0.13 0.99 0.00 0.00 0.00 175.76 176.44 1swq s THR 90 N 0.28 3.15 -0.08 0.00 2.01 0.83 -0.90 115.64 120.92 1swq s THR 90 Ca -0.02 -0.66 0.04 0.00 0.31 0.00 0.00 61.69 61.36 1swq s THR 90 Cb -0.03 -2.28 -0.01 0.00 0.01 0.00 0.00 72.50 70.19 1swq s THR 90 CO -0.01 0.56 -0.19 0.42 -0.69 0.00 0.00 174.62 174.71 1swq s THR 91 N -0.29 2.56 -0.17 -0.82 -4.23 0.10 -0.78 115.64 112.01 1swq s THR 91 Ca 0.02 -0.87 -0.04 0.00 -1.18 0.00 0.00 61.69 59.62 1swq s THR 91 Cb -0.13 -2.00 -0.03 0.00 1.34 0.00 0.00 72.50 71.69 1swq s THR 91 CO 0.03 0.56 -0.02 0.26 -0.54 0.00 0.00 174.62 174.91 1swq s TRP 92 N -0.09 3.04 -0.16 3.99 0.51 -0.45 -1.09 118.94 124.69 1swq s TRP 92 Ca -0.04 -0.34 -0.00 0.00 -2.12 0.00 0.00 56.10 53.60 1swq s TRP 92 Cb -0.14 -2.02 -0.00 0.00 -0.81 0.00 0.00 33.47 30.50 1swq s TRP 92 CO 0.04 -0.10 -0.14 0.45 -0.51 0.00 0.00 176.95 176.69 1swq s SER 93 N 0.62 3.79 0.00 2.95 0.15 0.92 -1.48 113.70 120.65 1swq s SER 93 Ca -0.01 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.20 1swq s SER 93 Cb -0.14 -1.59 0.00 0.00 -1.71 0.00 0.00 66.02 62.58 1swq s SER 93 CO 0.02 0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.16 1swq n GLY 94 N 4.06 1.67 3.05 9.45 0.00 -0.56 -0.61 105.19 122.26 1swq n GLY 94 Ca -0.19 -0.68 -0.11 0.00 0.00 0.00 0.00 46.02 45.04 1swq n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1swq s GLN 95 N 0.78 0.34 -0.13 1.61 -2.07 0.14 -1.76 119.66 118.56 1swq s GLN 95 Ca 0.00 -0.25 -0.22 0.00 -1.82 0.00 0.00 55.36 53.07 1swq s GLN 95 Cb 0.00 0.14 -0.03 0.00 -1.09 0.00 0.00 33.01 32.03 1swq s GLN 95 CO 0.00 -0.07 0.65 -0.47 -1.32 0.00 0.00 175.29 174.08 1swq s TYR 96 N -0.92 3.48 -0.29 9.60 5.04 -0.32 -0.93 117.35 133.01 1swq s TYR 96 Ca -0.10 1.08 0.03 0.00 -2.44 0.00 0.00 57.07 55.63 1swq s TYR 96 Cb -0.06 -2.79 0.08 0.00 0.35 0.00 0.00 41.96 39.54 1swq s TYR 96 CO 0.01 -0.03 -0.02 0.08 -1.34 0.00 0.00 175.55 174.24 1swq s VAL 97 N 1.33 1.99 0.87 3.14 1.01 0.12 -0.80 120.40 128.06 1swq s VAL 97 Ca 0.33 -1.82 -0.15 0.00 0.00 0.00 0.00 61.98 60.34 1swq s VAL 97 Cb -0.16 -2.30 0.21 0.00 0.00 0.00 0.00 36.38 34.13 1swq s VAL 97 CO 0.13 -0.31 0.90 0.61 0.00 0.00 0.00 175.10 176.43 1swq n GLY 98 N 4.44 -2.25 0.00 4.51 0.00 -1.26 -0.56 105.19 110.08 1swq n GLY 98 Ca -0.06 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.40 1swq n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1swq n GLY 99 N -2.55 0.33 0.21 -0.02 0.00 -1.26 -4.64 105.19 97.26 1swq n GLY 99 Ca 0.12 -2.31 -0.14 0.00 0.00 0.00 0.00 46.02 43.69 1swq n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swq h ALA 100 N 0.00 -0.47 -0.55 4.61 0.00 -2.06 -2.33 119.26 118.47 1swq h ALA 100 Ca 0.00 -0.16 -0.74 0.00 0.00 0.00 0.00 54.91 54.01 1swq h ALA 100 Cb 0.00 0.18 -0.11 0.00 0.00 0.00 0.00 17.79 17.86 1swq h ALA 100 CO 0.00 -0.66 2.49 -1.91 0.00 0.00 0.00 179.25 179.17 1swq n GLU 101 N -5.21 3.38 -1.71 0.00 4.07 -1.26 -4.95 120.64 114.96 1swq n GLU 101 Ca -0.10 -3.16 -0.43 0.00 -0.06 0.00 0.00 57.16 53.41 1swq n GLU 101 Cb 0.25 -3.04 -0.01 0.00 -0.06 0.00 0.00 31.44 28.58 1swq n GLU 101 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1swq n ALA 102 N 4.58 1.58 -2.49 4.31 0.00 -0.88 -4.89 120.51 122.72 1swq n ALA 102 Ca 0.46 0.38 -0.09 0.00 0.00 0.00 0.00 53.44 54.19 1swq n ALA 102 Cb 0.37 -2.32 -0.09 0.00 0.00 0.00 0.00 19.45 17.41 1swq n ALA 102 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1swq s ARG 103 N -1.14 0.68 -0.19 0.00 0.52 0.28 -4.20 118.95 114.90 1swq s ARG 103 Ca 0.61 -0.95 0.01 0.00 -0.52 0.00 0.00 55.73 54.88 1swq s ARG 103 Cb -0.57 0.26 0.04 0.00 0.52 0.00 0.00 34.95 35.20 1swq s ARG 103 CO 0.56 -0.18 -0.12 0.42 0.02 0.00 0.00 175.30 176.00 1swq s ILE 104 N -3.38 1.68 -0.22 1.52 1.01 -0.42 0.11 121.20 121.50 1swq s ILE 104 Ca 0.02 -0.93 -0.09 0.00 0.00 0.00 0.00 60.65 59.65 1swq s ILE 104 Cb 0.03 -1.69 -0.05 0.00 0.01 0.00 0.00 42.46 40.77 1swq s ILE 104 CO -0.08 0.27 0.12 0.20 0.00 0.00 0.00 174.94 175.45 1swq s ASN 105 N 1.40 5.91 0.09 3.58 0.01 -0.11 -1.03 114.94 124.79 1swq s ASN 105 Ca 0.01 0.08 0.03 0.00 -0.71 0.00 0.00 52.86 52.27 1swq s ASN 105 Cb -0.15 -2.05 -0.04 0.00 0.41 0.00 0.00 41.25 39.42 1swq s ASN 105 CO -0.09 0.10 -0.08 0.42 -1.51 0.00 0.00 177.10 175.93 1swq s THR 106 N 0.86 0.77 0.04 1.60 -4.23 -0.17 -0.69 115.64 113.83 1swq s THR 106 Ca 0.06 -1.66 0.05 0.00 -1.18 0.00 0.00 61.69 58.97 1swq s THR 106 Cb -0.13 -1.35 -0.03 0.00 1.34 0.00 0.00 72.50 72.32 1swq s THR 106 CO 0.03 -0.65 -0.11 -1.10 -0.54 0.00 0.00 174.62 172.25 1swq s GLN 107 N -2.98 2.31 0.11 3.99 -0.21 0.22 -1.72 119.66 121.38 1swq s GLN 107 Ca 0.05 -0.87 0.04 0.00 0.02 0.00 0.00 55.36 54.61 1swq s GLN 107 Cb -0.01 -2.36 -0.04 0.00 1.00 0.00 0.00 33.01 31.60 1swq s GLN 107 CO -0.02 0.56 -0.11 1.67 -2.12 0.00 0.00 175.29 175.27 1swq s TRP 108 N -1.02 1.16 -0.12 0.91 1.48 0.22 -0.06 118.94 121.52 1swq s TRP 108 Ca 0.17 -0.63 0.02 0.00 -1.06 0.00 0.00 56.10 54.60 1swq s TRP 108 Cb -0.11 -0.62 0.01 0.00 -1.16 0.00 0.00 33.47 31.59 1swq s TRP 108 CO 0.08 0.04 -0.16 -0.51 -4.06 0.00 0.00 176.95 172.35 1swq s LEU 109 N -2.48 1.76 -0.30 -4.66 1.43 -0.25 -1.03 118.68 113.15 1swq s LEU 109 Ca 0.07 -0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 52.70 1swq s LEU 109 Cb -0.03 -1.14 0.05 0.00 0.03 0.00 0.00 46.19 45.10 1swq s LEU 109 CO 0.01 0.02 -0.01 -0.22 0.23 0.00 0.00 176.35 176.37 1swq s LEU 110 N 1.01 3.84 -0.15 1.79 2.96 -0.37 -0.72 118.68 127.04 1swq s LEU 110 Ca -0.06 -1.27 -0.04 0.00 -0.22 0.00 0.00 54.13 52.55 1swq s LEU 110 Cb -0.15 -1.70 -0.03 0.00 0.50 0.00 0.00 46.19 44.81 1swq s LEU 110 CO -0.02 -0.25 -0.01 -0.89 -1.32 0.00 0.00 176.35 173.86 1swq s THR 111 N 1.25 4.19 -0.10 3.68 2.01 -0.08 -0.85 115.64 125.73 1swq s THR 111 Ca -0.05 -0.26 -0.03 0.00 0.31 0.00 0.00 61.69 61.66 1swq s THR 111 Cb -0.20 -2.84 -0.03 0.00 0.01 0.00 0.00 72.50 69.44 1swq s THR 111 CO -0.01 0.50 0.02 -0.44 -0.69 0.00 0.00 174.62 174.00 1swq s SER 112 N 0.16 5.35 0.16 3.53 0.01 -0.48 -1.09 113.70 121.33 1swq s SER 112 Ca 0.00 0.16 -0.31 0.00 1.31 0.00 0.00 55.95 57.11 1swq s SER 112 Cb -0.13 -1.58 -0.10 0.00 0.21 0.00 0.00 66.02 64.42 1swq s SER 112 CO 0.02 0.36 1.52 -0.83 0.41 0.00 0.00 173.24 174.71 1swq s GLY 113 N -0.75 1.70 0.09 3.44 0.00 -0.42 -4.83 107.32 106.54 1swq s GLY 113 Ca 0.12 1.31 0.00 0.00 0.00 0.00 0.00 44.72 46.15 1swq s GLY 113 CO 0.02 2.54 -0.04 -0.51 0.00 0.00 0.00 173.10 175.12 1swq s THR 114 N 1.08 0.46 0.78 0.90 -4.23 -1.26 -5.00 115.64 108.38 1swq s THR 114 Ca 0.68 -1.89 -0.11 0.00 -1.18 0.00 0.00 61.69 59.20 1swq s THR 114 Cb -0.42 -1.67 0.06 0.00 1.34 0.00 0.00 72.50 71.81 1swq s THR 114 CO 0.31 -0.87 1.08 0.42 -0.54 0.00 0.00 174.62 175.03 1swq s THR 115 N -3.77 3.32 0.49 3.99 -4.23 -1.26 -4.84 115.64 109.34 1swq s THR 115 Ca 0.11 0.43 0.14 0.00 -1.18 0.00 0.00 61.69 61.19 1swq s THR 115 Cb 0.07 -3.01 0.25 0.00 1.34 0.00 0.00 72.50 71.15 1swq s THR 115 CO -0.06 -0.56 2.10 -0.33 -0.54 0.00 0.00 174.62 175.23 1swq h GLU 116 N -1.11 0.10 -0.15 3.99 3.07 -2.01 -1.67 114.58 116.80 1swq h GLU 116 Ca -0.45 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.40 1swq h GLU 116 Cb 1.24 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 29.12 1swq h GLU 116 CO 0.54 0.10 0.08 0.00 -1.40 0.00 0.00 179.01 178.33 1swq h ALA 117 N 1.92 1.87 -0.06 3.43 0.00 -2.06 -2.89 119.26 121.46 1swq h ALA 117 Ca 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1swq h ALA 117 Cb 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1swq h ALA 117 CO -0.00 0.11 0.00 0.09 0.00 0.00 0.00 179.25 179.45 1swq n ASN 118 N -4.50 2.12 0.18 0.00 3.02 -0.68 -4.69 115.26 110.72 1swq n ASN 118 Ca -0.01 -1.95 0.15 0.00 -0.03 0.00 0.00 54.58 52.74 1swq n ASN 118 Cb 0.09 -0.04 0.74 0.00 -0.61 0.00 0.00 39.78 39.95 1swq n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1swq h ALA 119 N 0.40 2.03 0.00 5.41 0.00 -1.20 -1.70 119.26 124.19 1swq h ALA 119 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1swq h ALA 119 Cb 0.52 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1swq h ALA 119 CO 0.00 -0.25 -0.08 0.00 0.00 0.00 0.00 179.25 178.92 1swq h ALA 120 N 1.87 1.54 -0.71 0.00 0.00 -1.83 0.28 119.26 120.40 1swq h ALA 120 Ca 0.09 -0.07 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 1swq h ALA 120 Cb 0.40 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.08 1swq h ALA 120 CO -0.00 0.10 0.22 0.36 0.00 0.00 0.00 179.25 179.93 1swq n LYS 121 N -3.97 3.97 0.08 0.00 2.85 -0.64 -4.58 118.16 115.86 1swq n LYS 121 Ca -0.02 -3.12 0.12 0.00 -1.05 0.00 0.00 58.31 54.24 1swq n LYS 121 Cb 0.17 -2.23 0.22 0.00 -0.65 0.00 0.00 35.03 32.54 1swq n LYS 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1swq h SER 122 N 2.93 0.00 -3.25 -5.58 4.64 -1.00 -3.46 113.55 107.84 1swq h SER 122 Ca 0.21 -0.15 -0.54 0.00 -0.47 0.00 0.00 61.79 60.84 1swq h SER 122 Cb 2.27 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 63.99 1swq h SER 122 CO 0.69 0.08 -0.80 -0.89 -0.87 0.00 0.00 176.83 175.04 1swq s THR 123 N -3.16 1.10 0.17 2.95 2.01 -1.26 -1.39 115.64 116.06 1swq s THR 123 Ca 0.07 -0.47 -0.10 0.00 0.31 0.00 0.00 61.69 61.49 1swq s THR 123 Cb 0.13 -1.19 -0.07 0.00 0.01 0.00 0.00 72.50 71.39 1swq s THR 123 CO 0.69 0.26 0.50 -0.76 -0.69 0.00 0.00 174.62 174.62 1swq s LEU 124 N 1.66 4.26 0.07 4.42 1.43 -0.03 -4.92 118.68 125.58 1swq s LEU 124 Ca 0.03 0.90 0.08 0.00 -1.03 0.00 0.00 54.13 54.10 1swq s LEU 124 Cb -0.14 -3.38 -0.03 0.00 0.03 0.00 0.00 46.19 42.67 1swq s LEU 124 CO -0.08 0.04 -0.21 0.54 0.23 0.00 0.00 176.35 176.87 1swq s VAL 125 N -1.62 1.71 0.00 -1.59 0.11 -1.26 -1.24 120.40 116.51 1swq s VAL 125 Ca 0.41 -1.38 0.00 0.00 -2.93 0.00 0.00 61.98 58.08 1swq s VAL 125 Cb -0.13 -1.52 0.00 0.00 -1.53 0.00 0.00 36.38 33.20 1swq s VAL 125 CO 0.20 0.08 0.00 0.61 -3.33 0.00 0.00 175.10 172.66 1swq n GLY 126 N 1.45 2.43 3.09 6.54 0.00 -0.20 -4.99 105.19 113.52 1swq n GLY 126 Ca -0.18 -0.89 -0.10 0.00 0.00 0.00 0.00 46.02 44.85 1swq n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1swq s HIS 127 N -6.09 0.13 0.00 1.61 -3.43 -1.26 -0.61 115.29 105.65 1swq s HIS 127 Ca 0.00 -0.32 -0.00 0.00 -0.80 0.00 0.00 55.06 53.94 1swq s HIS 127 Cb 0.00 -0.10 -0.00 0.00 -1.43 0.00 0.00 32.58 31.04 1swq s HIS 127 CO 0.00 -0.30 0.00 -0.51 -2.00 0.00 0.00 174.74 171.94 1swq s ASP 128 N -1.63 0.05 -0.13 7.38 1.01 -0.70 -4.94 116.67 117.71 1swq s ASP 128 Ca -0.12 -0.11 0.03 0.00 0.71 0.00 0.00 52.55 53.05 1swq s ASP 128 Cb -0.06 0.04 0.01 0.00 1.01 0.00 0.00 42.92 43.92 1swq s ASP 128 CO -0.01 -0.08 -0.22 -0.89 0.21 0.00 0.00 175.17 174.18 1swq s THR 129 N -0.38 2.12 -0.09 -1.27 2.01 -1.26 -0.99 115.64 115.77 1swq s THR 129 Ca -0.04 -0.97 -0.02 0.00 0.31 0.00 0.00 61.69 60.97 1swq s THR 129 Cb -0.03 -1.84 -0.03 0.00 0.01 0.00 0.00 72.50 70.61 1swq s THR 129 CO -0.00 0.55 -0.01 -0.36 -0.69 0.00 0.00 174.62 174.11 1swq s PHE 130 N 0.67 3.12 0.30 4.92 0.08 -0.20 -4.29 117.98 122.58 1swq s PHE 130 Ca -0.10 0.12 0.06 0.00 0.12 0.00 0.00 56.93 57.13 1swq s PHE 130 Cb -0.16 -1.80 -0.06 0.00 -0.57 0.00 0.00 43.02 40.43 1swq s PHE 130 CO 0.01 0.39 -0.02 0.95 -0.10 0.00 0.00 175.22 176.46 1swq s THR 131 N -0.72 1.53 -0.68 0.64 -4.23 0.05 -1.30 115.64 110.92 1swq s THR 131 Ca 0.11 -2.08 0.25 0.00 -1.18 0.00 0.00 61.69 58.79 1swq s THR 131 Cb -0.12 -2.57 0.22 0.00 1.34 0.00 0.00 72.50 71.38 1swq s THR 131 CO 0.02 -0.21 1.63 0.11 -0.54 0.00 0.00 174.62 175.63 1swq h LYS 132 N 2.21 0.00 0.00 3.99 1.57 -1.81 0.52 116.57 123.05 1swq h LYS 132 Ca -0.40 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 1swq h LYS 132 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1swq h LYS 132 CO 0.69 0.00 0.00 1.33 -0.57 0.00 0.00 179.45 180.90