#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1swl h ILE 17 N 0.00 1.44 -3.01 -0.61 2.04 -1.97 -3.45 117.51 111.94 1swl h ILE 17 Ca 0.00 -2.27 -0.54 0.00 1.00 0.00 0.00 64.86 63.05 1swl h ILE 17 Cb 0.00 2.21 0.08 0.00 -0.74 0.00 0.00 36.82 38.37 1swl h ILE 17 CO 0.00 0.67 0.87 0.41 0.00 0.00 0.00 178.15 180.09 1swl n THR 18 N -3.78 0.75 -1.49 -0.27 -1.04 -1.26 -4.83 114.28 102.36 1swl n THR 18 Ca -0.03 -0.19 0.00 0.00 -2.04 0.00 0.00 64.05 61.79 1swl n THR 18 Cb 0.70 -1.88 0.00 0.00 -1.82 0.00 0.00 70.33 67.33 1swl n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1swl n GLY 19 N 2.60 -0.55 3.59 3.41 0.00 -0.83 -5.02 105.19 108.39 1swl n GLY 19 Ca 0.11 -1.57 -0.35 0.00 0.00 0.00 0.00 46.02 44.22 1swl n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swl s THR 20 N -2.23 4.65 0.09 2.61 2.01 -1.26 -2.17 115.64 119.34 1swl s THR 20 Ca 0.00 -0.08 0.08 0.00 0.31 0.00 0.00 61.69 62.01 1swl s THR 20 Cb 0.00 -3.11 -0.03 0.00 0.01 0.00 0.00 72.50 69.37 1swl s THR 20 CO 0.00 0.43 -0.22 0.26 -0.69 0.00 0.00 174.62 174.41 1swl s TRP 21 N 0.65 1.85 0.01 4.92 0.52 0.17 -4.55 118.94 122.51 1swl s TRP 21 Ca 0.03 -0.40 0.05 0.00 0.02 0.00 0.00 56.10 55.80 1swl s TRP 21 Cb -0.13 -1.03 -0.02 0.00 -1.15 0.00 0.00 33.47 31.14 1swl s TRP 21 CO 0.02 0.19 -0.16 0.71 0.02 0.00 0.00 176.95 177.73 1swl s TYR 22 N -1.07 1.42 0.71 -1.98 2.02 -0.48 -0.41 117.35 117.56 1swl s TYR 22 Ca 0.07 -0.31 0.02 0.00 -0.37 0.00 0.00 57.07 56.49 1swl s TYR 22 Cb -0.10 -0.88 0.13 0.00 -0.40 0.00 0.00 41.96 40.71 1swl s TYR 22 CO 0.04 0.01 0.97 0.54 -1.57 0.00 0.00 175.55 175.54 1swl s ASN 23 N -0.71 4.41 0.00 2.29 2.20 -0.79 -1.49 114.94 120.85 1swl s ASN 23 Ca 0.05 -0.55 0.17 0.00 -0.94 0.00 0.00 52.86 51.60 1swl s ASN 23 Cb -0.07 0.19 0.98 0.00 -2.00 0.00 0.00 41.25 40.35 1swl s ASN 23 CO 0.00 -1.83 1.46 0.00 -2.94 0.00 0.00 177.10 173.80 1swl n GLN 24 N -2.74 0.44 0.00 3.55 0.00 -1.22 -2.37 117.38 115.03 1swl n GLN 24 Ca 0.16 0.05 0.08 0.00 0.00 0.00 0.00 57.00 57.29 1swl n GLN 24 Cb 0.61 -1.50 0.03 0.00 0.00 0.00 0.00 30.24 29.38 1swl n GLN 24 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1swl n LEU 25 N -1.10 2.01 0.00 2.61 4.77 -1.26 -4.97 117.00 119.06 1swl n LEU 25 Ca 0.11 -0.89 0.00 0.00 -0.03 0.00 0.00 56.01 55.21 1swl n LEU 25 Cb 0.09 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1swl n LEU 25 CO 0.11 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1swl n GLY 26 N 1.04 0.94 3.91 -0.72 0.00 -1.00 -4.81 105.19 104.54 1swl n GLY 26 Ca 0.08 -0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 1swl n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swl s SER 27 N -2.05 6.41 -0.04 1.61 0.01 -1.26 -4.59 113.70 113.78 1swl s SER 27 Ca 0.00 0.75 0.06 0.00 1.31 0.00 0.00 55.95 58.06 1swl s SER 27 Cb 0.00 -2.16 -0.02 0.00 0.21 0.00 0.00 66.02 64.05 1swl s SER 27 CO 0.00 -0.28 -0.21 -0.89 0.41 0.00 0.00 173.24 172.26 1swl s THR 28 N -2.24 2.45 -0.27 1.44 2.01 -0.40 -1.89 115.64 116.74 1swl s THR 28 Ca 0.45 -0.94 -0.02 0.00 0.31 0.00 0.00 61.69 61.48 1swl s THR 28 Cb -0.10 -1.91 0.09 0.00 0.01 0.00 0.00 72.50 70.58 1swl s THR 28 CO 0.33 0.58 0.07 0.12 -0.69 0.00 0.00 174.62 175.03 1swl s PHE 29 N -0.50 1.40 -0.38 4.92 5.36 0.45 -0.51 117.98 128.72 1swl s PHE 29 Ca 0.06 -1.38 -0.12 0.00 -0.96 0.00 0.00 56.93 54.53 1swl s PHE 29 Cb -0.11 -1.41 0.02 0.00 -0.34 0.00 0.00 43.02 41.18 1swl s PHE 29 CO 0.01 -0.78 0.23 0.42 -1.46 0.00 0.00 175.22 173.64 1swl s ILE 30 N 1.73 4.78 0.06 3.12 1.01 -0.77 0.44 121.20 131.55 1swl s ILE 30 Ca 0.05 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 59.93 1swl s ILE 30 Cb -0.17 -3.66 -0.03 0.00 0.01 0.00 0.00 42.46 38.61 1swl s ILE 30 CO -0.20 -0.25 -0.06 0.54 0.00 0.00 0.00 174.94 174.97 1swl s VAL 31 N 1.59 0.50 -0.12 2.92 0.11 -0.92 -0.63 120.40 123.85 1swl s VAL 31 Ca 0.03 -1.38 0.01 0.00 -2.93 0.00 0.00 61.98 57.70 1swl s VAL 31 Cb -0.19 -0.97 0.02 0.00 -1.53 0.00 0.00 36.38 33.71 1swl s VAL 31 CO 0.08 -0.61 -0.13 -0.89 -3.33 0.00 0.00 175.10 170.22 1swl s THR 32 N -2.31 1.39 -0.48 5.04 2.01 0.97 -1.96 115.64 120.30 1swl s THR 32 Ca -0.03 -0.55 -0.21 0.00 0.31 0.00 0.00 61.69 61.21 1swl s THR 32 Cb -0.04 -1.30 0.04 0.00 0.01 0.00 0.00 72.50 71.21 1swl s THR 32 CO -0.02 0.42 0.70 0.00 -0.69 0.00 0.00 174.62 175.02 1swl s ALA 33 N 1.25 3.32 0.82 7.40 0.00 -1.26 -1.20 121.76 132.08 1swl s ALA 33 Ca -0.02 -1.38 -0.11 0.00 0.00 0.00 0.00 51.96 50.45 1swl s ALA 33 Cb -0.14 -3.40 0.11 0.00 0.00 0.00 0.00 23.12 19.69 1swl s ALA 33 CO -0.05 -1.97 1.17 0.20 0.00 0.00 0.00 175.76 175.11 1swl s GLY 34 N 2.38 1.67 0.00 0.00 0.00 0.27 -4.89 107.32 106.74 1swl s GLY 34 Ca 0.22 -0.90 0.28 0.00 0.00 0.00 0.00 44.72 44.32 1swl s GLY 34 CO 0.17 -0.35 1.90 0.00 0.00 0.00 0.00 173.10 174.82 1swl n ALA 35 N -3.31 2.29 0.84 3.20 0.00 -1.26 -3.07 120.51 119.19 1swl n ALA 35 Ca 0.10 -0.10 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1swl n ALA 35 Cb 0.60 -1.46 0.16 0.00 0.00 0.00 0.00 19.45 18.76 1swl n ALA 35 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1swl n ASP 36 N -1.51 1.95 0.00 0.00 5.75 -1.26 -4.85 116.55 116.63 1swl n ASP 36 Ca 0.07 -2.01 0.00 0.00 -0.01 0.00 0.00 54.79 52.83 1swl n ASP 36 Cb 0.33 -0.25 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 1swl n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1swl n GLY 37 N 1.05 0.70 3.86 6.12 0.00 -1.18 -4.99 105.19 110.76 1swl n GLY 37 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 1swl n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swl s ALA 38 N -2.60 3.33 -0.14 4.61 0.00 -1.26 -0.93 121.76 124.78 1swl s ALA 38 Ca 0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 51.96 51.86 1swl s ALA 38 Cb 0.00 -2.74 0.03 0.00 0.00 0.00 0.00 23.12 20.41 1swl s ALA 38 CO 0.00 0.12 -0.10 -0.51 0.00 0.00 0.00 175.76 175.27 1swl s LEU 39 N -3.52 1.51 0.04 0.00 1.02 -0.39 -0.57 118.68 116.77 1swl s LEU 39 Ca 0.53 -0.46 0.03 0.00 0.02 0.00 0.00 54.13 54.25 1swl s LEU 39 Cb -0.10 -1.01 -0.02 0.00 0.02 0.00 0.00 46.19 45.08 1swl s LEU 39 CO 0.26 -0.11 -0.11 0.42 0.02 0.00 0.00 176.35 176.84 1swl s THR 40 N 1.59 0.80 -1.84 5.49 -4.23 -0.34 -1.28 115.64 115.83 1swl s THR 40 Ca 0.04 -0.95 0.00 0.00 -1.18 0.00 0.00 61.69 59.60 1swl s THR 40 Cb -0.13 -0.77 0.00 0.00 1.34 0.00 0.00 72.50 72.93 1swl s THR 40 CO -0.09 -0.15 0.00 0.61 -0.54 0.00 0.00 174.62 174.45 1swl n GLY 41 N 1.81 -0.61 2.93 3.99 0.00 -1.07 -0.02 105.19 112.22 1swl n GLY 41 Ca -0.19 -0.62 -0.12 0.00 0.00 0.00 0.00 46.02 45.08 1swl n GLY 41 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1swl s THR 42 N -3.48 -0.00 -0.05 2.61 -1.32 0.20 -1.14 115.64 112.46 1swl s THR 42 Ca 0.00 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 60.55 1swl s THR 42 Cb 0.00 -0.09 -0.01 0.00 -1.51 0.00 0.00 72.50 70.89 1swl s THR 42 CO 0.00 0.00 -0.25 -0.47 -2.21 0.00 0.00 174.62 171.70 1swl s TYR 43 N 0.05 2.36 -0.18 9.09 6.14 0.19 -1.85 117.35 133.15 1swl s TYR 43 Ca -0.00 -0.66 0.01 0.00 0.64 0.00 0.00 57.07 57.06 1swl s TYR 43 Cb -0.01 -1.54 0.03 0.00 0.42 0.00 0.00 41.96 40.86 1swl s TYR 43 CO -0.00 -0.19 -0.16 -2.00 0.64 0.00 0.00 175.55 173.84 1swl s GLU 44 N -0.22 2.58 0.02 4.97 2.12 0.34 -1.24 118.70 127.27 1swl s GLU 44 Ca -0.01 -0.79 -0.09 0.00 0.36 0.00 0.00 54.97 54.44 1swl s GLU 44 Cb -0.13 -2.43 -0.05 0.00 0.26 0.00 0.00 34.13 31.78 1swl s GLU 44 CO 0.03 -0.28 0.32 0.45 -0.54 0.00 0.00 175.26 175.24 1swl s SER 45 N 1.35 6.57 0.08 -1.70 0.15 -1.26 -1.27 113.70 117.62 1swl s SER 45 Ca 0.03 0.67 0.23 0.00 0.70 0.00 0.00 55.95 57.58 1swl s SER 45 Cb -0.14 -2.13 -0.02 0.00 -1.71 0.00 0.00 66.02 62.02 1swl s SER 45 CO -0.11 0.25 0.95 0.00 1.20 0.00 0.00 173.24 175.53 1swl n ALA 46 N 1.19 3.04 -2.42 5.45 0.00 -1.26 -4.78 120.51 121.72 1swl n ALA 46 Ca -0.11 -0.37 -0.22 0.00 0.00 0.00 0.00 53.44 52.74 1swl n ALA 46 Cb 0.53 -0.98 -0.10 0.00 0.00 0.00 0.00 19.45 18.90 1swl n ALA 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1swl s VAL 47 N -3.30 2.03 0.00 0.00 -7.23 -1.26 -5.06 120.40 105.58 1swl s VAL 47 Ca 0.01 -2.26 0.00 0.00 -1.81 0.00 0.00 61.98 57.91 1swl s VAL 47 Cb 0.13 -2.27 0.00 0.00 0.56 0.00 0.00 36.38 34.80 1swl s VAL 47 CO 0.81 -0.44 0.00 0.61 -0.31 0.00 0.00 175.10 175.78 1swl n GLY 48 N -0.54 -2.07 3.56 2.32 0.00 -1.26 -4.64 105.19 102.56 1swl n GLY 48 Ca -0.06 -1.64 -0.43 0.00 0.00 0.00 0.00 46.02 43.89 1swl n GLY 48 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1swl s ASN 49 N -3.74 6.87 -0.07 1.61 3.04 -1.26 -4.90 114.94 116.49 1swl s ASN 49 Ca 0.00 -2.52 -0.31 0.00 0.04 0.00 0.00 52.86 50.07 1swl s ASN 49 Cb 0.00 -2.55 0.11 0.00 -1.54 0.00 0.00 41.25 37.28 1swl s ASN 49 CO 0.00 -1.10 1.00 0.00 -3.04 0.00 0.00 177.10 173.96 1swl s ALA 50 N 3.76 -1.91 -0.27 1.71 0.00 -1.26 -4.58 121.76 119.20 1swl s ALA 50 Ca 0.52 1.22 -0.24 0.00 0.00 0.00 0.00 51.96 53.45 1swl s ALA 50 Cb 0.03 0.23 0.08 0.00 0.00 0.00 0.00 23.12 23.46 1swl s ALA 50 CO 0.06 -0.66 0.79 -1.83 0.00 0.00 0.00 175.76 174.13 1swl s GLU 51 N -2.88 0.75 2.78 0.00 -1.05 -1.26 -4.97 118.70 112.07 1swl s GLU 51 Ca 0.06 0.92 0.00 0.00 -0.15 0.00 0.00 54.97 55.80 1swl s GLU 51 Cb -0.01 0.35 0.00 0.00 -0.44 0.00 0.00 34.13 34.03 1swl s GLU 51 CO -0.08 -0.09 0.00 0.45 0.95 0.00 0.00 175.26 176.49 1swl n SER 52 N 2.67 -1.73 -4.88 0.83 2.88 -1.26 -4.87 113.62 107.26 1swl n SER 52 Ca -0.14 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.06 1swl n SER 52 Cb 0.55 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.96 1swl n SER 52 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1swl s ARG 53 N 0.00 3.36 0.07 -1.46 0.52 -1.26 -4.39 118.95 115.79 1swl s ARG 53 Ca 0.00 -0.34 0.07 0.00 -0.52 0.00 0.00 55.73 54.94 1swl s ARG 53 Cb 0.00 -3.05 -0.03 0.00 0.52 0.00 0.00 34.95 32.39 1swl s ARG 53 CO 0.00 0.68 -0.18 0.71 0.02 0.00 0.00 175.30 176.52 1swl s TYR 54 N -1.27 1.60 0.29 -0.53 1.51 -0.37 -4.89 117.35 113.69 1swl s TYR 54 Ca 0.25 -0.40 -0.29 0.00 -1.01 0.00 0.00 57.07 55.62 1swl s TYR 54 Cb -0.12 -0.91 -0.09 0.00 -0.11 0.00 0.00 41.96 40.72 1swl s TYR 54 CO 0.16 0.12 1.09 0.08 -1.11 0.00 0.00 175.55 175.90 1swl s VAL 55 N -1.04 3.50 0.16 0.71 1.01 -1.26 0.57 120.40 124.05 1swl s VAL 55 Ca 0.04 1.47 0.09 0.00 0.00 0.00 0.00 61.98 63.58 1swl s VAL 55 Cb -0.09 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 1swl s VAL 55 CO 0.03 0.32 -0.20 -1.48 0.00 0.00 0.00 175.10 173.77 1swl s LEU 56 N -1.59 2.41 0.03 3.92 0.05 -0.29 -4.42 118.68 118.80 1swl s LEU 56 Ca 0.46 -0.83 -0.14 0.00 0.05 0.00 0.00 54.13 53.67 1swl s LEU 56 Cb -0.31 -0.90 0.02 0.00 -2.05 0.00 0.00 46.19 42.95 1swl s LEU 56 CO 0.40 0.01 0.30 0.28 -0.55 0.00 0.00 176.35 176.79 1swl s THR 57 N -1.84 0.08 0.00 5.48 -1.32 -0.94 -2.60 115.64 114.50 1swl s THR 57 Ca 0.15 -0.63 0.00 0.00 -1.21 0.00 0.00 61.69 60.00 1swl s THR 57 Cb -0.07 -0.85 0.00 0.00 -1.51 0.00 0.00 72.50 70.07 1swl s THR 57 CO 0.07 -0.35 0.00 0.61 -2.21 0.00 0.00 174.62 172.74 1swl n GLY 58 N 0.77 1.81 3.10 6.08 0.00 -0.40 -1.62 105.19 114.92 1swl n GLY 58 Ca -0.19 -0.77 -0.08 0.00 0.00 0.00 0.00 46.02 44.97 1swl n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1swl s ARG 59 N -0.08 0.63 0.13 1.61 1.81 -0.81 -1.26 118.95 120.97 1swl s ARG 59 Ca 0.00 -1.16 -0.10 0.00 -1.72 0.00 0.00 55.73 52.75 1swl s ARG 59 Cb 0.00 0.09 0.00 0.00 -0.45 0.00 0.00 34.95 34.59 1swl s ARG 59 CO 0.00 -0.08 0.26 1.52 -0.68 0.00 0.00 175.30 176.33 1swl s TYR 60 N -3.49 0.19 -0.43 -0.53 1.13 -0.10 -1.82 117.35 112.30 1swl s TYR 60 Ca 0.05 -0.58 -0.29 0.00 -1.41 0.00 0.00 57.07 54.84 1swl s TYR 60 Cb 0.05 -0.00 0.01 0.00 -1.10 0.00 0.00 41.96 40.91 1swl s TYR 60 CO -0.07 -0.64 1.48 0.34 -2.51 0.00 0.00 175.55 174.14 1swl s ASP 61 N -2.90 6.21 0.00 -0.18 -1.08 -0.31 -4.62 116.67 113.79 1swl s ASP 61 Ca 0.09 0.80 0.30 0.00 -0.52 0.00 0.00 52.55 53.23 1swl s ASP 61 Cb 0.04 -2.54 1.54 0.00 -1.46 0.00 0.00 42.92 40.49 1swl s ASP 61 CO -0.07 -1.54 2.02 -1.54 0.52 0.00 0.00 175.17 174.56 1swl n SER 62 N 9.26 0.50 -3.11 -0.34 3.41 -1.26 -4.28 113.62 117.81 1swl n SER 62 Ca 0.17 -1.03 -0.18 0.00 -0.26 0.00 0.00 58.87 57.57 1swl n SER 62 Cb 0.48 -0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 64.36 1swl n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1swl n ALA 63 N -0.67 0.89 -1.73 7.33 0.00 -1.26 -5.06 120.51 120.01 1swl n ALA 63 Ca 0.21 -2.31 -0.30 0.00 0.00 0.00 0.00 53.44 51.04 1swl n ALA 63 Cb 0.21 -1.05 0.06 0.00 0.00 0.00 0.00 19.45 18.67 1swl n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1swl s PRO 64 N 0.25 2.64 0.35 0.00 0.04 -1.26 -5.00 135.00 132.02 1swl s PRO 64 Ca 0.32 0.60 -0.25 0.00 0.04 0.00 0.00 61.00 61.70 1swl s PRO 64 Cb 0.05 -1.99 -0.13 0.00 0.04 0.00 0.00 34.50 32.48 1swl s PRO 64 CO -0.14 -1.22 0.82 0.00 0.04 0.00 0.00 177.00 176.50 1swl n ALA 65 N -3.15 -0.78 0.69 8.56 0.00 -1.26 -4.95 120.51 119.62 1swl n ALA 65 Ca 0.07 0.29 0.12 0.00 0.00 0.00 0.00 53.44 53.92 1swl n ALA 65 Cb 0.56 -1.92 0.26 0.00 0.00 0.00 0.00 19.45 18.36 1swl n ALA 65 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1swl n THR 66 N -0.31 0.31 -0.56 0.00 5.66 -1.26 -4.46 114.28 113.67 1swl n THR 66 Ca 0.11 -0.21 -0.02 0.00 -3.05 0.00 0.00 64.05 60.89 1swl n THR 66 Cb 0.35 -0.18 -0.03 0.00 -1.55 0.00 0.00 70.33 68.93 1swl n THR 66 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 1swl n ASP 67 N -1.98 5.11 0.00 1.09 5.68 -1.26 -4.78 116.55 120.41 1swl n ASP 67 Ca 0.04 -2.37 0.00 0.00 -0.50 0.00 0.00 54.79 51.97 1swl n ASP 67 Cb 0.41 -1.13 0.00 0.00 -1.14 0.00 0.00 41.12 39.26 1swl n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1swl n GLY 68 N 1.68 0.44 3.89 6.12 0.00 -1.26 -4.99 105.19 111.06 1swl n GLY 68 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 1swl n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swl s SER 69 N -2.34 5.40 0.74 1.61 0.01 -1.26 -5.07 113.70 112.79 1swl s SER 69 Ca 0.00 1.05 -0.02 0.00 1.31 0.00 0.00 55.95 58.29 1swl s SER 69 Cb 0.00 -1.85 0.14 0.00 0.21 0.00 0.00 66.02 64.52 1swl s SER 69 CO 0.00 -1.34 1.02 -0.83 0.41 0.00 0.00 173.24 172.50 1swl s GLY 70 N -4.37 1.76 -0.44 3.44 0.00 -1.26 -4.87 107.32 101.57 1swl s GLY 70 Ca 0.58 -1.73 -0.18 0.00 0.00 0.00 0.00 44.72 43.39 1swl s GLY 70 CO 0.51 -1.13 0.50 -1.59 0.00 0.00 0.00 173.10 171.38 1swl s THR 71 N -3.20 5.02 0.32 0.90 2.01 -0.93 -4.84 115.64 114.93 1swl s THR 71 Ca 0.67 -0.37 -0.29 0.00 0.31 0.00 0.00 61.69 62.01 1swl s THR 71 Cb -0.05 -4.12 -0.10 0.00 0.01 0.00 0.00 72.50 68.24 1swl s THR 71 CO 0.45 -0.53 1.30 0.00 -0.69 0.00 0.00 174.62 175.15 1swl s ALA 72 N 2.29 3.50 0.21 7.40 0.00 -1.26 -1.12 121.76 132.78 1swl s ALA 72 Ca 0.13 1.24 -0.12 0.00 0.00 0.00 0.00 51.96 53.21 1swl s ALA 72 Cb -0.18 -3.47 -0.00 0.00 0.00 0.00 0.00 23.12 19.47 1swl s ALA 72 CO 0.13 -0.62 0.42 -0.48 0.00 0.00 0.00 175.76 175.22 1swl s LEU 73 N -1.66 0.47 0.19 0.00 2.34 -0.18 -1.16 118.68 118.68 1swl s LEU 73 Ca 0.49 -0.84 -0.23 0.00 0.06 0.00 0.00 54.13 53.61 1swl s LEU 73 Cb -0.39 1.64 0.06 0.00 -0.56 0.00 0.00 46.19 46.93 1swl s LEU 73 CO 0.51 -1.05 0.64 -0.83 -1.06 0.00 0.00 176.35 174.56 1swl s GLY 74 N -2.98 -0.49 0.23 -3.48 0.00 -0.75 -1.35 107.32 98.49 1swl s GLY 74 Ca 0.19 0.30 -0.20 0.00 0.00 0.00 0.00 44.72 45.01 1swl s GLY 74 CO 0.04 0.10 0.63 0.66 0.00 0.00 0.00 173.10 174.54 1swl s TRP 75 N -3.78 -0.24 0.02 1.90 -2.14 -0.83 -1.92 118.94 111.95 1swl s TRP 75 Ca 0.04 -0.11 0.05 0.00 2.66 0.00 0.00 56.10 58.73 1swl s TRP 75 Cb -0.02 0.57 -0.02 0.00 -3.10 0.00 0.00 33.47 30.90 1swl s TRP 75 CO -0.08 -1.04 -0.14 0.99 -2.66 0.00 0.00 176.95 174.02 1swl s THR 76 N -3.87 1.09 -0.09 0.66 2.01 -0.64 -0.86 115.64 113.94 1swl s THR 76 Ca 0.08 -0.87 0.01 0.00 0.31 0.00 0.00 61.69 61.22 1swl s THR 76 Cb -0.03 -0.96 0.02 0.00 0.01 0.00 0.00 72.50 71.53 1swl s THR 76 CO -0.01 0.09 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.21 1swl s VAL 77 N -0.70 1.14 -0.21 3.82 1.01 -0.78 -2.21 120.40 122.47 1swl s VAL 77 Ca 0.02 -0.42 -0.16 0.00 0.00 0.00 0.00 61.98 61.43 1swl s VAL 77 Cb -0.07 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 1swl s VAL 77 CO 0.01 0.37 0.42 0.00 0.00 0.00 0.00 175.10 175.90 1swl s ALA 78 N 1.18 3.56 -1.18 5.51 0.00 -1.26 -1.14 121.76 128.43 1swl s ALA 78 Ca -0.04 -0.55 -0.07 0.00 0.00 0.00 0.00 51.96 51.29 1swl s ALA 78 Cb -0.14 -2.69 -0.04 0.00 0.00 0.00 0.00 23.12 20.25 1swl s ALA 78 CO -0.03 -0.40 2.88 0.91 0.00 0.00 0.00 175.76 179.13 1swl n TRP 79 N 4.71 2.03 -4.72 0.00 7.02 0.13 -4.77 117.44 121.84 1swl n TRP 79 Ca -0.08 -2.67 -0.30 0.00 -1.02 0.00 0.00 57.50 53.44 1swl n TRP 79 Cb 0.51 -2.06 -0.17 0.00 -2.42 0.00 0.00 31.31 27.17 1swl n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1swl s LYS 80 N 0.66 2.54 0.00 -0.99 2.20 -1.26 -1.75 119.74 121.14 1swl s LYS 80 Ca 0.64 -0.69 0.00 0.00 -0.36 0.00 0.00 55.97 55.56 1swl s LYS 80 Cb 0.22 -2.05 0.00 0.00 -1.51 0.00 0.00 37.83 34.49 1swl s LYS 80 CO -0.08 0.02 0.00 0.27 -0.36 0.00 0.00 175.35 175.21 1swl n ASN 81 N 3.94 0.00 0.08 1.43 0.23 -0.76 -4.84 115.26 115.34 1swl n ASN 81 Ca -0.20 -0.39 0.12 0.00 -0.53 0.00 0.00 54.58 53.59 1swl n ASN 81 Cb 0.52 0.00 0.46 0.00 -2.08 0.00 0.00 39.78 38.68 1swl n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1swl n ASN 82 N -1.08 0.51 -0.07 0.53 5.03 -1.26 -3.79 115.26 115.13 1swl n ASN 82 Ca 0.00 0.58 -0.14 0.00 0.87 0.00 0.00 54.58 55.88 1swl n ASN 82 Cb 0.00 -0.70 -0.14 0.00 -1.02 0.00 0.00 39.78 37.92 1swl n ASN 82 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1swl n TYR 83 N -2.01 0.52 -3.82 3.10 4.01 -1.26 -5.05 117.16 112.65 1swl n TYR 83 Ca 0.05 0.15 -0.06 0.00 -0.16 0.00 0.00 57.90 57.88 1swl n TYR 83 Cb 0.33 -1.08 -0.01 0.00 -0.31 0.00 0.00 39.34 38.27 1swl n TYR 83 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1swl s ARG 84 N -2.54 1.63 -0.23 -0.72 1.70 -1.25 -5.06 118.95 112.48 1swl s ARG 84 Ca -0.18 -0.95 -0.03 0.00 -0.47 0.00 0.00 55.73 54.10 1swl s ARG 84 Cb 0.07 0.52 0.07 0.00 -0.57 0.00 0.00 34.95 35.05 1swl s ARG 84 CO 0.76 -0.75 0.07 1.21 -1.08 0.00 0.00 175.30 175.51 1swl s ASN 85 N -3.01 3.15 0.00 -2.89 3.84 -1.26 -1.83 114.94 112.94 1swl s ASN 85 Ca 0.13 -1.03 0.30 0.00 0.21 0.00 0.00 52.86 52.47 1swl s ASN 85 Cb -0.04 -0.55 1.42 0.00 -0.55 0.00 0.00 41.25 41.53 1swl s ASN 85 CO 0.06 -0.36 1.96 0.00 -2.79 0.00 0.00 177.10 175.97 1swl n ALA 86 N 5.08 2.67 -3.56 1.71 0.00 -0.71 -4.96 120.51 120.73 1swl n ALA 86 Ca -0.07 -0.31 -0.19 0.00 0.00 0.00 0.00 53.44 52.87 1swl n ALA 86 Cb 0.45 -1.34 0.06 0.00 0.00 0.00 0.00 19.45 18.63 1swl n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1swl n HIS 87 N -0.54 -2.05 -3.76 0.00 8.25 -1.26 -4.86 115.22 111.00 1swl n HIS 87 Ca 0.20 0.88 -0.04 0.00 -0.26 0.00 0.00 57.72 58.50 1swl n HIS 87 Cb 0.24 -4.71 -0.01 0.00 1.12 0.00 0.00 29.99 26.63 1swl n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1swl s SER 88 N -4.34 -0.19 0.02 0.41 1.04 -1.26 -1.01 113.70 108.37 1swl s SER 88 Ca 0.01 -0.42 -0.12 0.00 0.48 0.00 0.00 55.95 55.90 1swl s SER 88 Cb -0.00 0.51 0.01 0.00 0.10 0.00 0.00 66.02 66.64 1swl s SER 88 CO 0.77 -0.94 0.25 0.00 0.98 0.00 0.00 173.24 174.31 1swl s ALA 89 N -3.34 -0.57 -0.04 5.32 0.00 -0.24 -0.69 121.76 122.20 1swl s ALA 89 Ca 0.12 -0.01 0.04 0.00 0.00 0.00 0.00 51.96 52.11 1swl s ALA 89 Cb -0.02 0.22 -0.00 0.00 0.00 0.00 0.00 23.12 23.32 1swl s ALA 89 CO 0.03 -0.33 -0.15 0.99 0.00 0.00 0.00 175.76 176.29 1swl s THR 90 N -2.11 1.29 -0.09 0.00 2.01 -0.29 -0.79 115.64 115.66 1swl s THR 90 Ca -0.08 -0.64 0.03 0.00 0.31 0.00 0.00 61.69 61.31 1swl s THR 90 Cb -0.03 -1.11 -0.01 0.00 0.01 0.00 0.00 72.50 71.36 1swl s THR 90 CO -0.01 0.38 -0.20 0.42 -0.69 0.00 0.00 174.62 174.52 1swl s THR 91 N 0.04 2.45 -0.11 -0.82 -4.23 -0.14 -1.86 115.64 110.97 1swl s THR 91 Ca -0.03 -0.90 -0.04 0.00 -1.18 0.00 0.00 61.69 59.54 1swl s THR 91 Cb -0.11 -1.96 -0.04 0.00 1.34 0.00 0.00 72.50 71.74 1swl s THR 91 CO 0.02 0.55 0.06 0.26 -0.54 0.00 0.00 174.62 174.97 1swl s TRP 92 N 0.12 3.33 -0.04 3.99 0.51 -0.04 -1.66 118.94 125.14 1swl s TRP 92 Ca -0.10 0.29 0.01 0.00 -2.12 0.00 0.00 56.10 54.19 1swl s TRP 92 Cb -0.16 -1.88 0.02 0.00 -0.81 0.00 0.00 33.47 30.64 1swl s TRP 92 CO 0.06 0.52 -0.06 0.45 -0.51 0.00 0.00 176.95 177.41 1swl s SER 93 N -0.77 1.05 0.00 2.95 0.15 0.55 -1.97 113.70 115.66 1swl s SER 93 Ca 0.12 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.62 1swl s SER 93 Cb -0.12 -0.48 0.00 0.00 -1.71 0.00 0.00 66.02 63.72 1swl s SER 93 CO 0.03 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.05 1swl n GLY 94 N 3.88 1.10 3.04 9.45 0.00 -0.46 -0.88 105.19 121.32 1swl n GLY 94 Ca -0.24 -0.58 -0.11 0.00 0.00 0.00 0.00 46.02 45.10 1swl n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1swl s GLN 95 N 1.12 0.35 -0.02 1.61 -2.07 -0.66 -1.01 119.66 118.98 1swl s GLN 95 Ca 0.00 -0.39 -0.18 0.00 -1.82 0.00 0.00 55.36 52.97 1swl s GLN 95 Cb 0.00 0.14 -0.05 0.00 -1.09 0.00 0.00 33.01 32.01 1swl s GLN 95 CO 0.00 -0.07 0.50 -0.47 -1.32 0.00 0.00 175.29 173.93 1swl s TYR 96 N -1.16 3.67 -0.23 9.60 5.04 -0.27 -1.76 117.35 132.24 1swl s TYR 96 Ca -0.13 1.07 0.02 0.00 -2.44 0.00 0.00 57.07 55.59 1swl s TYR 96 Cb -0.07 -2.48 0.05 0.00 0.35 0.00 0.00 41.96 39.80 1swl s TYR 96 CO 0.00 0.43 -0.14 0.08 -1.34 0.00 0.00 175.55 174.58 1swl s VAL 97 N -0.39 2.09 0.05 3.14 1.01 0.52 -2.19 120.40 124.64 1swl s VAL 97 Ca 0.27 -1.36 -0.26 0.00 0.00 0.00 0.00 61.98 60.63 1swl s VAL 97 Cb -0.17 -2.10 -0.05 0.00 0.00 0.00 0.00 36.38 34.06 1swl s VAL 97 CO 0.14 0.17 0.81 -0.83 0.00 0.00 0.00 175.10 175.39 1swl s GLY 98 N 1.19 2.83 0.00 4.51 0.00 -1.26 -0.76 107.32 113.82 1swl s GLY 98 Ca -0.04 0.35 0.00 0.00 0.00 0.00 0.00 44.72 45.03 1swl s GLY 98 CO -0.08 1.20 0.00 0.61 0.00 0.00 0.00 173.10 174.83 1swl n GLY 99 N 2.42 1.07 0.30 0.20 0.00 -1.26 -4.93 105.19 102.99 1swl n GLY 99 Ca -0.01 -0.81 0.04 0.00 0.00 0.00 0.00 46.02 45.25 1swl n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swl h ALA 100 N 2.00 1.20 -3.31 4.61 0.00 -2.06 -3.22 119.26 118.48 1swl h ALA 100 Ca 0.00 0.06 -0.64 0.00 0.00 0.00 0.00 54.91 54.33 1swl h ALA 100 Cb 0.00 -0.08 -0.41 0.00 0.00 0.00 0.00 17.79 17.30 1swl h ALA 100 CO 0.00 0.01 -0.61 -1.21 0.00 0.00 0.00 179.25 177.43 1swl s GLU 101 N -6.01 2.10 0.12 0.00 2.02 -1.26 -5.07 118.70 110.60 1swl s GLU 101 Ca -0.12 -2.80 -0.34 0.00 0.02 0.00 0.00 54.97 51.72 1swl s GLU 101 Cb 0.20 -3.35 -0.14 0.00 0.10 0.00 0.00 34.13 30.94 1swl s GLU 101 CO 0.78 -1.15 1.60 0.00 0.02 0.00 0.00 175.26 176.50 1swl n ALA 102 N 2.83 1.08 -3.21 5.21 0.00 -1.22 -4.93 120.51 120.27 1swl n ALA 102 Ca 0.09 0.43 -0.13 0.00 0.00 0.00 0.00 53.44 53.83 1swl n ALA 102 Cb 0.33 -2.35 -0.09 0.00 0.00 0.00 0.00 19.45 17.34 1swl n ALA 102 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1swl s ARG 103 N 1.32 0.58 -0.29 0.00 1.70 0.06 -4.25 118.95 118.06 1swl s ARG 103 Ca 0.81 -0.10 -0.06 0.00 -0.47 0.00 0.00 55.73 55.91 1swl s ARG 103 Cb -0.71 0.26 0.02 0.00 -0.57 0.00 0.00 34.95 33.94 1swl s ARG 103 CO 0.41 -0.14 0.06 0.42 -1.08 0.00 0.00 175.30 174.96 1swl s ILE 104 N -1.04 3.74 -0.23 4.99 1.01 -0.31 -0.35 121.20 129.01 1swl s ILE 104 Ca -0.11 -0.81 -0.10 0.00 0.00 0.00 0.00 60.65 59.63 1swl s ILE 104 Cb -0.05 -2.95 -0.05 0.00 0.01 0.00 0.00 42.46 39.42 1swl s ILE 104 CO 0.03 0.07 0.15 0.20 0.00 0.00 0.00 174.94 175.39 1swl s ASN 105 N 1.45 6.12 0.20 3.58 0.01 -0.72 -0.67 114.94 124.91 1swl s ASN 105 Ca 0.02 0.14 0.02 0.00 -0.71 0.00 0.00 52.86 52.32 1swl s ASN 105 Cb -0.17 -2.10 -0.05 0.00 0.41 0.00 0.00 41.25 39.34 1swl s ASN 105 CO 0.01 0.09 0.02 0.42 -1.51 0.00 0.00 177.10 176.13 1swl s THR 106 N 0.88 0.75 0.13 1.60 -4.23 0.39 -1.66 115.64 113.50 1swl s THR 106 Ca 0.08 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.69 1swl s THR 106 Cb -0.13 -2.27 -0.04 0.00 1.34 0.00 0.00 72.50 71.40 1swl s THR 106 CO 0.03 -0.35 -0.25 -1.10 -0.54 0.00 0.00 174.62 172.41 1swl s GLN 107 N -3.92 1.34 0.11 3.99 -0.21 -0.06 -1.84 119.66 119.07 1swl s GLN 107 Ca 0.28 -1.32 0.06 0.00 0.02 0.00 0.00 55.36 54.40 1swl s GLN 107 Cb 0.06 -1.76 -0.04 0.00 1.00 0.00 0.00 33.01 32.28 1swl s GLN 107 CO 0.07 0.41 -0.14 -0.59 -2.12 0.00 0.00 175.29 172.92 1swl s PHE 108 N -1.14 1.36 -0.12 0.91 -0.12 -0.22 -0.33 117.98 118.32 1swl s PHE 108 Ca 0.13 -0.54 0.01 0.00 -0.05 0.00 0.00 56.93 56.48 1swl s PHE 108 Cb -0.10 -0.72 0.02 0.00 -0.63 0.00 0.00 43.02 41.59 1swl s PHE 108 CO 0.06 0.12 -0.14 -0.51 -0.05 0.00 0.00 175.22 174.70 1swl s LEU 109 N -2.32 1.66 -0.26 -1.99 1.43 -0.67 -2.08 118.68 114.46 1swl s LEU 109 Ca 0.07 -0.42 -0.01 0.00 -1.03 0.00 0.00 54.13 52.74 1swl s LEU 109 Cb -0.06 -1.08 0.04 0.00 0.03 0.00 0.00 46.19 45.12 1swl s LEU 109 CO 0.03 -0.01 -0.07 -0.22 0.23 0.00 0.00 176.35 176.31 1swl s LEU 110 N 1.15 3.31 -0.16 1.79 2.96 0.13 -0.97 118.68 126.89 1swl s LEU 110 Ca -0.03 -1.04 -0.04 0.00 -0.22 0.00 0.00 54.13 52.80 1swl s LEU 110 Cb -0.14 -1.64 -0.03 0.00 0.50 0.00 0.00 46.19 44.88 1swl s LEU 110 CO -0.04 -0.16 -0.03 -0.89 -1.32 0.00 0.00 176.35 173.91 1swl s THR 111 N 1.26 3.94 -0.12 3.68 2.01 0.03 -0.33 115.64 126.12 1swl s THR 111 Ca -0.02 -0.34 -0.05 0.00 0.31 0.00 0.00 61.69 61.59 1swl s THR 111 Cb -0.18 -2.73 -0.04 0.00 0.01 0.00 0.00 72.50 69.57 1swl s THR 111 CO -0.04 0.49 0.06 -0.44 -0.69 0.00 0.00 174.62 173.99 1swl s SER 112 N 0.40 5.68 0.17 3.53 0.01 -0.39 -1.08 113.70 122.02 1swl s SER 112 Ca -0.03 0.23 -0.32 0.00 1.31 0.00 0.00 55.95 57.14 1swl s SER 112 Cb -0.14 -1.77 -0.10 0.00 0.21 0.00 0.00 66.02 64.21 1swl s SER 112 CO 0.03 0.34 1.59 -0.83 0.41 0.00 0.00 173.24 174.78 1swl s GLY 113 N -0.63 1.52 0.18 3.44 0.00 -0.18 -4.82 107.32 106.83 1swl s GLY 113 Ca 0.11 1.41 0.02 0.00 0.00 0.00 0.00 44.72 46.26 1swl s GLY 113 CO 0.02 2.66 0.01 -0.51 0.00 0.00 0.00 173.10 175.29 1swl s THR 114 N 1.13 0.70 0.93 0.90 -4.23 -1.26 -5.01 115.64 108.80 1swl s THR 114 Ca 0.71 -1.99 -0.14 0.00 -1.18 0.00 0.00 61.69 59.09 1swl s THR 114 Cb -0.45 -2.17 0.15 0.00 1.34 0.00 0.00 72.50 71.38 1swl s THR 114 CO 0.31 -0.43 1.18 0.42 -0.54 0.00 0.00 174.62 175.57 1swl s THR 115 N -3.65 1.96 0.30 3.99 -4.23 -1.26 -4.88 115.64 107.87 1swl s THR 115 Ca 0.25 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.75 1swl s THR 115 Cb 0.06 -2.83 0.27 0.00 1.34 0.00 0.00 72.50 71.34 1swl s THR 115 CO 0.05 0.00 1.94 -0.33 -0.54 0.00 0.00 174.62 175.74 1swl h GLU 116 N -1.55 1.07 -0.65 3.99 4.39 -2.02 -2.74 114.58 117.08 1swl h GLU 116 Ca -0.48 -0.06 0.09 0.00 0.34 0.00 0.00 59.36 59.25 1swl h GLU 116 Cb 1.31 -0.24 -0.07 0.00 -0.10 0.00 0.00 28.75 29.65 1swl h GLU 116 CO 0.55 0.71 0.30 0.00 -1.16 0.00 0.00 179.01 179.40 1swl h ALA 117 N 1.48 0.87 -0.38 3.43 0.00 -2.07 -2.79 119.26 119.81 1swl h ALA 117 Ca 0.35 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1swl h ALA 117 Cb 0.03 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1swl h ALA 117 CO -0.11 -0.10 0.00 0.09 0.00 0.00 0.00 179.25 179.13 1swl n ASN 118 N -4.91 4.41 0.33 0.00 3.02 -1.09 -4.58 115.26 112.45 1swl n ASN 118 Ca 0.09 -2.89 0.21 0.00 -0.03 0.00 0.00 54.58 51.95 1swl n ASN 118 Cb 0.25 -0.57 1.13 0.00 -0.61 0.00 0.00 39.78 39.98 1swl n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1swl h ALA 119 N 2.59 1.15 0.00 5.41 0.00 -1.20 -0.89 119.26 126.32 1swl h ALA 119 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1swl h ALA 119 Cb 1.55 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1swl h ALA 119 CO 0.29 0.00 0.00 0.11 0.00 0.00 0.00 179.25 179.65 1swl h TRP 120 N 0.00 0.00 -0.07 0.00 5.08 -1.82 -2.01 115.95 117.13 1swl h TRP 120 Ca -0.00 0.00 -0.08 0.00 1.08 0.00 0.00 58.89 59.89 1swl h TRP 120 Cb 0.01 0.00 -0.12 0.00 -3.00 0.00 0.00 29.16 26.05 1swl h TRP 120 CO 0.00 0.00 -0.64 0.36 -1.28 0.00 0.00 178.44 176.88 1swl n LYS 121 N -2.60 1.43 0.06 0.12 -0.00 -0.34 -4.76 118.16 112.07 1swl n LYS 121 Ca 0.00 -3.12 0.12 0.00 -0.00 0.00 0.00 58.31 55.31 1swl n LYS 121 Cb 0.18 -1.35 0.22 0.00 -0.00 0.00 0.00 35.03 34.08 1swl n LYS 121 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1swl n SER 122 N -0.76 0.70 -4.04 -5.58 3.41 -0.76 -4.89 113.62 101.71 1swl n SER 122 Ca 0.18 0.19 -0.29 0.00 -0.26 0.00 0.00 58.87 58.68 1swl n SER 122 Cb 0.80 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.59 1swl n SER 122 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1swl s THR 123 N -3.15 1.53 -0.07 6.66 2.01 -1.26 -1.26 115.64 120.10 1swl s THR 123 Ca 0.07 -0.64 -0.07 0.00 0.31 0.00 0.00 61.69 61.36 1swl s THR 123 Cb 0.13 -1.42 -0.04 0.00 0.01 0.00 0.00 72.50 71.18 1swl s THR 123 CO 0.70 0.45 0.19 -0.76 -0.69 0.00 0.00 174.62 174.51 1swl s LEU 124 N 1.21 4.39 -0.04 4.42 1.43 0.56 -4.91 118.68 125.74 1swl s LEU 124 Ca -0.02 0.52 0.05 0.00 -1.03 0.00 0.00 54.13 53.65 1swl s LEU 124 Cb -0.14 -2.30 -0.01 0.00 0.03 0.00 0.00 46.19 43.78 1swl s LEU 124 CO -0.05 0.36 -0.19 0.54 0.23 0.00 0.00 176.35 177.23 1swl s VAL 125 N -1.12 1.53 0.00 -1.59 0.11 -1.26 0.17 120.40 118.24 1swl s VAL 125 Ca 0.20 -0.79 0.00 0.00 -2.93 0.00 0.00 61.98 58.45 1swl s VAL 125 Cb -0.13 -1.30 0.00 0.00 -1.53 0.00 0.00 36.38 33.42 1swl s VAL 125 CO 0.09 0.44 0.00 0.61 -3.33 0.00 0.00 175.10 172.91 1swl n GLY 126 N 2.94 2.50 2.96 6.54 0.00 -0.88 -4.99 105.19 114.27 1swl n GLY 126 Ca -0.17 -0.98 -0.13 0.00 0.00 0.00 0.00 46.02 44.75 1swl n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1swl s HIS 127 N -6.57 -0.11 0.00 1.61 -3.43 -1.26 -1.05 115.29 104.47 1swl s HIS 127 Ca 0.00 0.29 0.05 0.00 -0.80 0.00 0.00 55.06 54.61 1swl s HIS 127 Cb 0.00 0.02 -0.01 0.00 -1.43 0.00 0.00 32.58 31.15 1swl s HIS 127 CO 0.00 -0.07 -0.16 -0.51 -2.00 0.00 0.00 174.74 172.00 1swl s ASP 128 N 0.22 1.91 -0.14 7.38 1.01 -0.76 -4.99 116.67 121.30 1swl s ASP 128 Ca -0.01 -0.34 0.01 0.00 0.71 0.00 0.00 52.55 52.92 1swl s ASP 128 Cb -0.02 -0.19 -0.01 0.00 1.01 0.00 0.00 42.92 43.71 1swl s ASP 128 CO -0.01 0.17 -0.16 -0.89 0.21 0.00 0.00 175.17 174.49 1swl s THR 129 N -0.49 2.66 0.07 -1.27 2.01 -1.26 -0.46 115.64 116.91 1swl s THR 129 Ca 0.06 -0.78 0.06 0.00 0.31 0.00 0.00 61.69 61.33 1swl s THR 129 Cb -0.07 -2.11 -0.04 0.00 0.01 0.00 0.00 72.50 70.30 1swl s THR 129 CO -0.00 0.53 -0.10 -0.36 -0.69 0.00 0.00 174.62 173.99 1swl s PHE 130 N 0.60 2.76 0.03 4.92 0.40 0.15 -3.42 117.98 123.41 1swl s PHE 130 Ca -0.09 -0.14 0.01 0.00 -0.60 0.00 0.00 56.93 56.11 1swl s PHE 130 Cb -0.16 -1.48 -0.02 0.00 0.51 0.00 0.00 43.02 41.87 1swl s PHE 130 CO 0.03 0.39 -0.05 0.99 0.70 0.00 0.00 175.22 177.28 1swl s THR 131 N -1.13 0.32 -0.67 0.64 2.01 -0.56 -1.17 115.64 115.09 1swl s THR 131 Ca 0.20 -1.04 0.25 0.00 0.31 0.00 0.00 61.69 61.41 1swl s THR 131 Cb -0.11 -0.49 0.27 0.00 0.01 0.00 0.00 72.50 72.19 1swl s THR 131 CO 0.11 -0.47 1.70 0.11 -0.69 0.00 0.00 174.62 175.38 1swl h LYS 132 N 4.50 0.00 -5.84 4.92 1.79 -1.80 -1.26 116.57 118.88 1swl h LYS 132 Ca -0.34 0.00 -0.64 0.00 -2.18 0.00 0.00 60.65 57.50 1swl h LYS 132 Cb 1.20 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.79 1swl h LYS 132 CO 0.42 0.00 -0.32 0.08 -1.08 0.00 0.00 179.45 178.55 1swl s VAL 133 N -3.13 5.24 -2.00 0.50 1.01 -1.26 -4.84 120.40 115.92 1swl s VAL 133 Ca 0.10 0.56 0.20 0.00 0.00 0.00 0.00 61.98 62.84 1swl s VAL 133 Cb 0.11 -3.58 0.56 0.00 0.00 0.00 0.00 36.38 33.47 1swl s VAL 133 CO 0.62 0.59 1.56 1.17 0.00 0.00 0.00 175.10 179.05