#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 1.38 -2.88 -0.61 2.04 -1.99 -3.44 117.51 112.01 1swh h ILE 17 Ca 0.00 -2.50 -0.57 0.00 1.00 0.00 0.00 64.86 62.79 1swh h ILE 17 Cb 0.00 2.52 0.08 0.00 -0.74 0.00 0.00 36.82 38.69 1swh h ILE 17 CO 0.00 0.75 0.71 0.41 0.00 0.00 0.00 178.15 180.02 1swh n THR 18 N -3.74 0.97 -1.26 -0.27 -1.04 -1.26 -4.81 114.28 102.87 1swh n THR 18 Ca -0.09 -0.24 0.00 0.00 -2.04 0.00 0.00 64.05 61.68 1swh n THR 18 Cb 0.89 -1.65 0.00 0.00 -1.82 0.00 0.00 70.33 67.75 1swh n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1swh n GLY 19 N 2.17 0.28 3.63 3.41 0.00 -0.83 -5.02 105.19 108.84 1swh n GLY 19 Ca 0.11 -1.69 -0.35 0.00 0.00 0.00 0.00 46.02 44.09 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 -2.40 4.78 0.16 2.61 2.01 -1.26 -1.42 115.64 120.11 1swh s THR 20 Ca 0.00 -0.03 0.09 0.00 0.31 0.00 0.00 61.69 62.05 1swh s THR 20 Cb 0.00 -3.16 -0.04 0.00 0.01 0.00 0.00 72.50 69.31 1swh s THR 20 CO 0.00 0.45 -0.20 0.26 -0.69 0.00 0.00 174.62 174.44 1swh s TRP 21 N 0.45 1.88 -0.01 4.92 0.52 0.16 -4.58 118.94 122.28 1swh s TRP 21 Ca 0.03 -0.44 0.03 0.00 0.02 0.00 0.00 56.10 55.74 1swh s TRP 21 Cb -0.13 -0.96 -0.01 0.00 -1.15 0.00 0.00 33.47 31.23 1swh s TRP 21 CO 0.01 0.33 -0.11 0.71 0.02 0.00 0.00 176.95 177.90 1swh s TYR 22 N -1.81 0.95 0.60 -1.98 2.02 -0.18 0.34 117.35 117.30 1swh s TYR 22 Ca 0.14 -0.19 0.08 0.00 -0.37 0.00 0.00 57.07 56.73 1swh s TYR 22 Cb -0.07 -0.61 0.09 0.00 -0.40 0.00 0.00 41.96 40.97 1swh s TYR 22 CO 0.06 -0.02 0.82 0.54 -1.57 0.00 0.00 175.55 175.39 1swh s ASN 23 N -0.29 4.97 0.58 2.29 4.22 -0.71 -0.86 114.94 125.15 1swh s ASN 23 Ca 0.04 -0.75 0.29 0.00 -2.14 0.00 0.00 52.86 50.30 1swh s ASN 23 Cb -0.04 0.22 1.42 0.00 1.28 0.00 0.00 41.25 44.13 1swh s ASN 23 CO -0.00 -1.42 1.82 0.06 -2.04 0.00 0.00 177.10 175.51 1swh h GLN 24 N 0.06 0.00 -0.38 3.55 -0.00 -1.90 -1.62 115.11 114.82 1swh h GLN 24 Ca -0.31 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.34 1swh h GLN 24 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.76 1swh h GLN 24 CO 0.41 0.00 0.00 1.28 -0.00 0.00 0.00 178.83 180.52 1swh n LEU 25 N -3.74 3.25 0.00 0.06 4.77 -1.26 -4.95 117.00 115.13 1swh n LEU 25 Ca 0.12 -1.59 0.00 0.00 -0.03 0.00 0.00 56.01 54.51 1swh n LEU 25 Cb 0.84 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 1swh n LEU 25 CO 0.29 0.73 0.00 0.61 -1.33 0.00 0.00 177.39 177.69 1swh n GLY 26 N 1.24 0.74 3.79 -0.72 0.00 -0.61 -5.06 105.19 104.57 1swh n GLY 26 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.56 6.17 -0.08 1.61 0.01 -1.26 -4.79 113.70 112.80 1swh s SER 27 Ca 0.00 2.04 0.03 0.00 1.31 0.00 0.00 55.95 59.33 1swh s SER 27 Cb 0.00 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.64 1swh s SER 27 CO 0.00 -0.90 -0.17 -0.89 0.41 0.00 0.00 173.24 171.69 1swh s THR 28 N -1.86 2.81 -0.25 1.44 2.01 0.51 -1.74 115.64 118.56 1swh s THR 28 Ca 0.68 -0.79 -0.00 0.00 0.31 0.00 0.00 61.69 61.89 1swh s THR 28 Cb -0.20 -2.11 0.07 0.00 0.01 0.00 0.00 72.50 70.27 1swh s THR 28 CO 0.24 0.56 0.02 0.12 -0.69 0.00 0.00 174.62 174.87 1swh s PHE 29 N -0.24 1.95 -0.32 4.92 5.36 0.15 -0.55 117.98 129.26 1swh s PHE 29 Ca 0.01 -1.60 -0.10 0.00 -0.96 0.00 0.00 56.93 54.28 1swh s PHE 29 Cb -0.13 -1.56 -0.01 0.00 -0.34 0.00 0.00 43.02 40.98 1swh s PHE 29 CO 0.03 -0.77 0.16 0.42 -1.46 0.00 0.00 175.22 173.60 1swh s ILE 30 N 1.54 4.64 0.02 3.12 1.01 -0.16 0.36 121.20 131.73 1swh s ILE 30 Ca 0.01 -0.44 0.03 0.00 0.00 0.00 0.00 60.65 60.25 1swh s ILE 30 Cb -0.18 -3.38 -0.01 0.00 0.01 0.00 0.00 42.46 38.90 1swh s ILE 30 CO -0.11 0.04 -0.09 0.54 0.00 0.00 0.00 174.94 175.32 1swh s VAL 31 N 1.62 0.66 -0.15 2.92 0.11 -0.51 0.02 120.40 125.07 1swh s VAL 31 Ca 0.04 -0.70 0.00 0.00 -2.93 0.00 0.00 61.98 58.40 1swh s VAL 31 Cb -0.17 -0.62 -0.00 0.00 -1.53 0.00 0.00 36.38 34.05 1swh s VAL 31 CO 0.06 -0.05 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.74 1swh s THR 32 N -0.70 2.71 -0.36 5.04 2.01 0.25 -1.96 115.64 122.63 1swh s THR 32 Ca -0.02 -0.76 -0.22 0.00 0.31 0.00 0.00 61.69 61.01 1swh s THR 32 Cb -0.06 -2.14 0.01 0.00 0.01 0.00 0.00 72.50 70.32 1swh s THR 32 CO 0.00 0.52 0.70 0.00 -0.69 0.00 0.00 174.62 175.15 1swh s ALA 33 N 0.70 3.44 0.62 7.40 0.00 -1.26 -1.74 121.76 130.91 1swh s ALA 33 Ca -0.07 -0.78 -0.06 0.00 0.00 0.00 0.00 51.96 51.05 1swh s ALA 33 Cb -0.16 -3.27 0.02 0.00 0.00 0.00 0.00 23.12 19.72 1swh s ALA 33 CO 0.02 -1.43 0.92 0.20 0.00 0.00 0.00 175.76 175.46 1swh s GLY 34 N 1.83 1.64 0.16 0.00 0.00 0.90 -4.91 107.32 106.93 1swh s GLY 34 Ca 0.27 -0.80 0.23 0.00 0.00 0.00 0.00 44.72 44.43 1swh s GLY 34 CO 0.16 -0.48 1.72 0.00 0.00 0.00 0.00 173.10 174.49 1swh n ALA 35 N -2.65 1.93 -0.02 3.20 0.00 -1.26 -2.70 120.51 119.01 1swh n ALA 35 Ca 0.06 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.61 1swh n ALA 35 Cb 0.58 -1.39 0.29 0.00 0.00 0.00 0.00 19.45 18.93 1swh n ALA 35 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1swh n ASP 36 N -2.00 3.52 0.00 0.00 5.75 -1.26 -4.94 116.55 117.62 1swh n ASP 36 Ca 0.04 -1.99 0.00 0.00 -0.01 0.00 0.00 54.79 52.83 1swh n ASP 36 Cb 0.29 -0.41 0.00 0.00 -1.03 0.00 0.00 41.12 39.98 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 1.55 0.76 3.82 6.12 0.00 -1.10 -4.97 105.19 111.38 1swh n GLY 37 Ca 0.22 -0.13 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.00 3.45 -0.09 4.61 0.00 -1.26 -1.06 121.76 125.41 1swh s ALA 38 Ca 0.00 0.10 0.04 0.00 0.00 0.00 0.00 51.96 52.10 1swh s ALA 38 Cb 0.00 -2.76 -0.01 0.00 0.00 0.00 0.00 23.12 20.35 1swh s ALA 38 CO 0.00 0.35 -0.22 -0.51 0.00 0.00 0.00 175.76 175.38 1swh s LEU 39 N -1.97 2.23 0.03 0.00 1.02 0.60 -0.07 118.68 120.52 1swh s LEU 39 Ca 0.42 -0.49 -0.01 0.00 0.02 0.00 0.00 54.13 54.07 1swh s LEU 39 Cb -0.16 -1.44 -0.03 0.00 0.02 0.00 0.00 46.19 44.58 1swh s LEU 39 CO 0.21 0.19 -0.02 0.42 0.02 0.00 0.00 176.35 177.17 1swh s THR 40 N 0.15 0.15 -4.88 5.49 -4.23 -0.71 -1.52 115.64 110.08 1swh s THR 40 Ca -0.12 -1.23 0.00 0.00 -1.18 0.00 0.00 61.69 59.17 1swh s THR 40 Cb -0.16 -0.74 0.00 0.00 1.34 0.00 0.00 72.50 72.94 1swh s THR 40 CO 0.07 -0.68 0.00 0.61 -0.54 0.00 0.00 174.62 174.08 1swh n GLY 41 N 1.02 -0.50 3.10 3.99 0.00 -0.98 0.87 105.19 112.69 1swh n GLY 41 Ca -0.20 -0.90 -0.12 0.00 0.00 0.00 0.00 46.02 44.80 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 -3.60 0.04 -0.07 2.61 2.01 0.10 -1.43 115.64 115.30 1swh s THR 42 Ca 0.00 -0.33 0.05 0.00 0.31 0.00 0.00 61.69 61.72 1swh s THR 42 Cb 0.00 -0.36 -0.00 0.00 0.01 0.00 0.00 72.50 72.15 1swh s THR 42 CO 0.00 -0.18 -0.22 -0.47 -0.69 0.00 0.00 174.62 173.06 1swh s TYR 43 N -0.63 2.25 -0.15 4.92 5.04 0.67 -0.99 117.35 128.48 1swh s TYR 43 Ca -0.07 -0.78 0.02 0.00 -2.44 0.00 0.00 57.07 53.80 1swh s TYR 43 Cb -0.04 -1.51 0.02 0.00 0.35 0.00 0.00 41.96 40.78 1swh s TYR 43 CO 0.01 -0.28 -0.19 -2.00 -1.34 0.00 0.00 175.55 171.75 1swh s GLU 44 N 0.12 2.74 -0.17 4.97 2.12 0.29 -0.65 118.70 128.12 1swh s GLU 44 Ca -0.10 -0.74 0.05 0.00 0.36 0.00 0.00 54.97 54.54 1swh s GLU 44 Cb -0.15 -2.31 -0.22 0.00 0.26 0.00 0.00 34.13 31.71 1swh s GLU 44 CO 0.05 -0.11 0.17 0.45 -0.54 0.00 0.00 175.26 175.29 1swh n SER 45 N 4.35 1.40 -1.64 -1.70 2.88 -1.26 -0.36 113.62 117.29 1swh n SER 45 Ca -0.20 0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.44 1swh n SER 45 Cb 0.51 -0.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 1swh n SER 45 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1swh n SER 52 N -3.18 0.00 -4.87 -3.46 2.88 -1.26 -4.96 113.62 98.78 1swh n SER 52 Ca -0.34 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 56.90 1swh n SER 52 Cb 1.05 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.48 1swh n SER 52 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1swh s ARG 53 N 0.00 3.81 0.04 -1.46 0.52 -1.26 -4.99 118.95 115.60 1swh s ARG 53 Ca 0.00 0.46 0.07 0.00 -0.52 0.00 0.00 55.73 55.73 1swh s ARG 53 Cb 0.00 -2.43 -0.02 0.00 0.52 0.00 0.00 34.95 33.01 1swh s ARG 53 CO 0.00 0.04 -0.19 0.71 0.02 0.00 0.00 175.30 175.87 1swh s TYR 54 N -2.25 1.70 0.26 -0.53 2.02 0.17 -4.87 117.35 113.85 1swh s TYR 54 Ca 0.51 -0.37 -0.29 0.00 -0.37 0.00 0.00 57.07 56.55 1swh s TYR 54 Cb -0.10 -1.02 -0.09 0.00 -0.40 0.00 0.00 41.96 40.35 1swh s TYR 54 CO 0.28 0.07 1.23 0.08 -1.57 0.00 0.00 175.55 175.64 1swh s VAL 55 N -0.78 3.19 0.02 0.71 1.01 -1.26 -0.24 120.40 123.05 1swh s VAL 55 Ca 0.06 1.11 0.06 0.00 0.00 0.00 0.00 61.98 63.22 1swh s VAL 55 Cb -0.08 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 1swh s VAL 55 CO 0.01 0.23 -0.18 -1.48 0.00 0.00 0.00 175.10 173.69 1swh s LEU 56 N -1.08 2.11 0.02 3.92 0.05 -0.52 -4.32 118.68 118.87 1swh s LEU 56 Ca 0.50 -0.42 -0.03 0.00 0.05 0.00 0.00 54.13 54.22 1swh s LEU 56 Cb -0.36 -0.86 -0.01 0.00 -2.05 0.00 0.00 46.19 42.91 1swh s LEU 56 CO 0.44 0.16 0.05 0.28 -0.55 0.00 0.00 176.35 176.72 1swh s THR 57 N -0.64 0.12 0.01 5.48 -1.32 -0.94 -2.32 115.64 116.02 1swh s THR 57 Ca 0.06 -0.96 -0.04 0.00 -1.21 0.00 0.00 61.69 59.54 1swh s THR 57 Cb -0.08 -0.55 0.01 0.00 -1.51 0.00 0.00 72.50 70.38 1swh s THR 57 CO 0.01 -0.53 0.20 0.61 -2.21 0.00 0.00 174.62 172.70 1swh n GLY 58 N 1.25 0.85 3.20 6.08 0.00 -0.58 -1.20 105.19 114.80 1swh n GLY 58 Ca -0.22 -0.91 -0.13 0.00 0.00 0.00 0.00 46.02 44.76 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 0.93 0.10 1.61 1.81 -0.65 -0.29 118.95 120.46 1swh s ARG 59 Ca 0.05 -1.33 -0.07 0.00 -1.72 0.00 0.00 55.73 52.65 1swh s ARG 59 Cb -0.00 -0.46 -0.01 0.00 -0.45 0.00 0.00 34.95 34.03 1swh s ARG 59 CO 0.00 0.04 0.17 1.52 -0.68 0.00 0.00 175.30 176.36 1swh s TYR 60 N -3.19 0.33 -0.53 -0.53 1.13 -0.22 -1.29 117.35 113.04 1swh s TYR 60 Ca 0.12 -0.76 -0.28 0.00 -1.41 0.00 0.00 57.07 54.75 1swh s TYR 60 Cb 0.02 -0.15 0.01 0.00 -1.10 0.00 0.00 41.96 40.75 1swh s TYR 60 CO -0.01 -0.56 1.45 0.34 -2.51 0.00 0.00 175.55 174.25 1swh s ASP 61 N -2.91 6.11 0.00 -0.18 2.15 -0.39 -4.55 116.67 116.90 1swh s ASP 61 Ca 0.10 0.40 0.31 0.00 0.43 0.00 0.00 52.55 53.79 1swh s ASP 61 Cb 0.05 -2.54 1.70 0.00 -0.30 0.00 0.00 42.92 41.83 1swh s ASP 61 CO -0.07 -1.70 2.13 -1.54 -0.17 0.00 0.00 175.17 173.82 1swh n SER 62 N 9.63 0.11 -3.03 -0.34 3.41 -1.26 -4.16 113.62 117.99 1swh n SER 62 Ca 0.14 -0.74 -0.18 0.00 -0.26 0.00 0.00 58.87 57.82 1swh n SER 62 Cb 0.49 -0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 64.33 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 -1.02 0.98 -1.53 7.33 0.00 -1.26 -5.04 120.51 119.97 1swh n ALA 63 Ca 0.20 -2.64 -0.29 0.00 0.00 0.00 0.00 53.44 50.71 1swh n ALA 63 Cb 0.17 -1.01 0.16 0.00 0.00 0.00 0.00 19.45 18.77 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 -0.45 0.70 0.40 0.00 0.04 -1.26 -5.01 135.00 129.42 1swh s PRO 64 Ca 0.34 0.12 -0.27 0.00 0.04 0.00 0.00 61.00 61.23 1swh s PRO 64 Cb 0.19 -1.80 -0.10 0.00 0.04 0.00 0.00 34.50 32.82 1swh s PRO 64 CO -0.16 -2.47 1.45 0.00 0.04 0.00 0.00 177.00 175.86 1swh n ALA 65 N -3.92 2.17 -0.14 8.56 0.00 -1.26 -4.98 120.51 120.94 1swh n ALA 65 Ca 0.09 0.31 -0.10 0.00 0.00 0.00 0.00 53.44 53.74 1swh n ALA 65 Cb 0.59 -2.40 -0.01 0.00 0.00 0.00 0.00 19.45 17.63 1swh n ALA 65 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1swh h THR 66 N 2.66 1.23 0.00 0.00 2.02 -1.95 -3.38 112.91 113.49 1swh h THR 66 Ca -0.50 -0.77 0.00 0.00 0.77 0.00 0.00 66.41 65.91 1swh h THR 66 Cb 1.26 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 68.64 1swh h THR 66 CO 0.63 0.27 0.00 -0.90 0.37 0.00 0.00 175.52 175.88 1swh n ASP 67 N -4.57 0.00 0.00 4.18 5.68 -1.26 -4.61 116.55 115.96 1swh n ASP 67 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1swh n ASP 67 Cb 0.20 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.18 1swh n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1swh n GLY 68 N -0.35 0.78 3.75 6.12 0.00 -1.26 -5.04 105.19 109.19 1swh n GLY 68 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.70 5.16 1.02 1.61 0.01 -1.26 -5.03 113.70 112.50 1swh s SER 69 Ca 0.00 2.42 -0.15 0.00 1.31 0.00 0.00 55.95 59.52 1swh s SER 69 Cb 0.00 -2.60 0.20 0.00 0.21 0.00 0.00 66.02 63.83 1swh s SER 69 CO 0.00 -1.62 1.18 -0.83 0.41 0.00 0.00 173.24 172.38 1swh s GLY 70 N -1.56 1.64 -0.36 3.44 0.00 -1.26 -4.80 107.32 104.41 1swh s GLY 70 Ca 0.78 -0.85 -0.13 0.00 0.00 0.00 0.00 44.72 44.52 1swh s GLY 70 CO 0.34 -0.13 0.25 -1.59 0.00 0.00 0.00 173.10 171.97 1swh s THR 71 N -3.36 5.10 0.30 0.90 2.01 -0.13 -4.79 115.64 115.66 1swh s THR 71 Ca 0.69 -0.48 -0.29 0.00 0.31 0.00 0.00 61.69 61.92 1swh s THR 71 Cb -0.10 -3.72 -0.10 0.00 0.01 0.00 0.00 72.50 68.58 1swh s THR 71 CO 0.54 -0.13 1.44 0.00 -0.69 0.00 0.00 174.62 175.78 1swh s ALA 72 N 1.67 3.61 0.23 7.40 0.00 -1.26 -1.38 121.76 132.03 1swh s ALA 72 Ca 0.05 1.40 -0.19 0.00 0.00 0.00 0.00 51.96 53.21 1swh s ALA 72 Cb -0.18 -3.56 0.03 0.00 0.00 0.00 0.00 23.12 19.40 1swh s ALA 72 CO 0.09 -0.82 0.61 -0.48 0.00 0.00 0.00 175.76 175.17 1swh s LEU 73 N -1.04 -0.15 0.10 0.00 2.34 -0.50 -1.26 118.68 118.17 1swh s LEU 73 Ca 0.56 -0.49 -0.25 0.00 0.06 0.00 0.00 54.13 54.01 1swh s LEU 73 Cb -0.43 2.43 0.07 0.00 -0.56 0.00 0.00 46.19 47.70 1swh s LEU 73 CO 0.50 -1.17 0.65 -0.83 -1.06 0.00 0.00 176.35 174.44 1swh s GLY 74 N -2.88 -0.59 0.24 -3.48 0.00 -0.41 -1.49 107.32 98.71 1swh s GLY 74 Ca 0.10 0.71 -0.18 0.00 0.00 0.00 0.00 44.72 45.35 1swh s GLY 74 CO 0.01 0.33 0.60 0.66 0.00 0.00 0.00 173.10 174.70 1swh s TRP 75 N -3.21 -0.06 0.02 1.90 -2.14 -0.52 -1.63 118.94 113.30 1swh s TRP 75 Ca -0.01 -0.33 0.03 0.00 2.66 0.00 0.00 56.10 58.45 1swh s TRP 75 Cb -0.01 0.50 -0.01 0.00 -3.10 0.00 0.00 33.47 30.84 1swh s TRP 75 CO -0.09 -1.08 -0.10 0.99 -2.66 0.00 0.00 176.95 174.02 1swh s THR 76 N -3.92 0.76 -0.08 0.66 2.01 -0.34 -0.82 115.64 113.91 1swh s THR 76 Ca 0.13 -0.69 0.01 0.00 0.31 0.00 0.00 61.69 61.44 1swh s THR 76 Cb -0.03 -0.69 0.02 0.00 0.01 0.00 0.00 72.50 71.81 1swh s THR 76 CO 0.04 0.01 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.21 1swh s VAL 77 N -0.63 0.90 -0.13 3.82 1.01 -0.50 -2.22 120.40 122.65 1swh s VAL 77 Ca -0.00 -0.28 -0.15 0.00 0.00 0.00 0.00 61.98 61.56 1swh s VAL 77 Cb -0.06 -0.89 -0.05 0.00 0.00 0.00 0.00 36.38 35.38 1swh s VAL 77 CO 0.00 0.32 0.34 0.00 0.00 0.00 0.00 175.10 175.77 1swh s ALA 78 N 1.22 3.59 -1.50 5.51 0.00 -1.26 -1.02 121.76 128.30 1swh s ALA 78 Ca -0.05 -0.37 -0.09 0.00 0.00 0.00 0.00 51.96 51.45 1swh s ALA 78 Cb -0.14 -2.43 0.00 0.00 0.00 0.00 0.00 23.12 20.55 1swh s ALA 78 CO -0.02 0.14 2.63 1.19 0.00 0.00 0.00 175.76 179.70 1swh n PHE 79 N 3.31 2.66 -4.06 0.00 3.72 0.19 -4.75 117.46 118.54 1swh n PHE 79 Ca -0.11 -2.98 -0.21 0.00 -0.05 0.00 0.00 57.45 54.09 1swh n PHE 79 Cb 0.52 -2.29 -0.17 0.00 -0.94 0.00 0.00 39.48 36.61 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 1.27 0.82 0.00 -1.08 2.20 -1.26 -0.42 119.74 121.27 1swh s LYS 80 Ca 0.60 -0.06 0.00 0.00 -0.36 0.00 0.00 55.97 56.15 1swh s LYS 80 Cb 0.17 -0.92 0.00 0.00 -1.51 0.00 0.00 37.83 35.57 1swh s LYS 80 CO -0.07 -0.14 0.00 0.27 -0.36 0.00 0.00 175.35 175.05 1swh n ASN 81 N 4.36 0.00 0.04 1.43 0.23 -0.35 -4.80 115.26 116.16 1swh n ASN 81 Ca -0.20 -0.22 0.10 0.00 -0.53 0.00 0.00 54.58 53.73 1swh n ASN 81 Cb 0.51 0.00 0.43 0.00 -2.08 0.00 0.00 39.78 38.63 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 -0.53 0.22 -0.13 0.53 5.03 -1.26 -3.81 115.26 115.30 1swh n ASN 82 Ca 0.00 0.54 -0.26 0.00 0.87 0.00 0.00 54.58 55.73 1swh n ASN 82 Cb 0.00 -0.59 -0.11 0.00 -1.02 0.00 0.00 39.78 38.06 1swh n ASN 82 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1swh n TYR 83 N -1.73 0.05 -4.10 3.10 4.02 -1.26 -5.06 117.16 112.19 1swh n TYR 83 Ca 0.04 0.02 -0.10 0.00 -0.01 0.00 0.00 57.90 57.85 1swh n TYR 83 Cb 0.24 -1.01 -0.09 0.00 -0.02 0.00 0.00 39.34 38.47 1swh n TYR 83 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1swh s ARG 84 N -2.51 1.03 -0.18 -0.72 0.52 -1.25 -5.15 118.95 110.69 1swh s ARG 84 Ca -0.37 -1.38 -0.05 0.00 -0.52 0.00 0.00 55.73 53.41 1swh s ARG 84 Cb 0.13 0.29 0.07 0.00 0.52 0.00 0.00 34.95 35.95 1swh s ARG 84 CO 0.53 -0.33 0.13 1.21 0.02 0.00 0.00 175.30 176.87 1swh s ASN 85 N -3.04 2.06 0.00 0.23 3.84 -1.26 -1.22 114.94 115.56 1swh s ASN 85 Ca 0.24 -0.50 0.26 0.00 0.21 0.00 0.00 52.86 53.07 1swh s ASN 85 Cb 0.06 -0.06 1.07 0.00 -0.55 0.00 0.00 41.25 41.77 1swh s ASN 85 CO 0.02 -0.34 1.75 0.00 -2.79 0.00 0.00 177.10 175.74 1swh n ALA 86 N 5.29 2.57 -3.75 1.71 0.00 0.44 -4.93 120.51 121.84 1swh n ALA 86 Ca -0.07 -0.43 -0.22 0.00 0.00 0.00 0.00 53.44 52.72 1swh n ALA 86 Cb 0.49 -1.19 0.02 0.00 0.00 0.00 0.00 19.45 18.78 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 0.06 -1.87 -3.75 0.00 8.25 -1.26 -4.84 115.22 111.81 1swh n HIS 87 Ca 0.19 0.82 -0.13 0.00 -0.26 0.00 0.00 57.72 58.34 1swh n HIS 87 Cb 0.31 -4.26 -0.08 0.00 1.12 0.00 0.00 29.99 27.08 1swh n HIS 87 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1swh s SER 88 N -4.34 -0.17 0.01 0.41 0.01 -1.26 -1.61 113.70 106.75 1swh s SER 88 Ca 0.02 -0.02 0.03 0.00 1.31 0.00 0.00 55.95 57.28 1swh s SER 88 Cb -0.01 0.34 -0.01 0.00 0.21 0.00 0.00 66.02 66.55 1swh s SER 88 CO 0.83 -0.52 -0.08 0.00 0.41 0.00 0.00 173.24 173.87 1swh s ALA 89 N -1.86 0.69 -0.03 1.44 0.00 -0.26 0.57 121.76 122.31 1swh s ALA 89 Ca -0.10 -0.49 0.07 0.00 0.00 0.00 0.00 51.96 51.45 1swh s ALA 89 Cb -0.03 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 22.95 1swh s ALA 89 CO 0.01 0.13 -0.25 0.99 0.00 0.00 0.00 175.76 176.63 1swh s THR 90 N -0.53 2.08 -0.08 0.00 2.01 -0.19 -0.43 115.64 118.51 1swh s THR 90 Ca 0.00 -1.09 0.05 0.00 0.31 0.00 0.00 61.69 60.96 1swh s THR 90 Cb -0.05 -1.73 -0.01 0.00 0.01 0.00 0.00 72.50 70.73 1swh s THR 90 CO 0.00 0.58 -0.24 0.42 -0.69 0.00 0.00 174.62 174.69 1swh s THR 91 N -0.46 2.10 -0.17 -0.82 -4.23 -0.11 -1.41 115.64 110.54 1swh s THR 91 Ca 0.05 -1.03 -0.05 0.00 -1.18 0.00 0.00 61.69 59.48 1swh s THR 91 Cb -0.11 -1.78 -0.03 0.00 1.34 0.00 0.00 72.50 71.92 1swh s THR 91 CO 0.01 0.56 0.00 0.26 -0.54 0.00 0.00 174.62 174.92 1swh s TRP 92 N 0.08 3.12 -0.06 3.99 0.51 0.00 -1.57 118.94 125.01 1swh s TRP 92 Ca -0.11 -0.15 0.05 0.00 -2.12 0.00 0.00 56.10 53.77 1swh s TRP 92 Cb -0.16 -2.01 -0.00 0.00 -0.81 0.00 0.00 33.47 30.49 1swh s TRP 92 CO 0.06 0.04 -0.20 0.45 -0.51 0.00 0.00 176.95 176.79 1swh s SER 93 N 0.38 2.57 0.00 2.95 0.15 0.97 -1.43 113.70 119.30 1swh s SER 93 Ca -0.01 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.21 1swh s SER 93 Cb -0.13 -0.80 0.00 0.00 -1.71 0.00 0.00 66.02 63.37 1swh s SER 93 CO 0.02 0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.25 1swh n GLY 94 N 3.16 1.31 3.38 9.45 0.00 -0.55 -0.80 105.19 121.13 1swh n GLY 94 Ca -0.18 -0.35 -0.15 0.00 0.00 0.00 0.00 46.02 45.34 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 1.82 0.78 -0.00 1.61 -2.07 -0.54 -1.40 119.66 119.85 1swh s GLN 95 Ca 0.00 0.19 -0.18 0.00 -1.82 0.00 0.00 55.36 53.55 1swh s GLN 95 Cb 0.00 0.36 -0.06 0.00 -1.09 0.00 0.00 33.01 32.23 1swh s GLN 95 CO 0.00 -0.20 0.51 -0.47 -1.32 0.00 0.00 175.29 173.81 1swh s TYR 96 N -0.88 3.70 -0.19 9.60 6.14 -0.48 -1.71 117.35 133.53 1swh s TYR 96 Ca -0.09 1.10 -0.00 0.00 0.64 0.00 0.00 57.07 58.71 1swh s TYR 96 Cb -0.03 -2.47 0.05 0.00 0.42 0.00 0.00 41.96 39.92 1swh s TYR 96 CO 0.05 0.46 -0.06 0.08 0.64 0.00 0.00 175.55 176.73 1swh s VAL 97 N -0.53 1.30 0.74 3.14 1.01 -0.55 -0.95 120.40 124.56 1swh s VAL 97 Ca 0.27 -0.88 -0.11 0.00 0.00 0.00 0.00 61.98 61.26 1swh s VAL 97 Cb -0.17 -1.51 0.03 0.00 0.00 0.00 0.00 36.38 34.73 1swh s VAL 97 CO 0.15 0.05 1.08 -0.83 0.00 0.00 0.00 175.10 175.55 1swh s GLY 98 N 1.53 1.64 0.00 4.51 0.00 -1.26 -1.97 107.32 111.77 1swh s GLY 98 Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 44.72 44.58 1swh s GLY 98 CO -0.07 0.24 0.00 0.61 0.00 0.00 0.00 173.10 173.88 1swh n GLY 99 N -2.25 -1.24 0.24 0.20 0.00 -1.26 -4.84 105.19 96.03 1swh n GLY 99 Ca 0.07 -1.18 -0.09 0.00 0.00 0.00 0.00 46.02 44.82 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 0.66 -2.95 4.61 0.00 -2.06 -3.32 119.26 116.20 1swh h ALA 100 Ca 0.00 -0.22 -0.76 0.00 0.00 0.00 0.00 54.91 53.93 1swh h ALA 100 Cb 0.00 -0.19 -0.29 0.00 0.00 0.00 0.00 17.79 17.31 1swh h ALA 100 CO 0.00 0.37 -0.07 -2.00 0.00 0.00 0.00 179.25 177.55 1swh s GLU 101 N -5.24 3.23 0.42 0.00 2.12 -1.26 -5.08 118.70 112.89 1swh s GLU 101 Ca -0.13 -2.49 -0.25 0.00 0.36 0.00 0.00 54.97 52.46 1swh s GLU 101 Cb 0.11 -4.18 -0.08 0.00 0.26 0.00 0.00 34.13 30.25 1swh s GLU 101 CO 0.80 -1.25 1.18 0.00 -0.54 0.00 0.00 175.26 175.45 1swh s ALA 102 N 0.07 3.11 0.04 6.30 0.00 -1.25 -4.91 121.76 125.13 1swh s ALA 102 Ca 0.18 0.99 -0.12 0.00 0.00 0.00 0.00 51.96 53.00 1swh s ALA 102 Cb -0.14 -3.39 0.01 0.00 0.00 0.00 0.00 23.12 19.60 1swh s ALA 102 CO -0.07 -0.60 0.27 -0.98 0.00 0.00 0.00 175.76 174.38 1swh s ARG 103 N -2.40 0.77 -0.21 0.00 1.70 -0.83 -4.23 118.95 113.74 1swh s ARG 103 Ca 0.59 -0.54 0.02 0.00 -0.47 0.00 0.00 55.73 55.33 1swh s ARG 103 Cb -0.31 0.33 0.04 0.00 -0.57 0.00 0.00 34.95 34.44 1swh s ARG 103 CO 0.39 -0.24 -0.14 0.42 -1.08 0.00 0.00 175.30 174.64 1swh s ILE 104 N -2.53 2.01 -0.29 4.99 1.01 -0.46 -1.48 121.20 124.45 1swh s ILE 104 Ca -0.05 -1.22 -0.14 0.00 0.00 0.00 0.00 60.65 59.25 1swh s ILE 104 Cb -0.01 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.44 1swh s ILE 104 CO -0.03 0.24 0.30 0.20 0.00 0.00 0.00 174.94 175.65 1swh s ASN 105 N 1.24 6.15 0.08 3.58 0.01 -0.69 0.06 114.94 125.37 1swh s ASN 105 Ca -0.02 0.07 0.04 0.00 -0.71 0.00 0.00 52.86 52.24 1swh s ASN 105 Cb -0.16 -2.17 -0.03 0.00 0.41 0.00 0.00 41.25 39.29 1swh s ASN 105 CO -0.09 -0.17 -0.11 0.42 -1.51 0.00 0.00 177.10 175.65 1swh s THR 106 N 1.94 0.92 0.06 1.60 -4.23 -0.27 -1.47 115.64 114.19 1swh s THR 106 Ca 0.11 -1.45 0.05 0.00 -1.18 0.00 0.00 61.69 59.23 1swh s THR 106 Cb -0.16 -1.15 -0.04 0.00 1.34 0.00 0.00 72.50 72.50 1swh s THR 106 CO 0.11 -0.43 -0.08 -1.10 -0.54 0.00 0.00 174.62 172.58 1swh s GLN 107 N -2.28 2.34 0.09 3.99 -1.52 0.02 -1.10 119.66 121.21 1swh s GLN 107 Ca 0.01 -0.88 0.03 0.00 -1.95 0.00 0.00 55.36 52.56 1swh s GLN 107 Cb -0.06 -2.40 -0.04 0.00 -0.22 0.00 0.00 33.01 30.29 1swh s GLN 107 CO 0.01 0.55 -0.08 1.67 -0.25 0.00 0.00 175.29 177.19 1swh s TRP 108 N -1.13 0.95 -0.08 0.91 1.48 -0.63 -0.02 118.94 120.42 1swh s TRP 108 Ca 0.20 -0.76 0.00 0.00 -1.06 0.00 0.00 56.10 54.48 1swh s TRP 108 Cb -0.11 -0.53 0.02 0.00 -1.16 0.00 0.00 33.47 31.69 1swh s TRP 108 CO 0.11 -0.07 -0.06 -0.51 -4.06 0.00 0.00 176.95 172.36 1swh s LEU 109 N -2.67 1.23 -0.26 -4.66 1.43 -0.61 -2.41 118.68 110.73 1swh s LEU 109 Ca 0.07 -0.22 -0.03 0.00 -1.03 0.00 0.00 54.13 52.93 1swh s LEU 109 Cb 0.00 -0.66 0.02 0.00 0.03 0.00 0.00 46.19 45.59 1swh s LEU 109 CO -0.02 -0.08 -0.03 -0.22 0.23 0.00 0.00 176.35 176.23 1swh s LEU 110 N 1.29 3.36 -0.15 1.79 2.96 -0.06 -0.93 118.68 126.94 1swh s LEU 110 Ca -0.04 -0.87 -0.02 0.00 -0.22 0.00 0.00 54.13 52.98 1swh s LEU 110 Cb -0.14 -1.71 -0.02 0.00 0.50 0.00 0.00 46.19 44.83 1swh s LEU 110 CO -0.03 -0.15 -0.08 -0.89 -1.32 0.00 0.00 176.35 173.88 1swh s THR 111 N 1.35 3.38 0.03 3.68 2.01 0.43 -0.93 115.64 125.59 1swh s THR 111 Ca 0.00 -0.53 0.01 0.00 0.31 0.00 0.00 61.69 61.48 1swh s THR 111 Cb -0.17 -2.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.84 1swh s THR 111 CO -0.03 0.50 0.07 -0.44 -0.69 0.00 0.00 174.62 174.02 1swh s SER 112 N 0.55 5.53 0.02 3.53 0.01 -0.65 -1.11 113.70 121.58 1swh s SER 112 Ca -0.06 0.06 -0.30 0.00 1.31 0.00 0.00 55.95 56.96 1swh s SER 112 Cb -0.15 -1.52 -0.07 0.00 0.21 0.00 0.00 66.02 64.49 1swh s SER 112 CO 0.03 0.23 1.58 -0.83 0.41 0.00 0.00 173.24 174.67 1swh s GLY 113 N -1.96 1.64 0.19 3.44 0.00 -0.63 -4.83 107.32 105.17 1swh s GLY 113 Ca 0.25 1.04 0.06 0.00 0.00 0.00 0.00 44.72 46.07 1swh s GLY 113 CO 0.16 2.82 -0.12 -0.51 0.00 0.00 0.00 173.10 175.45 1swh s THR 114 N 2.92 1.50 1.13 0.90 -4.23 -1.26 -5.04 115.64 111.56 1swh s THR 114 Ca 0.71 -2.15 -0.17 0.00 -1.18 0.00 0.00 61.69 58.90 1swh s THR 114 Cb -0.36 -2.02 0.25 0.00 1.34 0.00 0.00 72.50 71.71 1swh s THR 114 CO 0.30 -0.61 1.11 0.42 -0.54 0.00 0.00 174.62 175.30 1swh s THR 115 N -3.12 1.75 0.11 3.99 -4.23 -1.26 -4.83 115.64 108.04 1swh s THR 115 Ca 0.21 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.56 1swh s THR 115 Cb 0.01 -2.52 -0.05 0.00 1.34 0.00 0.00 72.50 71.28 1swh s THR 115 CO 0.05 0.00 1.56 -0.33 -0.54 0.00 0.00 174.62 175.37 1swh h GLU 116 N -2.32 0.56 0.00 3.99 5.08 -2.02 -2.52 114.58 117.35 1swh h GLU 116 Ca -0.48 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 57.71 1swh h GLU 116 Cb 1.30 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1swh h GLU 116 CO 0.42 0.67 0.00 0.00 -1.00 0.00 0.00 179.01 179.10 1swh h ALA 117 N 0.87 1.00 -0.01 3.43 0.00 -2.07 -2.59 119.26 119.89 1swh h ALA 117 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1swh h ALA 117 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1swh h ALA 117 CO 0.01 0.00 -0.00 0.09 0.00 0.00 0.00 179.25 179.35 1swh n ASN 118 N -2.53 1.96 0.17 0.00 4.13 -1.06 -4.63 115.26 113.30 1swh n ASN 118 Ca 0.00 -1.48 0.14 0.00 1.68 0.00 0.00 54.58 54.92 1swh n ASN 118 Cb 0.18 0.01 0.71 0.00 -1.54 0.00 0.00 39.78 39.13 1swh n ASN 118 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1swh h ALA 119 N 2.29 2.09 0.00 5.41 0.00 -1.04 -1.81 119.26 126.20 1swh h ALA 119 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1swh h ALA 119 Cb 0.49 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1swh h ALA 119 CO 0.00 -0.26 -0.02 0.11 0.00 0.00 0.00 179.25 179.08 1swh h TRP 120 N 0.00 0.00 -0.46 0.00 5.08 -1.82 -0.90 115.95 117.85 1swh h TRP 120 Ca 0.09 0.00 -0.27 0.00 1.08 0.00 0.00 58.89 59.79 1swh h TRP 120 Cb 0.40 0.00 -0.17 0.00 -3.00 0.00 0.00 29.16 26.40 1swh h TRP 120 CO 0.00 0.02 -0.09 0.36 -1.28 0.00 0.00 178.44 177.46 1swh n LYS 121 N -3.38 2.11 0.14 0.12 2.85 -0.68 -4.67 118.16 114.64 1swh n LYS 121 Ca -0.02 -3.32 0.10 0.00 -1.05 0.00 0.00 58.31 54.02 1swh n LYS 121 Cb 0.13 -1.92 0.05 0.00 -0.65 0.00 0.00 35.03 32.65 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 1.21 0.00 -3.14 -5.58 4.64 -1.24 -3.46 113.55 105.98 1swh h SER 122 Ca 0.28 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 61.01 1swh h SER 122 Cb 1.62 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 63.35 1swh h SER 122 CO 0.54 0.06 -0.83 -0.89 -0.87 0.00 0.00 176.83 174.84 1swh s THR 123 N -3.27 1.49 0.18 2.95 2.01 -1.26 -1.63 115.64 116.11 1swh s THR 123 Ca 0.02 -0.59 -0.10 0.00 0.31 0.00 0.00 61.69 61.33 1swh s THR 123 Cb 0.08 -1.41 -0.07 0.00 0.01 0.00 0.00 72.50 71.11 1swh s THR 123 CO 0.75 0.45 0.51 -0.76 -0.69 0.00 0.00 174.62 174.87 1swh s LEU 124 N 1.46 4.25 0.08 4.42 1.43 -0.11 -4.93 118.68 125.28 1swh s LEU 124 Ca 0.04 0.90 0.06 0.00 -1.03 0.00 0.00 54.13 54.10 1swh s LEU 124 Cb -0.13 -3.43 -0.03 0.00 0.03 0.00 0.00 46.19 42.63 1swh s LEU 124 CO -0.09 0.02 -0.16 0.54 0.23 0.00 0.00 176.35 176.89 1swh s VAL 125 N -1.64 1.26 0.15 -1.59 0.11 -1.26 -0.88 120.40 116.54 1swh s VAL 125 Ca 0.42 -1.34 -0.12 0.00 -2.93 0.00 0.00 61.98 58.01 1swh s VAL 125 Cb -0.13 -1.18 0.04 0.00 -1.53 0.00 0.00 36.38 33.58 1swh s VAL 125 CO 0.21 -0.17 0.59 0.61 -3.33 0.00 0.00 175.10 173.00 1swh n GLY 126 N 1.27 1.02 2.80 6.54 0.00 -1.01 -5.02 105.19 110.79 1swh n GLY 126 Ca -0.21 -1.09 -0.14 0.00 0.00 0.00 0.00 46.02 44.58 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 -3.98 0.05 -0.01 1.61 -3.43 -1.26 -1.61 115.29 106.66 1swh s HIS 127 Ca 0.13 0.08 0.07 0.00 -0.80 0.00 0.00 55.06 54.54 1swh s HIS 127 Cb -0.02 -0.19 -0.02 0.00 -1.43 0.00 0.00 32.58 30.92 1swh s HIS 127 CO 0.05 -0.07 -0.22 -0.51 -2.00 0.00 0.00 174.74 171.98 1swh s ASP 128 N 0.76 3.38 -0.17 7.38 1.01 -0.26 -4.98 116.67 123.79 1swh s ASP 128 Ca -0.06 -0.42 -0.01 0.00 0.71 0.00 0.00 52.55 52.77 1swh s ASP 128 Cb -0.09 -0.48 -0.00 0.00 1.01 0.00 0.00 42.92 43.35 1swh s ASP 128 CO -0.02 0.31 -0.12 -0.89 0.21 0.00 0.00 175.17 174.66 1swh s THR 129 N -0.71 2.87 0.07 -1.27 2.01 -1.26 -1.11 115.64 116.24 1swh s THR 129 Ca 0.11 -0.69 0.03 0.00 0.31 0.00 0.00 61.69 61.46 1swh s THR 129 Cb -0.10 -2.24 -0.04 0.00 0.01 0.00 0.00 72.50 70.13 1swh s THR 129 CO 0.01 0.49 0.04 -0.36 -0.69 0.00 0.00 174.62 174.11 1swh s PHE 130 N 0.97 3.11 0.04 4.92 0.40 0.11 -3.16 117.98 124.37 1swh s PHE 130 Ca -0.02 0.05 -0.12 0.00 -0.60 0.00 0.00 56.93 56.24 1swh s PHE 130 Cb -0.15 -1.60 0.01 0.00 0.51 0.00 0.00 43.02 41.79 1swh s PHE 130 CO -0.02 0.50 0.25 -0.08 0.70 0.00 0.00 175.22 176.57 1swh s THR 131 N -1.31 0.09 -1.63 0.64 -1.32 -0.04 -1.36 115.64 110.72 1swh s THR 131 Ca 0.26 -0.77 0.29 0.00 -1.21 0.00 0.00 61.69 60.26 1swh s THR 131 Cb -0.12 -0.90 0.45 0.00 -1.51 0.00 0.00 72.50 70.42 1swh s THR 131 CO 0.19 -0.43 1.86 0.29 -2.21 0.00 0.00 174.62 174.33 1swh n LYS 132 N 0.67 0.66 -4.50 7.08 5.02 -1.26 -1.01 118.16 124.83 1swh n LYS 132 Ca -0.19 -0.22 -0.34 0.00 -2.02 0.00 0.00 58.31 55.55 1swh n LYS 132 Cb 0.59 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.99 1swh n LYS 132 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1swh s VAL 133 N -2.49 3.78 0.05 -0.18 1.01 -1.26 -4.89 120.40 116.43 1swh s VAL 133 Ca 0.29 -0.42 -0.24 0.00 0.00 0.00 0.00 61.98 61.61 1swh s VAL 133 Cb 0.20 -2.61 -0.06 0.00 0.00 0.00 0.00 36.38 33.91 1swh s VAL 133 CO 0.48 0.53 0.74 -0.75 0.00 0.00 0.00 175.10 176.10 1swh s LYS 134 N -0.07 4.47 0.00 2.72 2.20 -1.26 -4.78 119.74 123.03 1swh s LYS 134 Ca 0.01 1.03 0.10 0.00 -0.36 0.00 0.00 55.97 56.75 1swh s LYS 134 Cb -0.13 -3.35 0.63 0.00 -1.51 0.00 0.00 37.83 33.47 1swh s LYS 134 CO 0.03 0.33 1.07 -2.30 -0.36 0.00 0.00 175.35 174.11