#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 1.29 -2.59 -0.61 2.04 -1.97 -3.46 117.51 112.22 1swq h ILE 17 Ca 0.00 -2.58 -0.57 0.00 1.00 0.00 0.00 64.86 62.71 1swq h ILE 17 Cb 0.00 2.83 0.07 0.00 -0.74 0.00 0.00 36.82 38.98 1swq h ILE 17 CO 0.00 0.78 0.76 0.41 0.00 0.00 0.00 178.15 180.10 1swq n THR 18 N -3.75 0.49 -0.12 -0.27 -1.04 -1.26 -4.79 114.28 103.54 1swq n THR 18 Ca -0.15 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 1swq n THR 18 Cb 1.03 -1.61 0.00 0.00 -1.82 0.00 0.00 70.33 67.93 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 2.83 0.93 3.82 3.41 0.00 0.09 -5.00 105.19 111.27 1swq n GLY 19 Ca 0.14 -1.88 -0.36 0.00 0.00 0.00 0.00 46.02 43.91 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 -2.30 5.45 0.02 2.61 2.01 -1.26 -2.09 115.64 120.08 1swq s THR 20 Ca 0.00 0.23 0.02 0.00 0.31 0.00 0.00 61.69 62.25 1swq s THR 20 Cb 0.00 -3.44 -0.02 0.00 0.01 0.00 0.00 72.50 69.05 1swq s THR 20 CO 0.00 0.54 -0.08 0.26 -0.69 0.00 0.00 174.62 174.66 1swq s TRP 21 N -0.45 0.67 -0.01 4.92 0.52 0.10 -4.61 118.94 120.08 1swq s TRP 21 Ca 0.13 -0.31 0.06 0.00 0.02 0.00 0.00 56.10 55.99 1swq s TRP 21 Cb -0.12 -0.41 -0.02 0.00 -1.15 0.00 0.00 33.47 31.78 1swq s TRP 21 CO 0.02 -0.04 -0.18 0.71 0.02 0.00 0.00 176.95 177.48 1swq s TYR 22 N -0.79 1.61 0.00 -1.98 2.02 -0.55 -0.73 117.35 116.93 1swq s TYR 22 Ca -0.03 -0.31 0.00 0.00 -0.37 0.00 0.00 57.07 56.35 1swq s TYR 22 Cb -0.06 -1.03 0.00 0.00 -0.40 0.00 0.00 41.96 40.47 1swq s TYR 22 CO 0.00 -0.01 0.00 0.27 -1.57 0.00 0.00 175.55 174.24 1swq n ASN 23 N 2.53 0.11 -0.52 2.29 6.94 -1.05 -0.87 115.26 124.68 1swq n ASN 23 Ca -0.15 -0.67 0.12 0.00 -0.02 0.00 0.00 54.58 53.86 1swq n ASN 23 Cb 0.54 0.00 0.15 0.00 -2.36 0.00 0.00 39.78 38.11 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 -0.63 1.36 -0.91 -3.83 0.00 -1.26 -4.14 117.38 107.97 1swq n GLN 24 Ca 0.00 -1.04 -0.09 0.00 0.00 0.00 0.00 57.00 55.87 1swq n GLN 24 Cb 0.00 -1.48 0.20 0.00 0.00 0.00 0.00 30.24 28.96 1swq n GLN 24 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1swq n LEU 25 N 0.09 4.68 -1.37 2.61 4.77 -1.26 -4.94 117.00 121.58 1swq n LEU 25 Ca 0.12 -3.77 -0.08 0.00 -0.03 0.00 0.00 56.01 52.25 1swq n LEU 25 Cb 0.45 -0.68 0.02 0.00 -2.33 0.00 0.00 43.42 40.88 1swq n LEU 25 CO 0.24 1.24 0.05 0.61 -1.33 0.00 0.00 177.39 178.20 1swq n GLY 26 N -1.13 0.39 3.56 -0.72 0.00 -1.26 -5.06 105.19 100.97 1swq n GLY 26 Ca 0.39 -0.42 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 1swq n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swq s SER 27 N -3.02 4.21 -0.06 1.61 0.01 -1.26 -4.89 113.70 110.30 1swq s SER 27 Ca 0.15 -0.54 0.03 0.00 1.31 0.00 0.00 55.95 56.90 1swq s SER 27 Cb -0.07 -0.71 0.01 0.00 0.21 0.00 0.00 66.02 65.46 1swq s SER 27 CO 0.19 0.13 -0.12 -0.89 0.41 0.00 0.00 173.24 172.96 1swq s THR 28 N -1.52 1.11 -0.08 1.44 2.01 0.10 -2.54 115.64 116.15 1swq s THR 28 Ca 0.23 -0.48 0.02 0.00 0.31 0.00 0.00 61.69 61.77 1swq s THR 28 Cb -0.09 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.43 1swq s THR 28 CO 0.14 0.34 -0.13 0.72 -0.69 0.00 0.00 174.62 175.00 1swq s PHE 29 N 0.52 1.67 -0.18 4.92 -0.12 0.09 0.75 117.98 125.64 1swq s PHE 29 Ca -0.11 -0.70 -0.04 0.00 -0.05 0.00 0.00 56.93 56.03 1swq s PHE 29 Cb -0.14 -1.23 -0.02 0.00 -0.63 0.00 0.00 43.02 41.00 1swq s PHE 29 CO 0.03 -0.37 -0.04 0.42 -0.05 0.00 0.00 175.22 175.21 1swq s ILE 30 N 0.84 3.69 0.00 -4.49 1.09 0.93 -0.73 121.20 122.54 1swq s ILE 30 Ca -0.11 -0.41 -0.00 0.00 -1.10 0.00 0.00 60.65 59.03 1swq s ILE 30 Cb -0.15 -2.63 -0.00 0.00 -1.06 0.00 0.00 42.46 38.61 1swq s ILE 30 CO 0.01 0.47 0.00 0.54 -0.10 0.00 0.00 174.94 175.87 1swq s VAL 31 N 0.73 0.02 -0.22 2.92 0.11 -0.89 -0.24 120.40 122.83 1swq s VAL 31 Ca -0.02 -0.16 -0.04 0.00 -2.93 0.00 0.00 61.98 58.83 1swq s VAL 31 Cb -0.15 -0.07 -0.01 0.00 -1.53 0.00 0.00 36.38 34.63 1swq s VAL 31 CO 0.02 -0.09 -0.03 -0.89 -3.33 0.00 0.00 175.10 170.78 1swq s THR 32 N -0.25 3.47 -0.52 5.04 2.01 -0.40 -0.73 115.64 124.27 1swq s THR 32 Ca -0.03 -0.46 -0.20 0.00 0.31 0.00 0.00 61.69 61.31 1swq s THR 32 Cb -0.02 -2.59 0.06 0.00 0.01 0.00 0.00 72.50 69.96 1swq s THR 32 CO -0.00 0.41 0.68 0.00 -0.69 0.00 0.00 174.62 175.02 1swq s ALA 33 N 1.49 3.35 0.59 7.40 0.00 -1.26 -2.23 121.76 131.10 1swq s ALA 33 Ca 0.06 -1.68 -0.15 0.00 0.00 0.00 0.00 51.96 50.19 1swq s ALA 33 Cb -0.14 -3.42 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 1swq s ALA 33 CO -0.03 -2.09 1.04 0.20 0.00 0.00 0.00 175.76 174.88 1swq s GLY 34 N 2.76 2.00 0.52 0.00 0.00 0.83 -4.88 107.32 108.56 1swq s GLY 34 Ca 0.17 0.25 0.19 0.00 0.00 0.00 0.00 44.72 45.34 1swq s GLY 34 CO 0.13 0.55 2.13 0.00 0.00 0.00 0.00 173.10 175.91 1swq h ALA 35 N 0.33 1.78 -0.04 3.20 0.00 -1.97 -2.26 119.26 120.31 1swq h ALA 35 Ca -0.46 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1swq h ALA 35 Cb 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1swq h ALA 35 CO 0.59 0.07 0.00 -0.40 0.00 0.00 0.00 179.25 179.50 1swq n ASP 36 N -4.29 0.32 0.00 0.00 5.68 -1.26 -4.85 116.55 112.14 1swq n ASP 36 Ca -0.03 -1.58 0.00 0.00 -0.50 0.00 0.00 54.79 52.68 1swq n ASP 36 Cb 0.14 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.09 1swq n ASP 36 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1swq n GLY 37 N 0.80 0.72 3.79 6.12 0.00 -0.85 -5.01 105.19 110.77 1swq n GLY 37 Ca 0.12 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.49 3.26 -0.16 4.61 0.00 -1.25 -1.46 121.76 124.26 1swq s ALA 38 Ca 0.00 0.43 0.02 0.00 0.00 0.00 0.00 51.96 52.41 1swq s ALA 38 Cb 0.00 -3.09 0.01 0.00 0.00 0.00 0.00 23.12 20.04 1swq s ALA 38 CO 0.00 0.21 -0.20 -0.51 0.00 0.00 0.00 175.76 175.26 1swq s LEU 39 N -2.05 2.15 0.02 0.00 1.02 0.83 -0.12 118.68 120.53 1swq s LEU 39 Ca 0.49 -0.62 -0.02 0.00 0.02 0.00 0.00 54.13 54.00 1swq s LEU 39 Cb -0.18 -1.47 -0.02 0.00 0.02 0.00 0.00 46.19 44.54 1swq s LEU 39 CO 0.23 0.04 0.01 0.42 0.02 0.00 0.00 176.35 177.06 1swq s THR 40 N 1.08 0.12 -2.88 5.49 -4.23 -0.95 -1.01 115.64 113.27 1swq s THR 40 Ca -0.00 -1.01 0.00 0.00 -1.18 0.00 0.00 61.69 59.50 1swq s THR 40 Cb -0.14 -0.50 0.00 0.00 1.34 0.00 0.00 72.50 73.20 1swq s THR 40 CO -0.08 -0.55 0.00 0.61 -0.54 0.00 0.00 174.62 174.06 1swq n GLY 41 N 1.32 -0.57 3.05 3.99 0.00 -0.97 -1.27 105.19 110.73 1swq n GLY 41 Ca -0.22 -0.73 -0.19 0.00 0.00 0.00 0.00 46.02 44.87 1swq n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swq s THR 42 N -3.48 0.82 -0.32 2.61 2.01 0.66 -1.45 115.64 116.49 1swq s THR 42 Ca 0.00 -0.49 -0.02 0.00 0.31 0.00 0.00 61.69 61.49 1swq s THR 42 Cb 0.00 -0.69 0.06 0.00 0.01 0.00 0.00 72.50 71.88 1swq s THR 42 CO 0.00 0.20 0.04 -0.47 -0.69 0.00 0.00 174.62 173.70 1swq s TYR 43 N -0.31 3.35 -0.85 4.92 6.14 -0.36 -0.05 117.35 130.19 1swq s TYR 43 Ca 0.03 -2.01 -0.20 0.00 0.64 0.00 0.00 57.07 55.53 1swq s TYR 43 Cb -0.04 -2.36 0.10 0.00 0.42 0.00 0.00 41.96 40.09 1swq s TYR 43 CO -0.00 -0.84 1.10 -1.21 0.64 0.00 0.00 175.55 175.24 1swq s GLU 44 N 1.22 3.44 -0.01 4.97 8.01 0.23 -1.91 118.70 134.65 1swq s GLU 44 Ca -0.02 -1.41 -0.07 0.00 0.01 0.00 0.00 54.97 53.48 1swq s GLU 44 Cb -0.20 -4.73 -0.04 0.00 -4.31 0.00 0.00 34.13 24.84 1swq s GLU 44 CO -0.02 -1.82 0.63 0.66 0.01 0.00 0.00 175.26 174.72 1swq h SER 45 N 9.15 -0.21 0.00 -0.19 4.64 -1.90 0.33 113.55 125.36 1swq h SER 45 Ca 0.02 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1swq h SER 45 Cb 1.04 0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1swq h SER 45 CO 1.16 -0.07 0.00 -1.54 -0.87 0.00 0.00 176.83 175.51 1swq n SER 52 N -3.16 0.00 -4.73 4.97 3.41 -1.26 -4.81 113.62 108.04 1swq n SER 52 Ca -0.03 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.23 1swq n SER 52 Cb 0.10 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 63.97 1swq n SER 52 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1swq s ARG 53 N 0.00 4.16 0.04 4.33 0.52 -1.26 -4.96 118.95 121.78 1swq s ARG 53 Ca 0.00 -0.22 0.05 0.00 -0.52 0.00 0.00 55.73 55.04 1swq s ARG 53 Cb 0.00 -3.41 -0.02 0.00 0.52 0.00 0.00 34.95 32.04 1swq s ARG 53 CO 0.00 0.31 -0.14 0.71 0.02 0.00 0.00 175.30 176.20 1swq s TYR 54 N 0.32 1.22 0.19 -0.53 2.02 -0.80 -4.80 117.35 114.97 1swq s TYR 54 Ca 0.08 -0.37 -0.30 0.00 -0.37 0.00 0.00 57.07 56.11 1swq s TYR 54 Cb -0.11 -0.72 -0.08 0.00 -0.40 0.00 0.00 41.96 40.65 1swq s TYR 54 CO -0.02 0.04 1.18 0.08 -1.57 0.00 0.00 175.55 175.26 1swq s VAL 55 N -0.92 3.58 0.19 0.71 1.01 -1.26 -1.22 120.40 122.48 1swq s VAL 55 Ca 0.01 1.35 0.10 0.00 0.00 0.00 0.00 61.98 63.43 1swq s VAL 55 Cb -0.08 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 1swq s VAL 55 CO 0.01 0.23 -0.13 -1.48 0.00 0.00 0.00 175.10 173.73 1swq s LEU 56 N -0.35 2.83 -0.09 3.92 0.05 -0.52 -4.31 118.68 120.21 1swq s LEU 56 Ca 0.52 -0.66 -0.19 0.00 0.05 0.00 0.00 54.13 53.85 1swq s LEU 56 Cb -0.32 -1.53 0.04 0.00 -2.05 0.00 0.00 46.19 42.33 1swq s LEU 56 CO 0.37 0.11 0.46 0.28 -0.55 0.00 0.00 176.35 177.02 1swq s THR 57 N -1.71 0.02 0.00 5.48 -1.32 -0.87 -2.30 115.64 114.95 1swq s THR 57 Ca 0.24 -0.17 0.00 0.00 -1.21 0.00 0.00 61.69 60.55 1swq s THR 57 Cb -0.08 -0.72 0.00 0.00 -1.51 0.00 0.00 72.50 70.18 1swq s THR 57 CO 0.14 -0.09 0.00 0.61 -2.21 0.00 0.00 174.62 173.06 1swq n GLY 58 N 1.85 1.27 3.00 6.08 0.00 -0.18 -0.73 105.19 116.48 1swq n GLY 58 Ca -0.18 -0.89 -0.09 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.76 0.37 0.07 1.61 1.81 -0.72 -0.12 118.95 120.21 1swq s ARG 59 Ca 0.00 -0.71 -0.04 0.00 -1.72 0.00 0.00 55.73 53.26 1swq s ARG 59 Cb 0.00 0.09 -0.03 0.00 -0.45 0.00 0.00 34.95 34.57 1swq s ARG 59 CO 0.00 -0.05 0.06 1.52 -0.68 0.00 0.00 175.30 176.15 1swq s TYR 60 N -1.80 0.40 -0.38 -0.53 1.13 -0.53 -1.49 117.35 114.15 1swq s TYR 60 Ca -0.12 -0.90 -0.29 0.00 -1.41 0.00 0.00 57.07 54.35 1swq s TYR 60 Cb -0.07 -0.27 0.00 0.00 -1.10 0.00 0.00 41.96 40.52 1swq s TYR 60 CO -0.02 -0.45 1.51 0.34 -2.51 0.00 0.00 175.55 174.42 1swq s ASP 61 N -2.90 6.25 0.00 -0.18 2.15 0.28 -4.69 116.67 117.57 1swq s ASP 61 Ca 0.07 0.99 0.10 0.00 0.43 0.00 0.00 52.55 54.14 1swq s ASP 61 Cb 0.07 -2.54 0.40 0.00 -0.30 0.00 0.00 42.92 40.55 1swq s ASP 61 CO -0.10 -1.48 1.29 -1.54 -0.17 0.00 0.00 175.17 173.18 1swq n SER 62 N 9.10 0.99 -3.00 -0.34 3.41 -1.26 -3.93 113.62 118.60 1swq n SER 62 Ca 0.18 -1.87 -0.16 0.00 -0.26 0.00 0.00 58.87 56.76 1swq n SER 62 Cb 0.47 -0.11 -0.00 0.00 -0.26 0.00 0.00 64.21 64.32 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 -0.01 0.77 -1.13 7.33 0.00 -1.26 -5.02 120.51 121.18 1swq n ALA 63 Ca 0.09 -2.54 -0.29 0.00 0.00 0.00 0.00 53.44 50.70 1swq n ALA 63 Cb 0.18 -1.04 0.19 0.00 0.00 0.00 0.00 19.45 18.78 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 -0.75 0.13 0.59 0.00 0.04 -1.25 -5.01 135.00 128.75 1swq s PRO 64 Ca 0.33 0.45 -0.17 0.00 0.04 0.00 0.00 61.00 61.64 1swq s PRO 64 Cb 0.25 -1.71 -0.03 0.00 0.04 0.00 0.00 34.50 33.05 1swq s PRO 64 CO -0.13 -2.92 1.12 0.00 0.04 0.00 0.00 177.00 175.12 1swq s ALA 65 N -2.95 2.60 -0.39 8.56 0.00 -1.26 -4.97 121.76 123.34 1swq s ALA 65 Ca 0.66 0.70 0.05 0.00 0.00 0.00 0.00 51.96 53.38 1swq s ALA 65 Cb -0.18 -3.34 0.45 0.00 0.00 0.00 0.00 23.12 20.04 1swq s ALA 65 CO 0.58 -1.00 1.29 0.25 0.00 0.00 0.00 175.76 176.88 1swq n THR 66 N -1.80 2.65 -0.73 0.00 -2.24 -1.26 -4.59 114.28 106.30 1swq n THR 66 Ca 0.11 -4.26 0.07 0.00 -2.27 0.00 0.00 64.05 57.70 1swq n THR 66 Cb 0.51 -1.18 0.19 0.00 -2.10 0.00 0.00 70.33 67.75 1swq n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1swq n ASP 67 N -0.67 3.19 0.00 3.42 5.75 -1.26 -4.93 116.55 122.05 1swq n ASP 67 Ca 0.45 -2.71 0.00 0.00 -0.01 0.00 0.00 54.79 52.52 1swq n ASP 67 Cb 0.84 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 40.53 1swq n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1swq n GLY 68 N -0.47 0.80 3.71 6.12 0.00 -1.26 -5.06 105.19 109.04 1swq n GLY 68 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.08 3.63 0.73 1.61 0.01 -1.26 -5.03 113.70 111.30 1swq s SER 69 Ca 0.00 1.86 -0.02 0.00 1.31 0.00 0.00 55.95 59.10 1swq s SER 69 Cb 0.00 -2.46 0.13 0.00 0.21 0.00 0.00 66.02 63.89 1swq s SER 69 CO 0.00 -2.60 1.01 -0.83 0.41 0.00 0.00 173.24 171.23 1swq s GLY 70 N -3.12 1.76 -0.40 3.44 0.00 -1.26 -4.88 107.32 102.85 1swq s GLY 70 Ca 0.64 -1.65 -0.18 0.00 0.00 0.00 0.00 44.72 43.53 1swq s GLY 70 CO 0.57 -1.08 0.47 -1.59 0.00 0.00 0.00 173.10 171.47 1swq s THR 71 N -3.19 5.04 0.42 0.90 2.01 -0.60 -4.79 115.64 115.43 1swq s THR 71 Ca 0.66 -0.13 -0.25 0.00 0.31 0.00 0.00 61.69 62.28 1swq s THR 71 Cb -0.06 -4.03 -0.08 0.00 0.01 0.00 0.00 72.50 68.34 1swq s THR 71 CO 0.45 -0.38 1.25 0.00 -0.69 0.00 0.00 174.62 175.24 1swq s ALA 72 N 2.27 3.17 0.22 7.40 0.00 -1.26 -1.44 121.76 132.12 1swq s ALA 72 Ca 0.15 1.12 -0.20 0.00 0.00 0.00 0.00 51.96 53.03 1swq s ALA 72 Cb -0.16 -3.45 0.03 0.00 0.00 0.00 0.00 23.12 19.54 1swq s ALA 72 CO 0.14 -0.74 0.61 -0.48 0.00 0.00 0.00 175.76 175.29 1swq s LEU 73 N -2.57 -0.16 0.07 0.00 2.34 -0.45 -0.55 118.68 117.36 1swq s LEU 73 Ca 0.58 -0.47 -0.22 0.00 0.06 0.00 0.00 54.13 54.08 1swq s LEU 73 Cb -0.35 2.42 0.05 0.00 -0.56 0.00 0.00 46.19 47.76 1swq s LEU 73 CO 0.44 -1.15 0.53 -0.83 -1.06 0.00 0.00 176.35 174.28 1swq s GLY 74 N -2.88 -0.46 0.18 -3.48 0.00 -0.55 -1.08 107.32 99.05 1swq s GLY 74 Ca 0.09 0.56 -0.16 0.00 0.00 0.00 0.00 44.72 45.21 1swq s GLY 74 CO -0.00 0.25 0.47 0.66 0.00 0.00 0.00 173.10 174.48 1swq s TRP 75 N -2.75 -0.08 -0.02 1.90 -2.14 0.00 -1.75 118.94 114.10 1swq s TRP 75 Ca -0.04 -0.26 0.04 0.00 2.66 0.00 0.00 56.10 58.50 1swq s TRP 75 Cb -0.00 0.31 -0.00 0.00 -3.10 0.00 0.00 33.47 30.67 1swq s TRP 75 CO -0.04 -0.85 -0.14 0.99 -2.66 0.00 0.00 176.95 174.25 1swq s THR 76 N -3.87 1.13 -0.15 0.66 2.01 0.09 -0.11 115.64 115.39 1swq s THR 76 Ca 0.09 -0.57 0.00 0.00 0.31 0.00 0.00 61.69 61.52 1swq s THR 76 Cb 0.00 -0.96 0.02 0.00 0.01 0.00 0.00 72.50 71.57 1swq s THR 76 CO -0.04 0.33 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.38 1swq s VAL 77 N -0.07 1.62 -0.14 3.82 1.01 -0.11 -2.04 120.40 124.48 1swq s VAL 77 Ca 0.00 -0.67 -0.17 0.00 0.00 0.00 0.00 61.98 61.14 1swq s VAL 77 Cb -0.08 -1.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.74 1swq s VAL 77 CO 0.01 0.46 0.45 0.00 0.00 0.00 0.00 175.10 176.02 1swq s ALA 78 N 1.47 3.51 -1.12 5.51 0.00 -1.26 -0.55 121.76 129.31 1swq s ALA 78 Ca 0.05 -0.28 -0.07 0.00 0.00 0.00 0.00 51.96 51.66 1swq s ALA 78 Cb -0.13 -2.63 -0.02 0.00 0.00 0.00 0.00 23.12 20.34 1swq s ALA 78 CO -0.11 -0.07 2.83 0.91 0.00 0.00 0.00 175.76 179.32 1swq n TRP 79 N 3.88 2.01 -4.37 0.00 7.02 -0.03 -4.76 117.44 121.21 1swq n TRP 79 Ca -0.08 -2.61 -0.20 0.00 -1.02 0.00 0.00 57.50 53.60 1swq n TRP 79 Cb 0.51 -1.98 -0.15 0.00 -2.42 0.00 0.00 31.31 27.27 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 0.29 0.87 0.00 -0.99 2.20 -1.26 -1.37 119.74 119.48 1swq s LYS 80 Ca 0.62 -0.30 0.00 0.00 -0.36 0.00 0.00 55.97 55.93 1swq s LYS 80 Cb 0.23 -0.83 0.00 0.00 -1.51 0.00 0.00 37.83 35.72 1swq s LYS 80 CO -0.09 0.13 0.00 0.27 -0.36 0.00 0.00 175.35 175.30 1swq n ASN 81 N 3.18 0.29 -0.00 1.43 0.23 -0.45 -4.73 115.26 115.20 1swq n ASN 81 Ca -0.17 -0.32 0.15 0.00 -0.53 0.00 0.00 54.58 53.72 1swq n ASN 81 Cb 0.55 0.00 0.86 0.00 -2.08 0.00 0.00 39.78 39.11 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 -0.86 0.01 -0.00 0.53 5.03 -1.26 -3.61 115.26 115.10 1swq n ASN 82 Ca 0.00 -0.64 0.01 0.00 0.87 0.00 0.00 54.58 54.82 1swq n ASN 82 Cb 0.00 -0.12 -0.01 0.00 -1.02 0.00 0.00 39.78 38.63 1swq n ASN 82 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1swq n TYR 83 N -1.11 0.00 -3.64 3.10 4.01 -1.26 -5.11 117.16 113.15 1swq n TYR 83 Ca 0.20 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.87 1swq n TYR 83 Cb 0.17 -0.03 -0.02 0.00 -0.31 0.00 0.00 39.34 39.15 1swq n TYR 83 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1swq s ARG 84 N -2.02 1.11 -0.25 -0.72 1.70 -1.24 -5.14 118.95 112.40 1swq s ARG 84 Ca -0.00 -0.54 -0.05 0.00 -0.47 0.00 0.00 55.73 54.67 1swq s ARG 84 Cb 0.01 0.43 0.13 0.00 -0.57 0.00 0.00 34.95 34.95 1swq s ARG 84 CO 0.06 -0.50 0.48 1.21 -1.08 0.00 0.00 175.30 175.47 1swq s ASN 85 N -2.75 -0.49 0.00 -2.89 3.84 -1.26 -1.35 114.94 110.04 1swq s ASN 85 Ca 0.08 0.88 0.20 0.00 0.21 0.00 0.00 52.86 54.23 1swq s ASN 85 Cb -0.02 1.61 0.88 0.00 -0.55 0.00 0.00 41.25 43.17 1swq s ASN 85 CO -0.03 -0.25 1.61 0.00 -2.79 0.00 0.00 177.10 175.63 1swq n ALA 86 N 5.40 2.55 -4.12 1.71 0.00 -0.47 -4.95 120.51 120.64 1swq n ALA 86 Ca -0.06 -0.37 -0.41 0.00 0.00 0.00 0.00 53.44 52.59 1swq n ALA 86 Cb 0.50 -1.16 -0.01 0.00 0.00 0.00 0.00 19.45 18.77 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 -0.09 -1.39 -3.73 0.00 -0.00 -1.26 -4.82 115.22 103.93 1swq n HIS 87 Ca 0.15 0.27 -0.10 0.00 -0.00 0.00 0.00 57.72 58.04 1swq n HIS 87 Cb 0.23 -2.87 -0.04 0.00 -0.00 0.00 0.00 29.99 27.31 1swq n HIS 87 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1swq s SER 88 N -3.80 -0.26 -0.10 0.41 1.04 -1.26 -0.79 113.70 108.94 1swq s SER 88 Ca 0.34 -0.46 -0.06 0.00 0.48 0.00 0.00 55.95 56.24 1swq s SER 88 Cb -0.18 0.57 0.04 0.00 0.10 0.00 0.00 66.02 66.55 1swq s SER 88 CO 0.97 -1.03 0.24 0.00 0.98 0.00 0.00 173.24 174.39 1swq s ALA 89 N -3.87 -0.55 -0.09 5.32 0.00 -0.48 -0.85 121.76 121.25 1swq s ALA 89 Ca 0.09 0.87 -0.00 0.00 0.00 0.00 0.00 51.96 52.91 1swq s ALA 89 Cb -0.01 -0.54 -0.03 0.00 0.00 0.00 0.00 23.12 22.55 1swq s ALA 89 CO -0.04 -0.17 -0.06 0.99 0.00 0.00 0.00 175.76 176.49 1swq s THR 90 N 0.87 3.78 -0.08 0.00 2.01 0.29 -1.18 115.64 121.32 1swq s THR 90 Ca -0.06 -0.44 0.04 0.00 0.31 0.00 0.00 61.69 61.54 1swq s THR 90 Cb -0.07 -2.57 -0.01 0.00 0.01 0.00 0.00 72.50 69.85 1swq s THR 90 CO -0.05 0.57 -0.22 0.42 -0.69 0.00 0.00 174.62 174.65 1swq s THR 91 N -0.50 2.31 -0.15 -0.82 -4.23 -0.16 -0.93 115.64 111.15 1swq s THR 91 Ca 0.08 -0.96 -0.03 0.00 -1.18 0.00 0.00 61.69 59.60 1swq s THR 91 Cb -0.12 -1.88 -0.03 0.00 1.34 0.00 0.00 72.50 71.82 1swq s THR 91 CO 0.02 0.56 -0.05 0.26 -0.54 0.00 0.00 174.62 174.87 1swq s TRP 92 N -0.01 3.00 -0.08 3.99 0.51 0.84 -1.51 118.94 125.67 1swq s TRP 92 Ca -0.07 -0.31 0.03 0.00 -2.12 0.00 0.00 56.10 53.63 1swq s TRP 92 Cb -0.15 -1.93 0.01 0.00 -0.81 0.00 0.00 33.47 30.59 1swq s TRP 92 CO 0.05 -0.02 -0.18 0.45 -0.51 0.00 0.00 176.95 176.73 1swq s SER 93 N 0.27 2.48 0.00 2.95 0.15 -0.35 -0.82 113.70 118.38 1swq s SER 93 Ca -0.04 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.17 1swq s SER 93 Cb -0.14 -1.14 0.00 0.00 -1.71 0.00 0.00 66.02 63.03 1swq s SER 93 CO 0.03 0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.18 1swq n GLY 94 N 3.67 1.17 3.14 9.45 0.00 -0.24 -1.23 105.19 121.15 1swq n GLY 94 Ca -0.21 -0.44 -0.13 0.00 0.00 0.00 0.00 46.02 45.25 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 1.53 0.37 0.16 1.61 -2.07 -0.59 -1.35 119.66 119.33 1swq s GLN 95 Ca 0.00 0.15 -0.22 0.00 -1.82 0.00 0.00 55.36 53.47 1swq s GLN 95 Cb 0.00 0.17 -0.08 0.00 -1.09 0.00 0.00 33.01 32.01 1swq s GLN 95 CO 0.00 -0.07 0.72 -0.47 -1.32 0.00 0.00 175.29 174.15 1swq s TYR 96 N -0.31 3.81 -0.14 9.60 5.04 -0.52 -0.73 117.35 134.10 1swq s TYR 96 Ca -0.04 1.48 -0.01 0.00 -2.44 0.00 0.00 57.07 56.06 1swq s TYR 96 Cb -0.03 -2.66 0.04 0.00 0.35 0.00 0.00 41.96 39.65 1swq s TYR 96 CO 0.01 0.47 -0.02 0.08 -1.34 0.00 0.00 175.55 174.76 1swq s VAL 97 N -1.26 0.73 0.00 3.14 1.01 0.59 -1.56 120.40 123.05 1swq s VAL 97 Ca 0.37 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.01 1swq s VAL 97 Cb -0.20 -0.96 0.00 0.00 0.00 0.00 0.00 36.38 35.21 1swq s VAL 97 CO 0.23 0.12 0.00 0.61 0.00 0.00 0.00 175.10 176.06 1swq n GLY 98 N 5.01 -0.81 0.00 4.51 0.00 -1.26 -0.63 105.19 112.00 1swq n GLY 98 Ca -0.10 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.24 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 5.00 -0.70 0.12 -0.02 0.00 -1.26 -4.44 105.19 103.89 1swq n GLY 99 Ca 0.00 -2.19 -0.10 0.00 0.00 0.00 0.00 46.02 43.73 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 0.29 -1.89 4.61 0.00 -2.07 -3.25 119.26 116.95 1swq h ALA 100 Ca 0.00 -0.05 -0.79 0.00 0.00 0.00 0.00 54.91 54.07 1swq h ALA 100 Cb 0.00 -0.09 -0.29 0.00 0.00 0.00 0.00 17.79 17.40 1swq h ALA 100 CO 0.00 -0.19 0.67 0.39 0.00 0.00 0.00 179.25 180.12 1swq n GLU 101 N -4.89 4.38 -2.12 0.00 1.02 -1.26 -5.05 120.64 112.72 1swq n GLU 101 Ca -0.03 -4.58 -0.41 0.00 -0.02 0.00 0.00 57.16 52.12 1swq n GLU 101 Cb 0.06 -2.48 -0.02 0.00 -0.02 0.00 0.00 31.44 28.97 1swq n GLU 101 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1swq s ALA 102 N -2.90 3.53 0.03 0.62 0.00 -1.23 -4.88 121.76 116.93 1swq s ALA 102 Ca 0.33 1.24 -0.08 0.00 0.00 0.00 0.00 51.96 53.45 1swq s ALA 102 Cb 0.07 -3.49 -0.00 0.00 0.00 0.00 0.00 23.12 19.70 1swq s ALA 102 CO 0.08 -0.63 0.15 1.03 0.00 0.00 0.00 175.76 176.38 1swq s ARG 103 N -1.16 0.62 -0.26 0.00 1.81 0.20 -4.15 118.95 116.00 1swq s ARG 103 Ca 0.53 -0.64 -0.02 0.00 -1.72 0.00 0.00 55.73 53.88 1swq s ARG 103 Cb -0.39 0.25 0.03 0.00 -0.45 0.00 0.00 34.95 34.38 1swq s ARG 103 CO 0.48 -0.16 -0.04 0.42 -0.68 0.00 0.00 175.30 175.31 1swq s ILE 104 N -2.37 2.98 -0.22 1.52 1.01 -0.27 -0.30 121.20 123.55 1swq s ILE 104 Ca -0.07 -1.03 -0.12 0.00 0.00 0.00 0.00 60.65 59.43 1swq s ILE 104 Cb -0.02 -2.54 -0.05 0.00 0.01 0.00 0.00 42.46 39.87 1swq s ILE 104 CO -0.03 0.16 0.23 0.20 0.00 0.00 0.00 174.94 175.50 1swq s ASN 105 N 1.33 6.24 0.17 3.58 0.01 0.09 -1.68 114.94 124.69 1swq s ASN 105 Ca -0.00 0.27 0.06 0.00 -0.71 0.00 0.00 52.86 52.47 1swq s ASN 105 Cb -0.17 -2.14 -0.04 0.00 0.41 0.00 0.00 41.25 39.30 1swq s ASN 105 CO -0.04 0.04 -0.12 0.42 -1.51 0.00 0.00 177.10 175.90 1swq s THR 106 N 1.00 1.42 0.10 1.60 -4.23 0.06 -1.55 115.64 114.05 1swq s THR 106 Ca 0.11 -2.11 0.10 0.00 -1.18 0.00 0.00 61.69 58.62 1swq s THR 106 Cb -0.13 -1.91 -0.04 0.00 1.34 0.00 0.00 72.50 71.76 1swq s THR 106 CO 0.05 -0.66 -0.27 -1.10 -0.54 0.00 0.00 174.62 172.10 1swq s GLN 107 N -3.64 1.54 0.19 3.99 -0.21 -0.37 -1.77 119.66 119.40 1swq s GLN 107 Ca 0.19 -1.27 0.03 0.00 0.02 0.00 0.00 55.36 54.32 1swq s GLN 107 Cb 0.01 -1.93 -0.05 0.00 1.00 0.00 0.00 33.01 32.04 1swq s GLN 107 CO 0.03 0.47 -0.01 1.67 -2.12 0.00 0.00 175.29 175.34 1swq s TRP 108 N -0.98 1.33 -0.06 0.91 1.48 0.48 -1.21 118.94 120.89 1swq s TRP 108 Ca 0.13 -0.97 0.01 0.00 -1.06 0.00 0.00 56.10 54.21 1swq s TRP 108 Cb -0.10 -0.75 0.02 0.00 -1.16 0.00 0.00 33.47 31.48 1swq s TRP 108 CO 0.05 -0.14 -0.05 -0.51 -4.06 0.00 0.00 176.95 172.24 1swq s LEU 109 N -3.22 1.23 -0.25 -4.66 1.43 -0.57 -2.04 118.68 110.60 1swq s LEU 109 Ca 0.25 -0.16 -0.03 0.00 -1.03 0.00 0.00 54.13 53.16 1swq s LEU 109 Cb 0.06 -0.55 0.02 0.00 0.03 0.00 0.00 46.19 45.75 1swq s LEU 109 CO 0.05 -0.07 -0.04 -0.22 0.23 0.00 0.00 176.35 176.30 1swq s LEU 110 N 1.16 3.24 -0.16 1.79 2.96 0.95 -0.99 118.68 127.62 1swq s LEU 110 Ca -0.07 -0.79 -0.01 0.00 -0.22 0.00 0.00 54.13 53.03 1swq s LEU 110 Cb -0.14 -1.70 -0.01 0.00 0.50 0.00 0.00 46.19 44.84 1swq s LEU 110 CO -0.01 -0.12 -0.10 -0.89 -1.32 0.00 0.00 176.35 173.90 1swq s THR 111 N 1.37 3.19 0.07 3.68 2.01 -0.33 0.70 115.64 126.33 1swq s THR 111 Ca 0.01 -0.59 0.00 0.00 0.31 0.00 0.00 61.69 61.42 1swq s THR 111 Cb -0.16 -2.38 -0.04 0.00 0.01 0.00 0.00 72.50 69.93 1swq s THR 111 CO -0.03 0.50 0.21 -0.44 -0.69 0.00 0.00 174.62 174.16 1swq s SER 112 N 0.66 6.30 -0.05 3.53 0.01 -0.79 -1.38 113.70 121.98 1swq s SER 112 Ca -0.05 0.24 -0.30 0.00 1.31 0.00 0.00 55.95 57.15 1swq s SER 112 Cb -0.15 -1.92 -0.04 0.00 0.21 0.00 0.00 66.02 64.11 1swq s SER 112 CO 0.02 0.16 1.31 -0.83 0.41 0.00 0.00 173.24 174.32 1swq s GLY 113 N -2.57 1.91 0.20 3.44 0.00 0.03 -4.88 107.32 105.45 1swq s GLY 113 Ca 0.35 0.72 0.07 0.00 0.00 0.00 0.00 44.72 45.85 1swq s GLY 113 CO 0.28 2.42 -0.12 -0.51 0.00 0.00 0.00 173.10 175.17 1swq s THR 114 N 2.56 1.57 0.83 0.90 -4.23 -1.26 -5.01 115.64 111.00 1swq s THR 114 Ca 0.60 -2.16 -0.11 0.00 -1.18 0.00 0.00 61.69 58.83 1swq s THR 114 Cb -0.27 -2.08 0.09 0.00 1.34 0.00 0.00 72.50 71.58 1swq s THR 114 CO 0.23 -0.57 1.09 0.42 -0.54 0.00 0.00 174.62 175.25 1swq s THR 115 N -3.08 2.99 -1.51 3.99 -4.23 -1.26 -4.85 115.64 107.69 1swq s THR 115 Ca 0.23 0.32 0.23 0.00 -1.18 0.00 0.00 61.69 61.29 1swq s THR 115 Cb 0.01 -2.91 0.44 0.00 1.34 0.00 0.00 72.50 71.38 1swq s THR 115 CO 0.06 -0.42 1.76 -0.62 -0.54 0.00 0.00 174.62 174.86 1swq n GLU 116 N -3.63 0.39 0.06 3.99 -0.58 -1.26 -1.78 120.64 117.83 1swq n GLU 116 Ca 0.07 0.06 -0.08 0.00 -0.42 0.00 0.00 57.16 56.79 1swq n GLU 116 Cb 0.55 -1.50 0.05 0.00 -0.57 0.00 0.00 31.44 29.97 1swq n GLU 116 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1swq h ALA 117 N 3.14 0.67 -0.40 0.62 0.00 -2.07 -3.13 119.26 118.10 1swq h ALA 117 Ca 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1swq h ALA 117 Cb 0.18 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1swq h ALA 117 CO 0.00 0.76 0.00 0.09 0.00 0.00 0.00 179.25 180.10 1swq n ASN 118 N -3.85 3.49 0.14 0.00 4.13 -0.86 -4.60 115.26 113.72 1swq n ASN 118 Ca -0.04 -2.30 0.12 0.00 1.68 0.00 0.00 54.58 54.04 1swq n ASN 118 Cb 0.68 -0.37 0.52 0.00 -1.54 0.00 0.00 39.78 39.07 1swq n ASN 118 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1swq n ALA 119 N 0.44 1.47 0.61 5.41 0.00 -0.73 -1.84 120.51 125.87 1swq n ALA 119 Ca 0.17 0.12 0.13 0.00 0.00 0.00 0.00 53.44 53.86 1swq n ALA 119 Cb 0.62 -1.37 0.40 0.00 0.00 0.00 0.00 19.45 19.10 1swq n ALA 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1swq n ALA 120 N -1.78 2.27 -1.56 0.00 0.00 -1.26 -2.84 120.51 115.34 1swq n ALA 120 Ca 0.01 -0.02 -0.10 0.00 0.00 0.00 0.00 53.44 53.33 1swq n ALA 120 Cb 0.17 -1.47 0.16 0.00 0.00 0.00 0.00 19.45 18.31 1swq n ALA 120 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1swq n LYS 121 N -2.29 2.19 0.14 0.00 2.85 -0.77 -4.73 118.16 115.56 1swq n LYS 121 Ca 0.05 -3.38 0.10 0.00 -1.05 0.00 0.00 58.31 54.03 1swq n LYS 121 Cb 0.43 -1.93 0.05 0.00 -0.65 0.00 0.00 35.03 32.94 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 1.29 0.00 -3.16 -5.58 4.64 -1.53 -3.47 113.55 105.74 1swq h SER 122 Ca 0.27 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.94 1swq h SER 122 Cb 1.54 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 63.29 1swq h SER 122 CO 0.54 0.11 -0.86 -0.89 -0.87 0.00 0.00 176.83 174.87 1swq s THR 123 N -3.22 1.90 0.08 2.95 2.01 -1.26 -1.89 115.64 116.21 1swq s THR 123 Ca 0.02 -0.87 -0.01 0.00 0.31 0.00 0.00 61.69 61.15 1swq s THR 123 Cb 0.08 -1.71 -0.04 0.00 0.01 0.00 0.00 72.50 70.83 1swq s THR 123 CO 0.74 0.52 0.25 -0.76 -0.69 0.00 0.00 174.62 174.69 1swq s LEU 124 N 1.07 4.34 0.09 4.42 1.43 0.22 -4.89 118.68 125.35 1swq s LEU 124 Ca -0.02 0.34 0.10 0.00 -1.03 0.00 0.00 54.13 53.52 1swq s LEU 124 Cb -0.14 -3.04 -0.03 0.00 0.03 0.00 0.00 46.19 43.00 1swq s LEU 124 CO -0.06 0.13 -0.25 0.54 0.23 0.00 0.00 176.35 176.94 1swq s VAL 125 N -1.56 2.05 0.07 -1.59 0.11 -1.26 -0.04 120.40 118.18 1swq s VAL 125 Ca 0.36 -1.54 -0.05 0.00 -2.93 0.00 0.00 61.98 57.83 1swq s VAL 125 Cb -0.13 -1.80 0.02 0.00 -1.53 0.00 0.00 36.38 32.94 1swq s VAL 125 CO 0.27 0.16 0.23 0.61 -3.33 0.00 0.00 175.10 173.04 1swq n GLY 126 N 1.31 1.43 3.12 6.54 0.00 -0.87 -4.99 105.19 111.74 1swq n GLY 126 Ca -0.18 -1.03 -0.10 0.00 0.00 0.00 0.00 46.02 44.72 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 -6.13 0.17 -0.13 1.61 -3.43 -1.26 -0.39 115.29 105.73 1swq s HIS 127 Ca 0.05 -0.43 -0.10 0.00 -0.80 0.00 0.00 55.06 53.77 1swq s HIS 127 Cb -0.01 -0.12 0.04 0.00 -1.43 0.00 0.00 32.58 31.06 1swq s HIS 127 CO 0.02 -0.36 0.33 -0.51 -2.00 0.00 0.00 174.74 172.22 1swq s ASP 128 N -2.02 -0.36 -0.12 7.38 1.01 -0.73 -4.94 116.67 116.89 1swq s ASP 128 Ca -0.06 0.67 0.02 0.00 0.71 0.00 0.00 52.55 53.89 1swq s ASP 128 Cb -0.02 0.65 -0.01 0.00 1.01 0.00 0.00 42.92 44.55 1swq s ASP 128 CO -0.04 -0.13 -0.18 -0.89 0.21 0.00 0.00 175.17 174.14 1swq s THR 129 N 0.48 2.55 -0.07 -1.27 2.01 -1.26 -0.76 115.64 117.33 1swq s THR 129 Ca -0.03 -0.84 0.02 0.00 0.31 0.00 0.00 61.69 61.15 1swq s THR 129 Cb -0.04 -2.03 -0.03 0.00 0.01 0.00 0.00 72.50 70.41 1swq s THR 129 CO -0.03 0.54 -0.09 -0.36 -0.69 0.00 0.00 174.62 173.99 1swq s PHE 130 N 0.42 2.86 0.21 4.92 0.08 -0.67 -4.17 117.98 121.63 1swq s PHE 130 Ca -0.13 -0.06 0.06 0.00 0.12 0.00 0.00 56.93 56.91 1swq s PHE 130 Cb -0.17 -1.70 -0.05 0.00 -0.57 0.00 0.00 43.02 40.54 1swq s PHE 130 CO 0.06 0.26 -0.09 0.99 -0.10 0.00 0.00 175.22 176.34 1swq s THR 131 N -0.72 1.43 -1.39 0.64 2.01 -0.05 -1.12 115.64 116.45 1swq s THR 131 Ca 0.11 -2.12 0.29 0.00 0.31 0.00 0.00 61.69 60.28 1swq s THR 131 Cb -0.11 -2.14 0.42 0.00 0.01 0.00 0.00 72.50 70.68 1swq s THR 131 CO 0.01 -0.52 1.93 0.29 -0.69 0.00 0.00 174.62 175.65 1swq n LYS 132 N -0.38 0.41 -0.12 4.92 4.76 -1.26 -1.48 118.16 125.00 1swq n LYS 132 Ca -0.07 -0.07 0.00 0.00 -2.87 0.00 0.00 58.31 55.29 1swq n LYS 132 Cb 0.62 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.31 1swq n LYS 132 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31