#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sws h ILE 17 N 0.00 1.27 -2.28 -0.61 2.04 -1.99 -3.44 117.51 112.50 1sws h ILE 17 Ca 0.00 -1.36 -0.58 0.00 1.00 0.00 0.00 64.86 63.92 1sws h ILE 17 Cb 0.00 1.21 0.05 0.00 -0.74 0.00 0.00 36.82 37.34 1sws h ILE 17 CO 0.00 0.46 0.86 0.41 0.00 0.00 0.00 178.15 179.88 1sws n THR 18 N -4.17 0.08 -0.61 -0.27 -1.04 -1.26 -4.75 114.28 102.26 1sws n THR 18 Ca -0.01 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 1sws n THR 18 Cb 0.45 -1.63 0.00 0.00 -1.82 0.00 0.00 70.33 67.33 1sws n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1sws n GLY 19 N 3.60 0.53 3.34 3.41 0.00 0.54 -4.98 105.19 111.63 1sws n GLY 19 Ca 0.18 -1.56 -0.33 0.00 0.00 0.00 0.00 46.02 44.30 1sws n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sws s THR 20 N -3.41 2.97 0.02 2.61 2.01 -1.26 -1.05 115.64 117.52 1sws s THR 20 Ca 0.00 -0.68 0.06 0.00 0.31 0.00 0.00 61.69 61.38 1sws s THR 20 Cb 0.00 -2.25 -0.02 0.00 0.01 0.00 0.00 72.50 70.24 1sws s THR 20 CO 0.00 0.52 -0.19 0.26 -0.69 0.00 0.00 174.62 174.52 1sws s TRP 21 N 0.54 1.68 0.07 4.92 0.52 0.16 -4.11 118.94 122.71 1sws s TRP 21 Ca -0.09 -0.35 0.06 0.00 0.02 0.00 0.00 56.10 55.75 1sws s TRP 21 Cb -0.16 -1.04 -0.03 0.00 -1.15 0.00 0.00 33.47 31.10 1sws s TRP 21 CO 0.04 0.03 -0.16 0.71 0.02 0.00 0.00 176.95 177.59 1sws s TYR 22 N -0.65 1.40 0.39 -1.98 2.02 0.37 -1.52 117.35 117.39 1sws s TYR 22 Ca 0.07 -0.42 0.05 0.00 -0.37 0.00 0.00 57.07 56.40 1sws s TYR 22 Cb -0.08 -0.80 -0.07 0.00 -0.40 0.00 0.00 41.96 40.62 1sws s TYR 22 CO 0.01 0.09 0.03 0.54 -1.57 0.00 0.00 175.55 174.65 1sws s ASN 23 N -1.58 3.36 0.06 2.29 4.22 -0.89 -0.54 114.94 121.86 1sws s ASN 23 Ca 0.02 -1.41 -0.11 0.00 -2.14 0.00 0.00 52.86 49.22 1sws s ASN 23 Cb -0.09 -0.18 -0.02 0.00 1.28 0.00 0.00 41.25 42.23 1sws s ASN 23 CO 0.02 -0.56 0.56 0.00 -2.04 0.00 0.00 177.10 175.09 1sws n GLN 24 N -0.90 -0.16 -3.80 3.55 0.00 -1.26 -3.33 117.38 111.49 1sws n GLN 24 Ca -0.05 0.55 -0.29 0.00 0.00 0.00 0.00 57.00 57.21 1sws n GLN 24 Cb 0.67 -0.81 -0.13 0.00 0.00 0.00 0.00 30.24 29.97 1sws n GLN 24 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1sws s LEU 25 N -8.92 3.55 0.00 2.61 1.43 -1.26 -4.93 118.68 111.17 1sws s LEU 25 Ca -0.04 -3.06 0.00 0.00 -1.03 0.00 0.00 54.13 50.00 1sws s LEU 25 Cb 0.04 -1.30 0.00 0.00 0.03 0.00 0.00 46.19 44.96 1sws s LEU 25 CO 0.23 -0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.21 1sws n GLY 26 N 3.00 0.18 3.87 -3.19 0.00 -1.21 -5.01 105.19 102.83 1sws n GLY 26 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1sws n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sws s SER 27 N -2.00 6.62 -0.00 1.61 0.01 -1.26 -4.13 113.70 114.54 1sws s SER 27 Ca 0.00 0.93 -0.02 0.00 1.31 0.00 0.00 55.95 58.17 1sws s SER 27 Cb 0.00 -2.23 -0.00 0.00 0.21 0.00 0.00 66.02 64.00 1sws s SER 27 CO 0.00 -0.09 0.03 -0.89 0.41 0.00 0.00 173.24 172.70 1sws s THR 28 N -1.85 0.04 0.02 1.44 2.01 -0.90 -2.10 115.64 114.29 1sws s THR 28 Ca 0.48 -0.34 -0.01 0.00 0.31 0.00 0.00 61.69 62.12 1sws s THR 28 Cb -0.11 -0.17 -0.02 0.00 0.01 0.00 0.00 72.50 72.21 1sws s THR 28 CO 0.22 -0.19 -0.00 0.72 -0.69 0.00 0.00 174.62 174.67 1sws s PHE 29 N -0.57 0.23 -0.21 4.92 -0.12 -0.57 -1.01 117.98 120.65 1sws s PHE 29 Ca -0.06 -0.49 -0.04 0.00 -0.05 0.00 0.00 56.93 56.29 1sws s PHE 29 Cb -0.04 -0.17 -0.01 0.00 -0.63 0.00 0.00 43.02 42.16 1sws s PHE 29 CO -0.00 -0.21 -0.04 0.42 -0.05 0.00 0.00 175.22 175.34 1sws s ILE 30 N -1.52 3.48 0.02 -4.49 1.09 -0.88 -0.67 121.20 118.23 1sws s ILE 30 Ca -0.15 -0.46 0.01 0.00 -1.10 0.00 0.00 60.65 58.95 1sws s ILE 30 Cb -0.09 -2.57 -0.01 0.00 -1.06 0.00 0.00 42.46 38.72 1sws s ILE 30 CO -0.01 0.43 -0.05 0.54 -0.10 0.00 0.00 174.94 175.76 1sws s VAL 31 N 1.26 0.33 -0.19 2.92 0.11 -0.22 -1.74 120.40 122.87 1sws s VAL 31 Ca 0.03 -0.58 -0.01 0.00 -2.93 0.00 0.00 61.98 58.50 1sws s VAL 31 Cb -0.14 -0.36 0.00 0.00 -1.53 0.00 0.00 36.38 34.35 1sws s VAL 31 CO -0.01 -0.17 -0.12 -0.89 -3.33 0.00 0.00 175.10 170.57 1sws s THR 32 N -0.73 2.78 -0.30 5.04 2.01 0.70 -0.34 115.64 124.80 1sws s THR 32 Ca -0.05 -0.71 -0.15 0.00 0.31 0.00 0.00 61.69 61.09 1sws s THR 32 Cb -0.06 -2.21 -0.03 0.00 0.01 0.00 0.00 72.50 70.22 1sws s THR 32 CO -0.00 0.49 0.37 0.00 -0.69 0.00 0.00 174.62 174.78 1sws s ALA 33 N 1.17 3.54 0.10 7.40 0.00 -1.26 -1.72 121.76 130.99 1sws s ALA 33 Ca 0.02 -0.95 0.02 0.00 0.00 0.00 0.00 51.96 51.04 1sws s ALA 33 Cb -0.14 -2.75 -0.04 0.00 0.00 0.00 0.00 23.12 20.19 1sws s ALA 33 CO -0.05 -0.80 0.22 0.20 0.00 0.00 0.00 175.76 175.33 1sws s GLY 34 N 1.68 1.95 0.53 0.00 0.00 -0.12 -4.92 107.32 106.44 1sws s GLY 34 Ca 0.14 -0.96 0.29 0.00 0.00 0.00 0.00 44.72 44.18 1sws s GLY 34 CO 0.11 -0.95 1.93 0.00 0.00 0.00 0.00 173.10 174.18 1sws h ALA 35 N 2.70 2.69 0.00 3.20 0.00 -1.98 0.39 119.26 126.26 1sws h ALA 35 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1sws h ALA 35 Cb 1.18 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1sws h ALA 35 CO 0.71 -0.91 0.00 0.38 0.00 0.00 0.00 179.25 179.43 1sws h ASP 36 N 0.02 0.00 0.00 0.00 2.03 -1.99 -3.46 116.42 113.02 1sws h ASP 36 Ca 0.37 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.67 1sws h ASP 36 Cb 1.43 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.93 1sws h ASP 36 CO -0.01 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.81 1sws n GLY 37 N 0.81 1.27 3.84 7.15 0.00 0.14 -4.94 105.19 113.46 1sws n GLY 37 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1sws n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sws s ALA 38 N -2.00 3.02 -0.20 4.61 0.00 -1.22 -1.86 121.76 124.10 1sws s ALA 38 Ca 0.00 0.21 0.01 0.00 0.00 0.00 0.00 51.96 52.18 1sws s ALA 38 Cb 0.00 -3.14 0.03 0.00 0.00 0.00 0.00 23.12 20.02 1sws s ALA 38 CO 0.00 -0.34 -0.15 -0.51 0.00 0.00 0.00 175.76 174.75 1sws s LEU 39 N -4.18 2.45 0.00 0.00 1.02 -0.29 -0.95 118.68 116.72 1sws s LEU 39 Ca 0.59 -0.87 0.02 0.00 0.02 0.00 0.00 54.13 53.90 1sws s LEU 39 Cb -0.11 -1.42 -0.01 0.00 0.02 0.00 0.00 46.19 44.68 1sws s LEU 39 CO 0.33 -0.08 -0.06 0.28 0.02 0.00 0.00 176.35 176.83 1sws s THR 40 N 1.28 0.50 -1.34 5.49 -1.32 -0.70 -1.32 115.64 118.24 1sws s THR 40 Ca 0.00 -0.35 0.00 0.00 -1.21 0.00 0.00 61.69 60.14 1sws s THR 40 Cb -0.15 -0.44 0.00 0.00 -1.51 0.00 0.00 72.50 70.40 1sws s THR 40 CO -0.10 0.09 0.00 0.61 -2.21 0.00 0.00 174.62 173.01 1sws n GLY 41 N 2.79 -0.59 2.99 6.08 0.00 -1.13 -0.21 105.19 115.11 1sws n GLY 41 Ca -0.14 -0.64 -0.18 0.00 0.00 0.00 0.00 46.02 45.06 1sws n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1sws s THR 42 N -3.28 0.63 -0.17 2.61 2.01 -0.71 -1.87 115.64 114.86 1sws s THR 42 Ca 0.00 -0.31 0.01 0.00 0.31 0.00 0.00 61.69 61.70 1sws s THR 42 Cb 0.00 -0.55 0.01 0.00 0.01 0.00 0.00 72.50 71.97 1sws s THR 42 CO 0.00 0.19 -0.18 -0.47 -0.69 0.00 0.00 174.62 173.47 1sws s TYR 43 N 0.01 2.76 -0.29 4.92 6.14 0.22 -2.08 117.35 129.03 1sws s TYR 43 Ca 0.00 -1.38 -0.04 0.00 0.64 0.00 0.00 57.07 56.29 1sws s TYR 43 Cb -0.05 -1.90 0.03 0.00 0.42 0.00 0.00 41.96 40.46 1sws s TYR 43 CO -0.00 -0.67 0.03 -2.00 0.64 0.00 0.00 175.55 173.56 1sws s GLU 44 N 1.08 2.77 0.00 4.97 2.12 -0.18 0.65 118.70 130.11 1sws s GLU 44 Ca -0.00 -1.05 0.25 0.00 0.36 0.00 0.00 54.97 54.53 1sws s GLU 44 Cb -0.14 -3.25 1.48 0.00 0.26 0.00 0.00 34.13 32.48 1sws s GLU 44 CO -0.06 -0.52 1.87 -1.13 -0.54 0.00 0.00 175.26 174.87 1sws n SER 45 N 4.75 0.00 0.04 -1.70 3.41 -0.14 -2.12 113.62 117.86 1sws n SER 45 Ca -0.14 -0.72 0.00 0.00 -0.26 0.00 0.00 58.87 57.75 1sws n SER 45 Cb 0.46 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 1sws n SER 45 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sws n ALA 46 N -1.03 0.00 0.00 7.33 0.00 -1.26 -4.62 120.51 120.93 1sws n ALA 46 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1sws n ALA 46 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 1sws n ALA 46 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1sws n GLU 51 N -2.80 0.00 -0.61 0.00 2.13 -1.26 -4.83 120.64 113.27 1sws n GLU 51 Ca 0.00 0.00 0.09 0.00 0.66 0.00 0.00 57.16 57.91 1sws n GLU 51 Cb 0.00 0.00 0.34 0.00 0.27 0.00 0.00 31.44 32.05 1sws n GLU 51 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1sws n SER 52 N 0.00 4.67 -4.81 4.31 3.41 -1.26 -4.87 113.62 115.07 1sws n SER 52 Ca 0.00 -2.57 -0.38 0.00 -0.26 0.00 0.00 58.87 55.66 1sws n SER 52 Cb 0.00 -0.56 -0.06 0.00 -0.26 0.00 0.00 64.21 63.33 1sws n SER 52 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1sws s ARG 53 N -2.07 4.03 0.03 4.33 0.52 -1.26 -0.96 118.95 123.57 1sws s ARG 53 Ca 0.48 0.46 -0.03 0.00 -0.52 0.00 0.00 55.73 56.11 1sws s ARG 53 Cb 0.33 -3.26 -0.02 0.00 0.52 0.00 0.00 34.95 32.52 1sws s ARG 53 CO 0.20 0.59 0.05 0.71 0.02 0.00 0.00 175.30 176.87 1sws s TYR 54 N -0.78 0.24 0.14 -0.53 2.02 0.21 -4.77 117.35 113.88 1sws s TYR 54 Ca 0.25 -0.54 -0.30 0.00 -0.37 0.00 0.00 57.07 56.10 1sws s TYR 54 Cb -0.17 -0.18 -0.07 0.00 -0.40 0.00 0.00 41.96 41.14 1sws s TYR 54 CO 0.13 -0.30 1.24 0.08 -1.57 0.00 0.00 175.55 175.12 1sws s VAL 55 N -2.28 3.64 0.15 0.71 1.01 -1.26 0.71 120.40 123.07 1sws s VAL 55 Ca -0.08 1.28 0.10 0.00 0.00 0.00 0.00 61.98 63.28 1sws s VAL 55 Cb -0.03 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1sws s VAL 55 CO -0.03 0.16 -0.21 -1.48 0.00 0.00 0.00 175.10 173.53 1sws s LEU 56 N 0.35 2.56 -0.10 3.92 0.05 -0.78 -4.44 118.68 120.23 1sws s LEU 56 Ca 0.57 -0.69 -0.17 0.00 0.05 0.00 0.00 54.13 53.88 1sws s LEU 56 Cb -0.33 -1.37 0.04 0.00 -2.05 0.00 0.00 46.19 42.48 1sws s LEU 56 CO 0.34 0.15 0.43 0.28 -0.55 0.00 0.00 176.35 177.00 1sws s THR 57 N -1.33 0.02 0.00 5.48 -1.32 -0.80 -2.85 115.64 114.85 1sws s THR 57 Ca 0.18 -0.16 0.00 0.00 -1.21 0.00 0.00 61.69 60.50 1sws s THR 57 Cb -0.09 -0.67 0.00 0.00 -1.51 0.00 0.00 72.50 70.23 1sws s THR 57 CO 0.10 -0.09 0.00 0.61 -2.21 0.00 0.00 174.62 173.03 1sws n GLY 58 N 2.06 1.89 3.11 6.08 0.00 -0.43 -1.14 105.19 116.74 1sws n GLY 58 Ca -0.17 -0.82 -0.10 0.00 0.00 0.00 0.00 46.02 44.93 1sws n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1sws s ARG 59 N -0.43 0.66 0.12 1.61 1.81 -0.88 -1.14 118.95 120.69 1sws s ARG 59 Ca 0.00 -1.09 -0.12 0.00 -1.72 0.00 0.00 55.73 52.80 1sws s ARG 59 Cb 0.00 -0.11 0.01 0.00 -0.45 0.00 0.00 34.95 34.40 1sws s ARG 59 CO 0.00 -0.02 0.30 1.52 -0.68 0.00 0.00 175.30 176.42 1sws s TYR 60 N -2.88 0.01 -0.52 -0.53 1.13 -0.78 -1.77 117.35 112.01 1sws s TYR 60 Ca 0.02 -0.38 -0.28 0.00 -1.41 0.00 0.00 57.07 55.03 1sws s TYR 60 Cb 0.00 0.10 -0.00 0.00 -1.10 0.00 0.00 41.96 40.96 1sws s TYR 60 CO -0.04 -0.64 1.61 0.34 -2.51 0.00 0.00 175.55 174.31 1sws s ASP 61 N -2.85 5.86 0.00 -0.18 -1.08 -0.54 -4.69 116.67 113.19 1sws s ASP 61 Ca 0.05 0.53 0.28 0.00 -0.52 0.00 0.00 52.55 52.89 1sws s ASP 61 Cb 0.03 -2.54 1.07 0.00 -1.46 0.00 0.00 42.92 40.02 1sws s ASP 61 CO -0.10 -1.88 1.75 -1.54 0.52 0.00 0.00 175.17 173.93 1sws n SER 62 N 10.54 1.14 -3.22 -0.34 3.41 -1.26 -3.97 113.62 119.92 1sws n SER 62 Ca 0.17 -1.21 -0.24 0.00 -0.26 0.00 0.00 58.87 57.33 1sws n SER 62 Cb 0.49 0.03 -0.06 0.00 -0.26 0.00 0.00 64.21 64.41 1sws n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sws n ALA 63 N -0.25 3.10 -1.03 7.33 0.00 -1.26 -5.07 120.51 123.32 1sws n ALA 63 Ca 0.17 -3.95 -0.29 0.00 0.00 0.00 0.00 53.44 49.37 1sws n ALA 63 Cb 0.32 -0.85 0.20 0.00 0.00 0.00 0.00 19.45 19.13 1sws n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1sws s PRO 64 N -2.09 -0.18 0.82 0.00 0.04 -1.25 -5.02 135.00 127.31 1sws s PRO 64 Ca 0.39 0.46 -0.11 0.00 0.04 0.00 0.00 61.00 61.78 1sws s PRO 64 Cb 0.21 -1.67 0.08 0.00 0.04 0.00 0.00 34.50 33.17 1sws s PRO 64 CO -0.08 -3.13 1.09 0.00 0.04 0.00 0.00 177.00 174.92 1sws s ALA 65 N -2.87 2.01 -0.12 8.56 0.00 -1.26 -4.97 121.76 123.11 1sws s ALA 65 Ca 0.67 0.04 0.16 0.00 0.00 0.00 0.00 51.96 52.83 1sws s ALA 65 Cb -0.19 -3.20 0.27 0.00 0.00 0.00 0.00 23.12 20.00 1sws s ALA 65 CO 0.59 -1.94 1.14 0.25 0.00 0.00 0.00 175.76 175.79 1sws n THR 66 N -3.61 1.69 1.17 0.00 -2.24 -1.26 -4.61 114.28 105.41 1sws n THR 66 Ca 0.08 -2.09 0.06 0.00 -2.27 0.00 0.00 64.05 59.83 1sws n THR 66 Cb 0.54 -0.14 0.21 0.00 -2.10 0.00 0.00 70.33 68.84 1sws n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1sws n ASP 67 N -1.23 1.48 0.00 3.42 5.68 -1.26 -4.88 116.55 119.76 1sws n ASP 67 Ca 0.14 -1.90 0.00 0.00 -0.50 0.00 0.00 54.79 52.54 1sws n ASP 67 Cb 0.66 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 1sws n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1sws n GLY 68 N 0.99 0.61 3.83 6.12 0.00 -1.26 -5.09 105.19 110.39 1sws n GLY 68 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 1sws n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sws s SER 69 N -2.80 5.31 0.95 1.61 0.01 -1.26 -5.06 113.70 112.45 1sws s SER 69 Ca 0.00 1.43 -0.15 0.00 1.31 0.00 0.00 55.95 58.53 1sws s SER 69 Cb 0.00 -2.29 0.18 0.00 0.21 0.00 0.00 66.02 64.13 1sws s SER 69 CO 0.00 -1.46 1.27 -0.83 0.41 0.00 0.00 173.24 172.63 1sws s GLY 70 N -3.98 1.72 -0.31 3.44 0.00 -1.26 -4.83 107.32 102.09 1sws s GLY 70 Ca 0.58 -1.05 -0.09 0.00 0.00 0.00 0.00 44.72 44.16 1sws s GLY 70 CO 0.54 -0.33 0.14 -1.59 0.00 0.00 0.00 173.10 171.86 1sws s THR 71 N -3.73 4.46 0.31 0.90 2.01 -0.72 -4.75 115.64 114.12 1sws s THR 71 Ca 0.71 -0.53 -0.28 0.00 0.31 0.00 0.00 61.69 61.90 1sws s THR 71 Cb -0.06 -3.30 -0.10 0.00 0.01 0.00 0.00 72.50 69.05 1sws s THR 71 CO 0.53 0.04 1.14 0.00 -0.69 0.00 0.00 174.62 175.63 1sws s ALA 72 N 1.58 3.37 0.29 7.40 0.00 -1.26 -0.06 121.76 133.08 1sws s ALA 72 Ca 0.04 0.95 -0.15 0.00 0.00 0.00 0.00 51.96 52.80 1sws s ALA 72 Cb -0.17 -3.35 0.01 0.00 0.00 0.00 0.00 23.12 19.61 1sws s ALA 72 CO 0.05 -0.29 0.62 -0.48 0.00 0.00 0.00 175.76 175.67 1sws s LEU 73 N -1.70 0.12 0.06 0.00 -0.00 -0.34 -1.46 118.68 115.34 1sws s LEU 73 Ca 0.47 -0.89 -0.27 0.00 -0.00 0.00 0.00 54.13 53.44 1sws s LEU 73 Cb -0.32 2.27 0.07 0.00 -0.00 0.00 0.00 46.19 48.20 1sws s LEU 73 CO 0.42 -1.32 0.63 -0.83 -0.00 0.00 0.00 176.35 175.25 1sws s GLY 74 N -3.01 -0.59 0.19 -3.48 0.00 -0.73 -0.88 107.32 98.83 1sws s GLY 74 Ca 0.18 0.88 -0.12 0.00 0.00 0.00 0.00 44.72 45.66 1sws s GLY 74 CO 0.10 0.54 0.40 0.66 0.00 0.00 0.00 173.10 174.80 1sws s TRP 75 N -2.48 0.24 -0.01 1.90 -2.14 0.41 -2.07 118.94 114.79 1sws s TRP 75 Ca -0.05 -0.60 0.05 0.00 2.66 0.00 0.00 56.10 58.16 1sws s TRP 75 Cb -0.01 0.13 -0.01 0.00 -3.10 0.00 0.00 33.47 30.49 1sws s TRP 75 CO -0.02 -0.84 -0.15 0.99 -2.66 0.00 0.00 176.95 174.27 1sws s THR 76 N -3.95 1.20 -0.08 0.66 2.01 -0.29 0.03 115.64 115.22 1sws s THR 76 Ca 0.16 -0.65 -0.01 0.00 0.31 0.00 0.00 61.69 61.50 1sws s THR 76 Cb 0.01 -1.01 0.03 0.00 0.01 0.00 0.00 72.50 71.54 1sws s THR 76 CO 0.01 0.34 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.57 1sws s VAL 77 N -0.32 0.55 -0.21 3.82 1.01 -0.70 -1.90 120.40 122.66 1sws s VAL 77 Ca 0.05 0.01 -0.12 0.00 0.00 0.00 0.00 61.98 61.92 1sws s VAL 77 Cb -0.06 -0.67 -0.05 0.00 0.00 0.00 0.00 36.38 35.60 1sws s VAL 77 CO -0.00 0.29 0.21 0.00 0.00 0.00 0.00 175.10 175.60 1sws s ALA 78 N 1.86 3.62 -1.18 5.51 0.00 -1.26 -0.02 121.76 130.29 1sws s ALA 78 Ca 0.04 -0.70 -0.07 0.00 0.00 0.00 0.00 51.96 51.23 1sws s ALA 78 Cb -0.12 -2.34 -0.02 0.00 0.00 0.00 0.00 23.12 20.63 1sws s ALA 78 CO -0.06 -0.06 2.82 0.91 0.00 0.00 0.00 175.76 179.37 1sws n TRP 79 N 3.98 2.08 -4.03 0.00 7.02 0.35 -4.73 117.44 122.11 1sws n TRP 79 Ca -0.14 -2.66 -0.25 0.00 -1.02 0.00 0.00 57.50 53.44 1sws n TRP 79 Cb 0.52 -2.02 -0.17 0.00 -2.42 0.00 0.00 31.31 27.22 1sws n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1sws s LYS 80 N 0.38 1.25 0.16 -0.99 2.20 -1.26 -0.71 119.74 120.77 1sws s LYS 80 Ca 0.63 -0.18 0.01 0.00 -0.36 0.00 0.00 55.97 56.07 1sws s LYS 80 Cb 0.22 -1.31 -0.01 0.00 -1.51 0.00 0.00 37.83 35.23 1sws s LYS 80 CO -0.08 -0.20 0.05 0.27 -0.36 0.00 0.00 175.35 175.03 1sws n ASN 81 N 4.66 1.10 0.00 1.43 0.23 -0.72 -4.77 115.26 117.19 1sws n ASN 81 Ca -0.15 -1.82 0.12 0.00 -0.53 0.00 0.00 54.58 52.20 1sws n ASN 81 Cb 0.50 0.38 0.62 0.00 -2.08 0.00 0.00 39.78 39.20 1sws n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1sws n ASN 82 N -1.83 0.00 -0.06 0.53 4.13 -1.26 -3.51 115.26 113.26 1sws n ASN 82 Ca -0.02 -0.15 -0.04 0.00 1.68 0.00 0.00 54.58 56.05 1sws n ASN 82 Cb 0.23 -0.25 -0.12 0.00 -1.54 0.00 0.00 39.78 38.11 1sws n ASN 82 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1sws n TYR 83 N -1.25 0.00 -3.89 3.10 4.01 -1.26 -5.05 117.16 112.83 1sws n TYR 83 Ca 0.12 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.77 1sws n TYR 83 Cb 0.18 -0.64 -0.06 0.00 -0.31 0.00 0.00 39.34 38.51 1sws n TYR 83 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1sws s ARG 84 N -2.54 1.27 -0.14 -0.72 3.03 -1.23 -5.14 118.95 113.48 1sws s ARG 84 Ca -0.07 -1.07 -0.04 0.00 2.03 0.00 0.00 55.73 56.58 1sws s ARG 84 Cb 0.06 0.44 0.07 0.00 -1.03 0.00 0.00 34.95 34.48 1sws s ARG 84 CO 0.62 -0.50 0.19 1.21 -1.13 0.00 0.00 175.30 175.69 1sws s ASN 85 N -2.94 1.02 0.00 -2.89 3.84 -1.26 -1.76 114.94 110.95 1sws s ASN 85 Ca 0.15 0.12 0.25 0.00 0.21 0.00 0.00 52.86 53.58 1sws s ASN 85 Cb 0.01 0.33 0.52 0.00 -0.55 0.00 0.00 41.25 41.57 1sws s ASN 85 CO -0.00 -0.28 1.45 0.00 -2.79 0.00 0.00 177.10 175.48 1sws n ALA 86 N 5.32 2.49 -3.83 1.71 0.00 0.11 -4.95 120.51 121.36 1sws n ALA 86 Ca -0.05 -0.66 -0.26 0.00 0.00 0.00 0.00 53.44 52.47 1sws n ALA 86 Cb 0.50 -0.95 0.02 0.00 0.00 0.00 0.00 19.45 19.02 1sws n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1sws n HIS 87 N 0.95 -2.00 -3.80 0.00 8.25 -1.26 -4.84 115.22 112.52 1sws n HIS 87 Ca 0.17 0.85 -0.10 0.00 -0.26 0.00 0.00 57.72 58.37 1sws n HIS 87 Cb 0.51 -4.10 -0.07 0.00 1.12 0.00 0.00 29.99 27.45 1sws n HIS 87 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1sws s SER 88 N -3.96 -0.00 -0.10 0.41 0.01 -1.26 -0.66 113.70 108.14 1sws s SER 88 Ca 0.26 -0.45 -0.10 0.00 1.31 0.00 0.00 55.95 56.97 1sws s SER 88 Cb -0.13 0.36 0.03 0.00 0.21 0.00 0.00 66.02 66.48 1sws s SER 88 CO 0.83 -0.69 0.28 0.00 0.41 0.00 0.00 173.24 174.07 1sws s ALA 89 N -3.35 -0.70 -0.03 1.44 0.00 -0.63 -0.49 121.76 118.00 1sws s ALA 89 Ca 0.01 0.78 0.07 0.00 0.00 0.00 0.00 51.96 52.82 1sws s ALA 89 Cb 0.02 -0.45 -0.02 0.00 0.00 0.00 0.00 23.12 22.68 1sws s ALA 89 CO -0.08 -0.14 -0.25 0.99 0.00 0.00 0.00 175.76 176.28 1sws s THR 90 N 0.10 2.15 -0.06 0.00 2.01 0.97 -1.23 115.64 119.59 1sws s THR 90 Ca -0.00 -1.07 0.04 0.00 0.31 0.00 0.00 61.69 60.97 1sws s THR 90 Cb -0.02 -1.75 -0.02 0.00 0.01 0.00 0.00 72.50 70.72 1sws s THR 90 CO 0.00 0.58 -0.18 0.42 -0.69 0.00 0.00 174.62 174.75 1sws s THR 91 N -0.59 2.70 -0.15 -0.82 -4.23 -0.29 -1.72 115.64 110.55 1sws s THR 91 Ca 0.09 -0.84 -0.00 0.00 -1.18 0.00 0.00 61.69 59.76 1sws s THR 91 Cb -0.10 -2.04 -0.01 0.00 1.34 0.00 0.00 72.50 71.69 1sws s THR 91 CO -0.01 0.58 -0.14 0.26 -0.54 0.00 0.00 174.62 174.77 1sws s TRP 92 N -0.44 2.79 -0.12 3.99 0.51 0.10 -1.05 118.94 124.73 1sws s TRP 92 Ca 0.05 -0.94 0.02 0.00 -2.12 0.00 0.00 56.10 53.12 1sws s TRP 92 Cb -0.12 -1.89 -0.00 0.00 -0.81 0.00 0.00 33.47 30.65 1sws s TRP 92 CO 0.02 -0.41 -0.20 0.45 -0.51 0.00 0.00 176.95 176.29 1sws s SER 93 N 0.73 3.37 0.00 2.95 0.15 0.03 -0.44 113.70 120.49 1sws s SER 93 Ca -0.06 -0.51 0.00 0.00 0.70 0.00 0.00 55.95 56.08 1sws s SER 93 Cb -0.15 -1.48 0.00 0.00 -1.71 0.00 0.00 66.02 62.67 1sws s SER 93 CO 0.01 0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.20 1sws n GLY 94 N 3.72 1.81 3.15 9.45 0.00 -0.06 -1.08 105.19 122.18 1sws n GLY 94 Ca -0.19 -0.30 -0.12 0.00 0.00 0.00 0.00 46.02 45.41 1sws n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1sws s GLN 95 N 2.22 0.55 -0.11 1.61 -2.07 -1.01 -1.20 119.66 119.65 1sws s GLN 95 Ca 0.00 -0.36 -0.17 0.00 -1.82 0.00 0.00 55.36 53.01 1sws s GLN 95 Cb 0.00 0.23 -0.04 0.00 -1.09 0.00 0.00 33.01 32.11 1sws s GLN 95 CO 0.00 -0.14 0.43 -0.47 -1.32 0.00 0.00 175.29 173.79 1sws s TYR 96 N -1.45 3.53 -0.27 9.60 5.04 0.91 -2.52 117.35 132.20 1sws s TYR 96 Ca -0.14 0.84 0.02 0.00 -2.44 0.00 0.00 57.07 55.35 1sws s TYR 96 Cb -0.07 -2.48 0.06 0.00 0.35 0.00 0.00 41.96 39.82 1sws s TYR 96 CO 0.02 0.24 -0.09 0.08 -1.34 0.00 0.00 175.55 174.47 1sws s VAL 97 N 0.38 2.37 0.00 3.14 1.01 0.70 -1.76 120.40 126.23 1sws s VAL 97 Ca 0.24 -1.56 0.00 0.00 0.00 0.00 0.00 61.98 60.66 1sws s VAL 97 Cb -0.15 -2.38 0.00 0.00 0.00 0.00 0.00 36.38 33.85 1sws s VAL 97 CO 0.09 -0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.77 1sws n GLY 98 N 4.48 -2.51 0.67 4.51 0.00 -1.26 -0.72 105.19 110.36 1sws n GLY 98 Ca -0.14 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 44.70 1sws n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sws n GLY 99 N 1.06 -1.73 1.04 -0.02 0.00 -1.26 -3.73 105.19 100.55 1sws n GLY 99 Ca 0.00 -1.99 0.10 0.00 0.00 0.00 0.00 46.02 44.13 1sws n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sws n ALA 100 N 0.03 2.43 -2.50 4.61 0.00 -1.26 -3.80 120.51 120.01 1sws n ALA 100 Ca 0.00 -0.96 -0.18 0.00 0.00 0.00 0.00 53.44 52.30 1sws n ALA 100 Cb 0.00 -0.95 0.02 0.00 0.00 0.00 0.00 19.45 18.52 1sws n ALA 100 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1sws n GLU 101 N 1.18 2.59 -1.72 0.00 2.13 -1.26 -5.11 120.64 118.46 1sws n GLU 101 Ca 0.19 -3.97 -0.42 0.00 0.66 0.00 0.00 57.16 53.62 1sws n GLU 101 Cb 0.51 -1.88 -0.03 0.00 0.27 0.00 0.00 31.44 30.31 1sws n GLU 101 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1sws n ALA 102 N -0.40 2.73 -2.86 4.31 0.00 -1.24 -4.93 120.51 118.12 1sws n ALA 102 Ca 0.27 0.40 -0.10 0.00 0.00 0.00 0.00 53.44 54.02 1sws n ALA 102 Cb 0.77 -2.51 -0.06 0.00 0.00 0.00 0.00 19.45 17.66 1sws n ALA 102 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1sws s ARG 103 N 0.80 1.10 -0.20 0.00 1.70 0.10 -4.01 118.95 118.45 1sws s ARG 103 Ca 0.73 -0.95 0.01 0.00 -0.47 0.00 0.00 55.73 55.05 1sws s ARG 103 Cb -0.51 0.42 0.04 0.00 -0.57 0.00 0.00 34.95 34.33 1sws s ARG 103 CO 0.36 -0.41 -0.13 0.42 -1.08 0.00 0.00 175.30 174.45 1sws s ILE 104 N -3.88 1.83 -0.27 4.99 1.01 -0.49 -0.22 121.20 124.16 1sws s ILE 104 Ca 0.09 -1.05 -0.16 0.00 0.00 0.00 0.00 60.65 59.53 1sws s ILE 104 Cb 0.02 -1.82 -0.03 0.00 0.01 0.00 0.00 42.46 40.64 1sws s ILE 104 CO -0.06 0.26 0.43 0.20 0.00 0.00 0.00 174.94 175.77 1sws s ASN 105 N 1.33 6.32 0.21 3.58 0.01 -1.05 -0.13 114.94 125.22 1sws s ASN 105 Ca -0.00 0.37 0.07 0.00 -0.71 0.00 0.00 52.86 52.59 1sws s ASN 105 Cb -0.16 -2.24 -0.05 0.00 0.41 0.00 0.00 41.25 39.22 1sws s ASN 105 CO -0.09 -0.23 -0.12 0.42 -1.51 0.00 0.00 177.10 175.57 1sws s THR 106 N 2.17 1.65 0.14 1.60 -4.23 0.12 -2.41 115.64 114.68 1sws s THR 106 Ca 0.17 -2.18 0.09 0.00 -1.18 0.00 0.00 61.69 58.59 1sws s THR 106 Cb -0.16 -2.11 -0.04 0.00 1.34 0.00 0.00 72.50 71.53 1sws s THR 106 CO 0.10 -0.55 -0.13 -1.10 -0.54 0.00 0.00 174.62 172.40 1sws s GLN 107 N -3.68 1.96 0.10 3.99 -0.21 -0.24 -1.16 119.66 120.42 1sws s GLN 107 Ca 0.23 -1.18 0.02 0.00 0.02 0.00 0.00 55.36 54.45 1sws s GLN 107 Cb 0.01 -2.17 -0.04 0.00 1.00 0.00 0.00 33.01 31.81 1sws s GLN 107 CO 0.07 0.47 -0.07 1.67 -2.12 0.00 0.00 175.29 175.31 1sws s TRP 108 N -1.38 0.94 -0.07 0.91 1.48 -0.22 -0.78 118.94 119.81 1sws s TRP 108 Ca 0.21 -0.83 0.03 0.00 -1.06 0.00 0.00 56.10 54.46 1sws s TRP 108 Cb -0.10 -0.53 0.00 0.00 -1.16 0.00 0.00 33.47 31.69 1sws s TRP 108 CO 0.13 -0.10 -0.17 -0.51 -4.06 0.00 0.00 176.95 172.24 1sws s LEU 109 N -2.87 1.84 -0.19 -4.66 1.43 -0.21 -2.16 118.68 111.86 1sws s LEU 109 Ca 0.10 -0.38 0.01 0.00 -1.03 0.00 0.00 54.13 52.83 1sws s LEU 109 Cb 0.03 -1.01 0.03 0.00 0.03 0.00 0.00 46.19 45.26 1sws s LEU 109 CO -0.03 0.11 -0.18 -0.22 0.23 0.00 0.00 176.35 176.25 1sws s LEU 110 N 0.36 2.35 -0.16 1.79 2.96 0.41 -1.13 118.68 125.26 1sws s LEU 110 Ca -0.12 -0.77 -0.02 0.00 -0.22 0.00 0.00 54.13 53.01 1sws s LEU 110 Cb -0.15 -1.49 -0.01 0.00 0.50 0.00 0.00 46.19 45.04 1sws s LEU 110 CO 0.04 -0.03 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.06 1sws s THR 111 N 1.26 3.23 -0.09 3.68 2.01 -0.36 -0.53 115.64 124.84 1sws s THR 111 Ca 0.03 -0.58 -0.05 0.00 0.31 0.00 0.00 61.69 61.40 1sws s THR 111 Cb -0.14 -2.40 -0.04 0.00 0.01 0.00 0.00 72.50 69.93 1sws s THR 111 CO -0.12 0.49 0.11 -0.44 -0.69 0.00 0.00 174.62 173.98 1sws s SER 112 N 0.68 6.08 0.14 3.53 0.01 -1.02 -1.61 113.70 121.51 1sws s SER 112 Ca -0.05 0.35 -0.31 0.00 1.31 0.00 0.00 55.95 57.25 1sws s SER 112 Cb -0.15 -1.89 -0.10 0.00 0.21 0.00 0.00 66.02 64.09 1sws s SER 112 CO 0.02 0.37 1.64 -0.83 0.41 0.00 0.00 173.24 174.85 1sws s GLY 113 N -1.20 1.49 0.12 3.44 0.00 0.17 -4.85 107.32 106.50 1sws s GLY 113 Ca 0.17 1.36 -0.01 0.00 0.00 0.00 0.00 44.72 46.24 1sws s GLY 113 CO 0.07 2.79 0.05 -0.51 0.00 0.00 0.00 173.10 175.50 1sws s THR 114 N 1.73 0.11 0.76 0.90 -4.23 -1.26 -5.02 115.64 108.63 1sws s THR 114 Ca 0.73 -1.88 -0.12 0.00 -1.18 0.00 0.00 61.69 59.24 1sws s THR 114 Cb -0.44 -1.98 0.05 0.00 1.34 0.00 0.00 72.50 71.48 1sws s THR 114 CO 0.32 -0.52 1.11 0.42 -0.54 0.00 0.00 174.62 175.41 1sws s THR 115 N -4.03 3.12 0.36 3.99 -4.23 -1.26 -4.86 115.64 108.73 1sws s THR 115 Ca 0.22 0.41 0.18 0.00 -1.18 0.00 0.00 61.69 61.32 1sws s THR 115 Cb 0.07 -2.86 0.16 0.00 1.34 0.00 0.00 72.50 71.21 1sws s THR 115 CO 0.00 -0.43 1.90 -0.33 -0.54 0.00 0.00 174.62 175.22 1sws h GLU 116 N -0.88 0.00 0.00 3.99 3.07 -2.01 -0.86 114.58 117.89 1sws h GLU 116 Ca -0.44 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.37 1sws h GLU 116 Cb 1.24 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.15 1sws h GLU 116 CO 0.51 0.28 -0.21 0.00 -1.40 0.00 0.00 179.01 178.19 1sws h ALA 117 N 1.72 1.36 -0.38 3.43 0.00 -2.07 -2.80 119.26 120.52 1sws h ALA 117 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1sws h ALA 117 Cb 0.57 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1sws h ALA 117 CO 0.04 0.26 0.00 0.09 0.00 0.00 0.00 179.25 179.64 1sws n ASN 118 N -3.86 3.12 -0.25 0.00 3.02 -0.38 -4.62 115.26 112.29 1sws n ASN 118 Ca -0.02 -1.91 0.05 0.00 -0.03 0.00 0.00 54.58 52.67 1sws n ASN 118 Cb 0.30 -0.25 0.18 0.00 -0.61 0.00 0.00 39.78 39.40 1sws n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sws h ALA 119 N 3.19 0.99 -0.62 5.41 0.00 -1.14 0.04 119.26 127.13 1sws h ALA 119 Ca 0.00 0.13 0.18 0.00 0.00 0.00 0.00 54.91 55.22 1sws h ALA 119 Cb 0.81 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1sws h ALA 119 CO 0.00 -0.25 0.54 0.11 0.00 0.00 0.00 179.25 179.65 1sws h TRP 120 N 0.38 0.00 -0.45 0.00 5.08 -1.82 0.36 115.95 119.49 1sws h TRP 120 Ca 0.40 0.00 -0.28 0.00 1.08 0.00 0.00 58.89 60.09 1sws h TRP 120 Cb 0.63 0.00 -0.18 0.00 -3.00 0.00 0.00 29.16 26.61 1sws h TRP 120 CO -0.20 0.00 -0.18 0.36 -1.28 0.00 0.00 178.44 177.14 1sws n LYS 121 N -3.96 2.22 0.18 0.12 2.85 -0.00 -4.64 118.16 114.92 1sws n LYS 121 Ca 0.12 -3.40 0.07 0.00 -1.05 0.00 0.00 58.31 54.05 1sws n LYS 121 Cb 0.78 -1.93 0.16 0.00 -0.65 0.00 0.00 35.03 33.39 1sws n LYS 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1sws h SER 122 N 1.31 0.00 -3.21 -5.58 4.64 -0.92 -3.46 113.55 106.33 1sws h SER 122 Ca 0.27 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 61.02 1sws h SER 122 Cb 1.51 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 63.23 1sws h SER 122 CO 0.53 0.31 -0.81 -0.89 -0.87 0.00 0.00 176.83 175.10 1sws s THR 123 N -3.18 1.28 0.22 2.95 2.01 -1.26 -2.43 115.64 115.23 1sws s THR 123 Ca 0.04 -0.54 -0.07 0.00 0.31 0.00 0.00 61.69 61.43 1sws s THR 123 Cb 0.07 -1.30 -0.06 0.00 0.01 0.00 0.00 72.50 71.22 1sws s THR 123 CO 0.70 0.33 0.50 -0.76 -0.69 0.00 0.00 174.62 174.71 1sws s LEU 124 N 1.59 4.17 0.04 4.42 1.43 0.31 -4.91 118.68 125.73 1sws s LEU 124 Ca 0.04 0.78 0.05 0.00 -1.03 0.00 0.00 54.13 53.97 1sws s LEU 124 Cb -0.13 -3.55 -0.02 0.00 0.03 0.00 0.00 46.19 42.51 1sws s LEU 124 CO -0.09 -0.07 -0.15 0.54 0.23 0.00 0.00 176.35 176.81 1sws s VAL 125 N -1.84 1.18 0.34 -1.59 0.11 -1.26 -0.44 120.40 116.90 1sws s VAL 125 Ca 0.45 -1.00 -0.14 0.00 -2.93 0.00 0.00 61.98 58.36 1sws s VAL 125 Cb -0.11 -1.05 0.06 0.00 -1.53 0.00 0.00 36.38 33.74 1sws s VAL 125 CO 0.24 0.05 0.74 0.61 -3.33 0.00 0.00 175.10 173.40 1sws n GLY 126 N 1.94 1.04 3.16 6.54 0.00 -0.92 -5.01 105.19 111.95 1sws n GLY 126 Ca -0.18 -1.23 -0.11 0.00 0.00 0.00 0.00 46.02 44.51 1sws n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1sws s HIS 127 N -2.78 0.86 -0.26 1.61 -3.43 -1.26 -1.05 115.29 108.98 1sws s HIS 127 Ca 0.15 -0.88 -0.23 0.00 -0.80 0.00 0.00 55.06 53.30 1sws s HIS 127 Cb -0.04 -0.50 0.07 0.00 -1.43 0.00 0.00 32.58 30.67 1sws s HIS 127 CO 0.10 -0.15 0.68 0.00 -2.00 0.00 0.00 174.74 173.37 1sws s ALA 128 N -3.41 -1.68 -0.07 -1.38 0.00 -0.31 -4.92 121.76 109.98 1sws s ALA 128 Ca 0.10 1.94 0.01 0.00 0.00 0.00 0.00 51.96 54.00 1sws s ALA 128 Cb 0.04 -1.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.00 1sws s ALA 128 CO -0.04 -0.32 -0.08 0.99 0.00 0.00 0.00 175.76 176.30 1sws s THR 129 N 0.42 3.57 0.08 0.00 2.01 -1.26 -0.70 115.64 119.76 1sws s THR 129 Ca -0.01 -0.53 0.09 0.00 0.31 0.00 0.00 61.69 61.55 1sws s THR 129 Cb -0.05 -2.45 -0.03 0.00 0.01 0.00 0.00 72.50 69.98 1sws s THR 129 CO -0.00 0.59 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.93 1sws s PHE 130 N -0.74 2.00 0.01 4.92 0.40 0.81 -4.09 117.98 121.30 1sws s PHE 130 Ca 0.11 -0.39 0.04 0.00 -0.60 0.00 0.00 56.93 56.09 1sws s PHE 130 Cb -0.11 -1.14 -0.02 0.00 0.51 0.00 0.00 43.02 42.26 1sws s PHE 130 CO 0.01 0.18 -0.14 0.99 0.70 0.00 0.00 175.22 176.96 1sws s THR 131 N -0.95 1.08 -2.00 0.64 2.01 0.29 -1.40 115.64 115.31 1sws s THR 131 Ca 0.09 -0.78 0.14 0.00 0.31 0.00 0.00 61.69 61.46 1sws s THR 131 Cb -0.10 -0.94 0.39 0.00 0.01 0.00 0.00 72.50 71.87 1sws s THR 131 CO 0.03 0.16 1.25 1.17 -0.69 0.00 0.00 174.62 176.54