#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1swd h ILE 17 N 0.00 1.27 -2.60 -0.61 2.04 -1.99 -3.44 117.51 112.18 1swd h ILE 17 Ca 0.00 -1.94 -0.57 0.00 1.00 0.00 0.00 64.86 63.35 1swd h ILE 17 Cb 0.00 1.94 0.07 0.00 -0.74 0.00 0.00 36.82 38.09 1swd h ILE 17 CO 0.00 0.62 0.78 0.41 0.00 0.00 0.00 178.15 179.96 1swd n THR 18 N -3.95 0.47 -1.63 -0.27 -1.04 -1.26 -4.80 114.28 101.80 1swd n THR 18 Ca -0.07 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 1swd n THR 18 Cb 0.74 -1.63 0.00 0.00 -1.82 0.00 0.00 70.33 67.61 1swd n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1swd n GLY 19 N 2.88 -0.44 3.71 3.41 0.00 0.46 -4.99 105.19 110.21 1swd n GLY 19 Ca 0.14 -1.57 -0.35 0.00 0.00 0.00 0.00 46.02 44.24 1swd n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swd s THR 20 N -2.30 5.22 0.10 2.61 2.01 -1.26 -1.14 115.64 120.88 1swd s THR 20 Ca 0.00 0.12 0.06 0.00 0.31 0.00 0.00 61.69 62.18 1swd s THR 20 Cb 0.00 -3.37 -0.03 0.00 0.01 0.00 0.00 72.50 69.11 1swd s THR 20 CO 0.00 0.45 -0.15 0.26 -0.69 0.00 0.00 174.62 174.50 1swd s TRP 21 N 0.30 1.35 0.08 4.92 0.52 0.27 -4.51 118.94 121.87 1swd s TRP 21 Ca 0.07 -0.51 0.06 0.00 0.02 0.00 0.00 56.10 55.74 1swd s TRP 21 Cb -0.11 -0.73 -0.03 0.00 -1.15 0.00 0.00 33.47 31.44 1swd s TRP 21 CO -0.01 0.11 -0.16 0.71 0.02 0.00 0.00 176.95 177.62 1swd s TYR 22 N -1.71 1.40 0.47 -1.98 1.51 -0.13 0.18 117.35 117.08 1swd s TYR 22 Ca 0.04 -0.45 0.04 0.00 -1.01 0.00 0.00 57.07 55.69 1swd s TYR 22 Cb -0.07 -0.78 0.04 0.00 -0.11 0.00 0.00 41.96 41.04 1swd s TYR 22 CO 0.03 0.11 0.35 0.27 -1.11 0.00 0.00 175.55 175.19 1swd n ASN 23 N 1.19 2.51 0.01 2.29 0.23 0.38 0.20 115.26 122.07 1swd n ASN 23 Ca -0.20 -2.62 0.03 0.00 -0.53 0.00 0.00 54.58 51.26 1swd n ASN 23 Cb 0.54 -0.03 0.15 0.00 -2.08 0.00 0.00 39.78 38.36 1swd n ASN 23 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1swd n GLN 24 N -1.60 0.02 0.00 -3.83 0.00 -1.22 -1.49 117.38 109.26 1swd n GLN 24 Ca -0.02 0.42 0.11 0.00 0.00 0.00 0.00 57.00 57.52 1swd n GLN 24 Cb 0.54 -1.54 0.10 0.00 0.00 0.00 0.00 30.24 29.33 1swd n GLN 24 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1swd n LEU 25 N -1.57 0.79 0.00 2.61 4.77 -1.26 -4.92 117.00 117.42 1swd n LEU 25 Ca 0.01 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 1swd n LEU 25 Cb 0.07 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1swd n LEU 25 CO 0.06 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 1swd n GLY 26 N 1.49 0.49 3.84 -0.72 0.00 -0.56 -4.55 105.19 105.17 1swd n GLY 26 Ca 0.05 -0.92 -0.33 0.00 0.00 0.00 0.00 46.02 44.83 1swd n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swd s SER 27 N -2.87 6.85 -0.23 1.61 0.01 -1.25 -4.41 113.70 113.40 1swd s SER 27 Ca 0.00 1.43 -0.04 0.00 1.31 0.00 0.00 55.95 58.65 1swd s SER 27 Cb 0.00 -2.43 -0.00 0.00 0.21 0.00 0.00 66.02 63.79 1swd s SER 27 CO 0.00 -0.24 -0.03 -0.89 0.41 0.00 0.00 173.24 172.48 1swd s THR 28 N -2.02 3.37 -0.30 1.44 2.01 0.24 -0.47 115.64 119.91 1swd s THR 28 Ca 0.56 -0.58 -0.03 0.00 0.31 0.00 0.00 61.69 61.96 1swd s THR 28 Cb -0.10 -2.58 0.04 0.00 0.01 0.00 0.00 72.50 69.88 1swd s THR 28 CO 0.16 0.36 0.02 0.12 -0.69 0.00 0.00 174.62 174.59 1swd s PHE 29 N 1.46 3.24 -0.36 4.92 5.36 0.47 0.27 117.98 133.36 1swd s PHE 29 Ca 0.05 -1.75 -0.04 0.00 -0.96 0.00 0.00 56.93 54.23 1swd s PHE 29 Cb -0.15 -2.14 0.07 0.00 -0.34 0.00 0.00 43.02 40.46 1swd s PHE 29 CO -0.03 -0.78 0.12 0.42 -1.46 0.00 0.00 175.22 173.49 1swd s ILE 30 N 1.29 3.45 0.06 3.12 1.01 0.32 0.94 121.20 131.39 1swd s ILE 30 Ca -0.04 -1.51 0.07 0.00 0.00 0.00 0.00 60.65 59.17 1swd s ILE 30 Cb -0.19 -3.10 -0.03 0.00 0.01 0.00 0.00 42.46 39.15 1swd s ILE 30 CO -0.00 -0.35 -0.19 0.54 0.00 0.00 0.00 174.94 174.94 1swd s VAL 31 N 1.28 1.55 -0.12 2.92 0.11 -0.29 -0.63 120.40 125.22 1swd s VAL 31 Ca 0.01 -1.25 0.03 0.00 -2.93 0.00 0.00 61.98 57.83 1swd s VAL 31 Cb -0.21 -1.38 0.01 0.00 -1.53 0.00 0.00 36.38 33.27 1swd s VAL 31 CO -0.01 0.08 -0.23 -0.89 -3.33 0.00 0.00 175.10 170.73 1swd s THR 32 N -0.92 2.06 -0.25 5.04 2.01 0.31 -0.41 115.64 123.48 1swd s THR 32 Ca 0.06 -0.99 -0.16 0.00 0.31 0.00 0.00 61.69 60.90 1swd s THR 32 Cb -0.09 -1.80 -0.04 0.00 0.01 0.00 0.00 72.50 70.59 1swd s THR 32 CO 0.02 0.55 0.41 0.00 -0.69 0.00 0.00 174.62 174.91 1swd s ALA 33 N 0.61 3.57 0.83 7.40 0.00 -1.26 0.33 121.76 133.25 1swd s ALA 33 Ca -0.12 -0.71 -0.12 0.00 0.00 0.00 0.00 51.96 51.01 1swd s ALA 33 Cb -0.17 -2.73 0.09 0.00 0.00 0.00 0.00 23.12 20.32 1swd s ALA 33 CO 0.03 -0.60 1.11 0.20 0.00 0.00 0.00 175.76 176.51 1swd s GLY 34 N 1.49 1.61 0.44 0.00 0.00 0.50 -4.92 107.32 106.44 1swd s GLY 34 Ca 0.17 -0.34 0.24 0.00 0.00 0.00 0.00 44.72 44.79 1swd s GLY 34 CO 0.09 0.13 1.69 0.00 0.00 0.00 0.00 173.10 175.01 1swd h ALA 35 N -1.21 0.96 0.00 3.20 0.00 -1.99 -3.06 119.26 117.16 1swd h ALA 35 Ca -0.48 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.29 1swd h ALA 35 Cb 1.29 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1swd h ALA 35 CO 0.61 0.11 -0.66 0.38 0.00 0.00 0.00 179.25 179.69 1swd h ASP 36 N 0.00 0.00 0.00 0.00 3.04 -1.97 -3.48 116.42 114.02 1swd h ASP 36 Ca -0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1swd h ASP 36 Cb 0.92 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.21 1swd h ASP 36 CO 0.01 0.26 0.00 0.61 -2.04 0.00 0.00 179.24 178.09 1swd n GLY 37 N 1.21 1.32 3.82 7.15 0.00 -1.15 -4.89 105.19 112.65 1swd n GLY 37 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1swd n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swd s ALA 38 N -2.00 3.43 -0.15 4.61 0.00 -1.26 -1.28 121.76 125.11 1swd s ALA 38 Ca 0.00 0.14 -0.03 0.00 0.00 0.00 0.00 51.96 52.07 1swd s ALA 38 Cb 0.00 -2.79 -0.03 0.00 0.00 0.00 0.00 23.12 20.30 1swd s ALA 38 CO 0.00 0.34 -0.05 -0.51 0.00 0.00 0.00 175.76 175.54 1swd s LEU 39 N -1.97 3.19 0.04 0.00 1.02 -0.31 0.19 118.68 120.84 1swd s LEU 39 Ca 0.43 -0.14 0.00 0.00 0.02 0.00 0.00 54.13 54.44 1swd s LEU 39 Cb -0.16 -1.76 -0.03 0.00 0.02 0.00 0.00 46.19 44.26 1swd s LEU 39 CO 0.21 0.18 -0.04 0.42 0.02 0.00 0.00 176.35 177.13 1swd s THR 40 N 0.30 0.29 -4.91 5.49 -4.23 0.15 -1.02 115.64 111.72 1swd s THR 40 Ca -0.04 -1.29 0.00 0.00 -1.18 0.00 0.00 61.69 59.17 1swd s THR 40 Cb -0.14 -0.82 0.00 0.00 1.34 0.00 0.00 72.50 72.88 1swd s THR 40 CO 0.03 -0.65 0.00 0.61 -0.54 0.00 0.00 174.62 174.07 1swd n GLY 41 N 1.00 -0.70 2.93 3.99 0.00 -1.21 0.11 105.19 111.31 1swd n GLY 41 Ca -0.20 -1.14 -0.15 0.00 0.00 0.00 0.00 46.02 44.54 1swd n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1swd s THR 42 N -3.00 0.31 0.02 2.61 2.01 0.20 -1.52 115.64 116.26 1swd s THR 42 Ca 0.00 -0.16 0.08 0.00 0.31 0.00 0.00 61.69 61.92 1swd s THR 42 Cb 0.00 -0.27 -0.02 0.00 0.01 0.00 0.00 72.50 72.22 1swd s THR 42 CO 0.00 0.09 -0.23 -0.47 -0.69 0.00 0.00 174.62 173.32 1swd s TYR 43 N -0.05 2.07 -0.11 4.92 6.14 -0.54 0.12 117.35 129.89 1swd s TYR 43 Ca 0.01 -0.39 -0.02 0.00 0.64 0.00 0.00 57.07 57.31 1swd s TYR 43 Cb -0.02 -1.28 0.04 0.00 0.42 0.00 0.00 41.96 41.12 1swd s TYR 43 CO -0.00 0.05 -0.00 -2.00 0.64 0.00 0.00 175.55 174.24 1swd s GLU 44 N -0.93 0.78 0.17 4.97 2.12 0.14 -0.43 118.70 125.52 1swd s GLU 44 Ca 0.09 -0.11 -0.07 0.00 0.36 0.00 0.00 54.97 55.24 1swd s GLU 44 Cb -0.09 -1.41 -0.06 0.00 0.26 0.00 0.00 34.13 32.83 1swd s GLU 44 CO 0.01 -0.40 0.45 0.45 -0.54 0.00 0.00 175.26 175.23 1swd s SER 45 N 1.89 6.57 0.35 -1.70 0.15 -1.26 -0.60 113.70 119.10 1swd s SER 45 Ca 0.03 0.75 0.21 0.00 0.70 0.00 0.00 55.95 57.64 1swd s SER 45 Cb -0.14 -2.16 0.20 0.00 -1.71 0.00 0.00 66.02 62.22 1swd s SER 45 CO -0.06 0.02 1.44 0.00 1.20 0.00 0.00 173.24 175.84 1swd h ALA 46 N 2.85 0.83 -1.92 5.45 0.00 -1.80 -3.44 119.26 121.22 1swd h ALA 46 Ca -0.47 -0.14 -0.54 0.00 0.00 0.00 0.00 54.91 53.76 1swd h ALA 46 Cb 1.17 -0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.82 1swd h ALA 46 CO 0.70 0.18 -0.63 0.14 0.00 0.00 0.00 179.25 179.64 1swd s VAL 47 N -3.17 1.67 0.00 0.00 -7.23 -1.26 -5.05 120.40 105.37 1swd s VAL 47 Ca 0.05 -2.06 0.00 0.00 -1.81 0.00 0.00 61.98 58.16 1swd s VAL 47 Cb 0.06 -2.74 0.00 0.00 0.56 0.00 0.00 36.38 34.26 1swd s VAL 47 CO 0.71 -0.11 0.00 0.61 -0.31 0.00 0.00 175.10 176.01 1swd n GLY 48 N -0.75 -1.31 3.31 2.32 0.00 -1.26 -4.41 105.19 103.08 1swd n GLY 48 Ca -0.04 -1.24 -0.43 0.00 0.00 0.00 0.00 46.02 44.31 1swd n GLY 48 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1swd n ASN 49 N -0.52 4.90 -3.63 1.61 2.85 -1.26 -4.82 115.26 114.38 1swd n ASN 49 Ca 0.00 -2.96 -0.14 0.00 -0.11 0.00 0.00 54.58 51.37 1swd n ASN 49 Cb 0.00 -1.63 -0.07 0.00 1.24 0.00 0.00 39.78 39.31 1swd n ASN 49 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1swd s ALA 50 N 2.58 -1.68 -0.10 5.20 0.00 -1.26 -4.59 121.76 121.91 1swd s ALA 50 Ca 0.47 1.83 -0.16 0.00 0.00 0.00 0.00 51.96 54.10 1swd s ALA 50 Cb 0.04 -0.97 0.04 0.00 0.00 0.00 0.00 23.12 22.22 1swd s ALA 50 CO 0.02 -0.33 0.41 -1.83 0.00 0.00 0.00 175.76 174.03 1swd s GLU 51 N 0.16 0.61 0.28 0.00 -1.05 -1.26 -4.87 118.70 112.57 1swd s GLU 51 Ca -0.01 0.31 0.00 0.00 -0.15 0.00 0.00 54.97 55.12 1swd s GLU 51 Cb -0.04 0.28 0.00 0.00 -0.44 0.00 0.00 34.13 33.93 1swd s GLU 51 CO 0.02 -0.12 0.00 0.45 0.95 0.00 0.00 175.26 176.56 1swd n SER 52 N 2.16 -7.10 -4.82 0.83 2.88 -1.26 -4.81 113.62 101.50 1swd n SER 52 Ca -0.16 1.29 -0.33 0.00 -1.33 0.00 0.00 58.87 58.33 1swd n SER 52 Cb 0.57 -3.61 -0.07 0.00 -0.75 0.00 0.00 64.21 60.35 1swd n SER 52 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1swd s ARG 53 N -2.01 4.19 0.13 -1.46 0.52 -1.26 -4.65 118.95 114.42 1swd s ARG 53 Ca 0.00 1.08 0.09 0.00 -0.52 0.00 0.00 55.73 56.38 1swd s ARG 53 Cb 0.00 -2.20 -0.04 0.00 0.52 0.00 0.00 34.95 33.24 1swd s ARG 53 CO 0.00 -0.03 -0.21 0.71 0.02 0.00 0.00 175.30 175.78 1swd s TYR 54 N -2.20 1.92 0.26 -0.53 1.51 0.43 -4.86 117.35 113.88 1swd s TYR 54 Ca 0.61 -0.42 -0.30 0.00 -1.01 0.00 0.00 57.07 55.96 1swd s TYR 54 Cb -0.09 -1.02 -0.09 0.00 -0.11 0.00 0.00 41.96 40.65 1swd s TYR 54 CO 0.15 0.29 1.10 0.08 -1.11 0.00 0.00 175.55 176.05 1swd s VAL 55 N -1.43 3.56 0.18 0.71 1.01 -1.26 -1.47 120.40 121.70 1swd s VAL 55 Ca 0.11 1.52 0.09 0.00 0.00 0.00 0.00 61.98 63.70 1swd s VAL 55 Cb -0.09 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.28 1swd s VAL 55 CO 0.06 0.34 -0.18 -1.48 0.00 0.00 0.00 175.10 173.84 1swd s LEU 56 N -1.21 2.46 -0.01 3.92 0.05 -0.58 -4.30 118.68 119.02 1swd s LEU 56 Ca 0.46 -0.89 -0.10 0.00 0.05 0.00 0.00 54.13 53.65 1swd s LEU 56 Cb -0.31 -0.83 0.01 0.00 -2.05 0.00 0.00 46.19 43.01 1swd s LEU 56 CO 0.40 -0.05 0.21 0.28 -0.55 0.00 0.00 176.35 176.64 1swd s THR 57 N -2.18 0.07 0.00 5.48 -1.32 -0.74 -3.35 115.64 113.60 1swd s THR 57 Ca 0.17 -0.56 -0.00 0.00 -1.21 0.00 0.00 61.69 60.09 1swd s THR 57 Cb -0.05 -0.49 0.00 0.00 -1.51 0.00 0.00 72.50 70.45 1swd s THR 57 CO 0.07 -0.31 0.00 0.61 -2.21 0.00 0.00 174.62 172.78 1swd n GLY 58 N 1.50 2.20 3.05 6.08 0.00 -0.18 -1.45 105.19 116.39 1swd n GLY 58 Ca -0.22 -1.08 -0.10 0.00 0.00 0.00 0.00 46.02 44.62 1swd n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1swd s ARG 59 N -2.00 0.50 0.08 1.61 1.81 -0.24 -1.16 118.95 119.55 1swd s ARG 59 Ca 0.00 -0.85 -0.03 0.00 -1.72 0.00 0.00 55.73 53.13 1swd s ARG 59 Cb -0.00 -0.06 -0.03 0.00 -0.45 0.00 0.00 34.95 34.41 1swd s ARG 59 CO 0.00 -0.02 0.06 1.52 -0.68 0.00 0.00 175.30 176.18 1swd s TYR 60 N -2.07 0.49 -0.20 -0.53 1.13 -0.41 -1.16 117.35 114.60 1swd s TYR 60 Ca -0.07 -0.97 -0.29 0.00 -1.41 0.00 0.00 57.07 54.33 1swd s TYR 60 Cb -0.05 -0.31 -0.01 0.00 -1.10 0.00 0.00 41.96 40.49 1swd s TYR 60 CO -0.02 -0.46 1.28 0.34 -2.51 0.00 0.00 175.55 174.18 1swd s ASP 61 N -2.93 6.86 0.00 -0.18 2.15 -0.32 -4.65 116.67 117.60 1swd s ASP 61 Ca 0.10 1.58 0.20 0.00 0.43 0.00 0.00 52.55 54.86 1swd s ASP 61 Cb 0.07 -2.54 0.53 0.00 -0.30 0.00 0.00 42.92 40.68 1swd s ASP 61 CO -0.08 -0.85 1.44 -1.54 -0.17 0.00 0.00 175.17 173.97 1swd n SER 62 N 6.90 2.95 -2.95 -0.34 3.41 -1.26 -4.10 113.62 118.24 1swd n SER 62 Ca 0.14 -1.95 -0.15 0.00 -0.26 0.00 0.00 58.87 56.66 1swd n SER 62 Cb 0.45 -0.30 0.01 0.00 -0.26 0.00 0.00 64.21 64.11 1swd n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1swd n ALA 63 N 1.13 0.39 -0.92 7.33 0.00 -1.26 -5.02 120.51 122.16 1swd n ALA 63 Ca 0.19 -2.33 -0.30 0.00 0.00 0.00 0.00 53.44 51.00 1swd n ALA 63 Cb 0.49 -1.08 0.15 0.00 0.00 0.00 0.00 19.45 19.01 1swd n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1swd s PRO 64 N -0.43 1.13 1.01 0.00 0.04 -1.26 -5.00 135.00 130.49 1swd s PRO 64 Ca 0.32 1.22 -0.23 0.00 0.04 0.00 0.00 61.00 62.35 1swd s PRO 64 Cb 0.24 -1.76 -0.15 0.00 0.04 0.00 0.00 34.50 32.87 1swd s PRO 64 CO -0.15 -2.45 -1.13 0.00 0.04 0.00 0.00 177.00 173.32 1swd n ALA 65 N -4.07 -5.47 0.51 8.56 0.00 -1.26 -4.97 120.51 113.80 1swd n ALA 65 Ca 0.09 -1.14 0.06 0.00 0.00 0.00 0.00 53.44 52.45 1swd n ALA 65 Cb 0.53 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 18.98 1swd n ALA 65 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1swd n THR 66 N -3.27 0.00 1.13 0.00 -1.04 -1.26 -4.64 114.28 105.20 1swd n THR 66 Ca -0.01 -0.38 0.03 0.00 -2.04 0.00 0.00 64.05 61.65 1swd n THR 66 Cb 0.68 1.13 0.10 0.00 -1.82 0.00 0.00 70.33 70.42 1swd n THR 66 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1swd n ASP 67 N -0.25 1.42 -0.10 8.00 5.68 -1.26 -4.79 116.55 125.25 1swd n ASP 67 Ca 0.05 -2.05 -0.01 0.00 -0.50 0.00 0.00 54.79 52.28 1swd n ASP 67 Cb 0.24 -0.22 -0.00 0.00 -1.14 0.00 0.00 41.12 39.99 1swd n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1swd n GLY 68 N 0.75 0.45 3.84 6.12 0.00 -1.26 -5.02 105.19 110.07 1swd n GLY 68 Ca 0.08 -1.01 -0.32 0.00 0.00 0.00 0.00 46.02 44.77 1swd n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1swd s SER 69 N -2.98 6.62 0.88 1.61 0.01 -1.26 -5.06 113.70 113.52 1swd s SER 69 Ca 0.00 1.54 -0.12 0.00 1.31 0.00 0.00 55.95 58.68 1swd s SER 69 Cb 0.00 -2.50 0.12 0.00 0.21 0.00 0.00 66.02 63.85 1swd s SER 69 CO 0.00 -0.57 1.13 -0.83 0.41 0.00 0.00 173.24 173.38 1swd s GLY 70 N -3.06 1.59 -0.43 3.44 0.00 -1.26 -4.81 107.32 102.79 1swd s GLY 70 Ca 0.58 -0.45 -0.19 0.00 0.00 0.00 0.00 44.72 44.67 1swd s GLY 70 CO 0.31 0.08 0.52 -1.59 0.00 0.00 0.00 173.10 172.42 1swd s THR 71 N -3.25 4.98 0.47 0.90 2.01 0.72 -4.80 115.64 116.66 1swd s THR 71 Ca 0.63 -0.15 -0.24 0.00 0.31 0.00 0.00 61.69 62.24 1swd s THR 71 Cb -0.15 -4.11 -0.07 0.00 0.01 0.00 0.00 72.50 68.18 1swd s THR 71 CO 0.53 -0.50 1.36 0.00 -0.69 0.00 0.00 174.62 175.33 1swd s ALA 72 N 2.42 3.11 0.03 7.40 0.00 -1.26 0.12 121.76 133.59 1swd s ALA 72 Ca 0.17 1.34 -0.28 0.00 0.00 0.00 0.00 51.96 53.18 1swd s ALA 72 Cb -0.16 -3.55 0.09 0.00 0.00 0.00 0.00 23.12 19.51 1swd s ALA 72 CO 0.16 -1.12 0.98 -0.48 0.00 0.00 0.00 175.76 175.30 1swd s LEU 73 N -2.89 -0.25 -0.06 0.00 2.34 0.47 -1.18 118.68 117.11 1swd s LEU 73 Ca 0.63 -0.16 -0.29 0.00 0.06 0.00 0.00 54.13 54.37 1swd s LEU 73 Cb -0.40 1.95 0.10 0.00 -0.56 0.00 0.00 46.19 47.28 1swd s LEU 73 CO 0.51 -0.66 0.86 -0.83 -1.06 0.00 0.00 176.35 175.17 1swd s GLY 74 N -2.67 -0.42 0.21 -3.48 0.00 -0.31 0.43 107.32 101.07 1swd s GLY 74 Ca 0.09 1.44 -0.19 0.00 0.00 0.00 0.00 44.72 46.06 1swd s GLY 74 CO -0.04 0.73 0.58 0.66 0.00 0.00 0.00 173.10 175.03 1swd s TRP 75 N -1.96 -0.19 -0.02 1.90 -2.14 -0.66 -1.08 118.94 114.80 1swd s TRP 75 Ca -0.01 -0.16 0.03 0.00 2.66 0.00 0.00 56.10 58.62 1swd s TRP 75 Cb -0.01 0.49 -0.00 0.00 -3.10 0.00 0.00 33.47 30.85 1swd s TRP 75 CO -0.01 -0.98 -0.11 0.99 -2.66 0.00 0.00 176.95 174.17 1swd s THR 76 N -3.87 0.93 -0.25 0.66 2.01 -0.53 0.25 115.64 114.84 1swd s THR 76 Ca 0.09 -0.48 0.02 0.00 0.31 0.00 0.00 61.69 61.63 1swd s THR 76 Cb -0.02 -0.79 0.06 0.00 0.01 0.00 0.00 72.50 71.75 1swd s THR 76 CO -0.02 0.27 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.41 1swd s VAL 77 N -0.10 1.92 -0.12 3.82 1.01 -0.76 -1.78 120.40 124.39 1swd s VAL 77 Ca 0.01 -1.48 -0.30 0.00 0.00 0.00 0.00 61.98 60.22 1swd s VAL 77 Cb -0.06 -2.09 -0.01 0.00 0.00 0.00 0.00 36.38 34.21 1swd s VAL 77 CO 0.00 -0.06 1.05 0.00 0.00 0.00 0.00 175.10 176.09 1swd s ALA 78 N 1.22 3.47 -0.85 5.51 0.00 -1.26 -1.28 121.76 128.56 1swd s ALA 78 Ca -0.08 0.39 -0.07 0.00 0.00 0.00 0.00 51.96 52.20 1swd s ALA 78 Cb -0.20 -3.47 -0.14 0.00 0.00 0.00 0.00 23.12 19.31 1swd s ALA 78 CO -0.05 -0.71 2.95 0.91 0.00 0.00 0.00 175.76 178.86 1swd n TRP 79 N 5.27 1.25 -4.97 0.00 7.02 0.57 -4.76 117.44 121.83 1swd n TRP 79 Ca 0.10 -2.19 -0.28 0.00 -1.02 0.00 0.00 57.50 54.11 1swd n TRP 79 Cb 0.48 -1.94 -0.16 0.00 -2.42 0.00 0.00 31.31 27.27 1swd n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1swd s LYS 80 N 1.98 2.10 0.00 -0.99 2.20 -1.26 -1.60 119.74 122.17 1swd s LYS 80 Ca 0.61 -0.70 0.00 0.00 -0.36 0.00 0.00 55.97 55.52 1swd s LYS 80 Cb 0.21 -1.77 0.00 0.00 -1.51 0.00 0.00 37.83 34.76 1swd s LYS 80 CO -0.03 0.26 0.00 0.27 -0.36 0.00 0.00 175.35 175.49 1swd n ASN 81 N 3.18 0.00 -0.41 1.43 0.23 -0.80 -4.70 115.26 114.19 1swd n ASN 81 Ca -0.18 -0.36 0.14 0.00 -0.53 0.00 0.00 54.58 53.65 1swd n ASN 81 Cb 0.53 0.00 0.49 0.00 -2.08 0.00 0.00 39.78 38.71 1swd n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1swd n ASN 82 N -0.87 1.35 -0.07 0.53 5.03 -1.26 -3.90 115.26 116.06 1swd n ASN 82 Ca 0.00 -1.32 -0.20 0.00 0.87 0.00 0.00 54.58 53.93 1swd n ASN 82 Cb 0.00 0.04 -0.13 0.00 -1.02 0.00 0.00 39.78 38.67 1swd n ASN 82 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1swd n TYR 83 N -0.07 0.57 -3.59 3.10 4.01 -1.26 -5.04 117.16 114.88 1swd n TYR 83 Ca 0.17 0.13 -0.09 0.00 -0.16 0.00 0.00 57.90 57.96 1swd n TYR 83 Cb 0.35 -1.07 -0.02 0.00 -0.31 0.00 0.00 39.34 38.29 1swd n TYR 83 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1swd s ARG 84 N -2.53 1.24 -0.06 -0.72 1.70 -1.25 -5.09 118.95 112.24 1swd s ARG 84 Ca -0.30 -0.56 -0.00 0.00 -0.47 0.00 0.00 55.73 54.40 1swd s ARG 84 Cb 0.08 0.50 0.03 0.00 -0.57 0.00 0.00 34.95 34.99 1swd s ARG 84 CO 0.66 -0.55 -0.01 1.21 -1.08 0.00 0.00 175.30 175.52 1swd s ASN 85 N -2.74 1.30 0.00 -2.89 3.84 -1.26 -1.91 114.94 111.28 1swd s ASN 85 Ca 0.06 -0.10 0.23 0.00 0.21 0.00 0.00 52.86 53.26 1swd s ASN 85 Cb -0.02 -0.43 0.28 0.00 -0.55 0.00 0.00 41.25 40.53 1swd s ASN 85 CO -0.05 -0.14 1.30 0.00 -2.79 0.00 0.00 177.10 175.41 1swd n ALA 86 N 4.73 2.44 -3.65 1.71 0.00 -0.63 -4.96 120.51 120.16 1swd n ALA 86 Ca -0.14 -0.81 -0.22 0.00 0.00 0.00 0.00 53.44 52.27 1swd n ALA 86 Cb 0.50 -0.81 0.04 0.00 0.00 0.00 0.00 19.45 19.18 1swd n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1swd n HIS 87 N 1.37 -1.96 -3.63 0.00 8.25 -1.26 -4.80 115.22 113.18 1swd n HIS 87 Ca 0.16 0.79 -0.10 0.00 -0.26 0.00 0.00 57.72 58.31 1swd n HIS 87 Cb 0.59 -4.26 -0.03 0.00 1.12 0.00 0.00 29.99 27.40 1swd n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1swd s SER 88 N -4.17 -0.34 -0.10 0.41 1.04 -1.26 -0.20 113.70 109.08 1swd s SER 88 Ca 0.10 -0.32 -0.06 0.00 0.48 0.00 0.00 55.95 56.15 1swd s SER 88 Cb -0.03 0.57 0.04 0.00 0.10 0.00 0.00 66.02 66.70 1swd s SER 88 CO 0.81 -1.01 0.24 0.00 0.98 0.00 0.00 173.24 174.26 1swd s ALA 89 N -3.83 -0.55 -0.13 5.32 0.00 0.18 -0.31 121.76 122.43 1swd s ALA 89 Ca 0.06 0.86 -0.01 0.00 0.00 0.00 0.00 51.96 52.86 1swd s ALA 89 Cb -0.01 -0.53 -0.02 0.00 0.00 0.00 0.00 23.12 22.56 1swd s ALA 89 CO -0.07 -0.16 -0.08 0.99 0.00 0.00 0.00 175.76 176.44 1swd s THR 90 N 0.82 3.57 -0.21 0.00 2.01 -0.41 0.54 115.64 121.96 1swd s THR 90 Ca -0.06 -0.49 -0.04 0.00 0.31 0.00 0.00 61.69 61.42 1swd s THR 90 Cb -0.07 -2.52 -0.01 0.00 0.01 0.00 0.00 72.50 69.91 1swd s THR 90 CO -0.05 0.53 -0.04 0.42 -0.69 0.00 0.00 174.62 174.79 1swd s THR 91 N 0.10 3.50 -0.15 -0.82 -4.23 0.23 -1.83 115.64 112.45 1swd s THR 91 Ca -0.03 -0.46 -0.12 0.00 -1.18 0.00 0.00 61.69 59.90 1swd s THR 91 Cb -0.14 -2.58 -0.05 0.00 1.34 0.00 0.00 72.50 71.07 1swd s THR 91 CO 0.03 0.43 0.25 0.26 -0.54 0.00 0.00 174.62 175.06 1swd s TRP 92 N 1.29 3.49 -0.09 3.99 0.51 0.14 -1.01 118.94 127.26 1swd s TRP 92 Ca 0.04 0.57 0.04 0.00 -2.12 0.00 0.00 56.10 54.63 1swd s TRP 92 Cb -0.14 -2.25 -0.00 0.00 -0.81 0.00 0.00 33.47 30.26 1swd s TRP 92 CO -0.01 0.35 -0.23 0.45 -0.51 0.00 0.00 176.95 176.99 1swd s SER 93 N 0.12 2.98 0.00 2.95 0.15 0.17 -1.65 113.70 118.41 1swd s SER 93 Ca 0.15 -0.53 0.00 0.00 0.70 0.00 0.00 55.95 56.27 1swd s SER 93 Cb -0.13 -1.24 0.00 0.00 -1.71 0.00 0.00 66.02 62.94 1swd s SER 93 CO 0.04 0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.25 1swd n GLY 94 N 3.41 1.70 3.08 9.45 0.00 0.17 -1.19 105.19 121.81 1swd n GLY 94 Ca -0.19 -0.40 -0.12 0.00 0.00 0.00 0.00 46.02 45.31 1swd n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1swd s GLN 95 N 1.75 0.36 0.04 1.61 -2.07 -0.83 -0.40 119.66 120.12 1swd s GLN 95 Ca 0.00 -0.11 -0.17 0.00 -1.82 0.00 0.00 55.36 53.26 1swd s GLN 95 Cb 0.00 0.16 -0.06 0.00 -1.09 0.00 0.00 33.01 32.01 1swd s GLN 95 CO 0.00 -0.07 0.49 -0.47 -1.32 0.00 0.00 175.29 173.92 1swd s TYR 96 N -0.72 3.77 -0.22 9.60 5.04 0.12 -1.87 117.35 133.07 1swd s TYR 96 Ca -0.08 1.14 0.01 0.00 -2.44 0.00 0.00 57.07 55.69 1swd s TYR 96 Cb -0.05 -2.40 0.06 0.00 0.35 0.00 0.00 41.96 39.92 1swd s TYR 96 CO 0.01 0.62 -0.06 0.08 -1.34 0.00 0.00 175.55 174.85 1swd s VAL 97 N -1.09 1.52 1.21 3.14 1.01 0.49 -0.20 120.40 126.47 1swd s VAL 97 Ca 0.26 -1.14 -0.18 0.00 0.00 0.00 0.00 61.98 60.92 1swd s VAL 97 Cb -0.18 -1.75 0.29 0.00 0.00 0.00 0.00 36.38 34.74 1swd s VAL 97 CO 0.16 -0.04 1.07 -0.83 0.00 0.00 0.00 175.10 175.46 1swd s GLY 98 N 1.41 1.54 0.00 4.51 0.00 -1.26 -1.87 107.32 111.66 1swd s GLY 98 Ca -0.05 -0.78 0.00 0.00 0.00 0.00 0.00 44.72 43.89 1swd s GLY 98 CO -0.07 0.08 0.00 0.61 0.00 0.00 0.00 173.10 173.72 1swd n GLY 99 N -0.42 0.95 0.30 0.20 0.00 -1.26 -4.74 105.19 100.23 1swd n GLY 99 Ca 0.11 -2.08 0.17 0.00 0.00 0.00 0.00 46.02 44.22 1swd n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1swd h ALA 100 N 0.00 1.26 -3.01 4.61 0.00 -2.07 -3.19 119.26 116.86 1swd h ALA 100 Ca 0.00 -0.03 -0.62 0.00 0.00 0.00 0.00 54.91 54.26 1swd h ALA 100 Cb 0.00 -0.01 -0.41 0.00 0.00 0.00 0.00 17.79 17.37 1swd h ALA 100 CO 0.00 0.04 -0.65 -1.21 0.00 0.00 0.00 179.25 177.43 1swd s GLU 101 N -4.30 2.07 0.40 0.00 2.02 -1.26 -5.10 118.70 112.53 1swd s GLU 101 Ca -0.04 -2.95 -0.27 0.00 0.02 0.00 0.00 54.97 51.73 1swd s GLU 101 Cb 0.13 -3.02 -0.10 0.00 0.10 0.00 0.00 34.13 31.24 1swd s GLU 101 CO 0.52 -1.27 1.45 0.00 0.02 0.00 0.00 175.26 175.98 1swd n ALA 102 N 2.39 2.16 -3.63 5.21 0.00 -1.21 -4.88 120.51 120.56 1swd n ALA 102 Ca 0.18 0.31 -0.10 0.00 0.00 0.00 0.00 53.44 53.83 1swd n ALA 102 Cb 0.36 -2.40 -0.10 0.00 0.00 0.00 0.00 19.45 17.32 1swd n ALA 102 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1swd s ARG 103 N -2.20 0.48 -0.39 0.00 3.52 -0.78 -4.16 118.95 115.42 1swd s ARG 103 Ca 0.56 0.85 -0.09 0.00 -0.13 0.00 0.00 55.73 56.92 1swd s ARG 103 Cb -0.48 0.06 0.05 0.00 -1.56 0.00 0.00 34.95 33.02 1swd s ARG 103 CO 0.62 -0.14 0.21 0.42 -0.81 0.00 0.00 175.30 175.60 1swd s ILE 104 N 1.25 4.28 -0.14 4.11 1.01 -0.93 -0.38 121.20 130.39 1swd s ILE 104 Ca -0.08 -1.16 -0.18 0.00 0.00 0.00 0.00 60.65 59.23 1swd s ILE 104 Cb -0.07 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 1swd s ILE 104 CO -0.12 -0.35 0.49 0.20 0.00 0.00 0.00 174.94 175.16 1swd s ASN 105 N 1.79 6.65 0.12 3.58 0.01 -0.78 -1.22 114.94 125.09 1swd s ASN 105 Ca 0.02 0.78 0.02 0.00 -0.71 0.00 0.00 52.86 52.96 1swd s ASN 105 Cb -0.21 -2.29 -0.04 0.00 0.41 0.00 0.00 41.25 39.12 1swd s ASN 105 CO 0.04 -0.05 -0.05 0.42 -1.51 0.00 0.00 177.10 175.94 1swd s THR 106 N 0.93 0.75 0.02 1.60 -4.23 0.54 -1.96 115.64 113.29 1swd s THR 106 Ca 0.26 -1.96 0.08 0.00 -1.18 0.00 0.00 61.69 58.88 1swd s THR 106 Cb -0.15 -1.82 -0.03 0.00 1.34 0.00 0.00 72.50 71.84 1swd s THR 106 CO 0.10 -0.75 -0.24 -1.10 -0.54 0.00 0.00 174.62 172.09 1swd s GLN 107 N -3.84 1.98 0.09 3.99 -1.52 -0.33 -2.61 119.66 117.41 1swd s GLN 107 Ca 0.16 -1.01 0.05 0.00 -1.95 0.00 0.00 55.36 52.60 1swd s GLN 107 Cb 0.05 -2.06 -0.03 0.00 -0.22 0.00 0.00 33.01 30.75 1swd s GLN 107 CO -0.02 0.54 -0.12 1.67 -0.25 0.00 0.00 175.29 177.11 1swd s TRP 108 N -0.77 1.18 -0.16 0.91 1.48 0.12 0.44 118.94 122.14 1swd s TRP 108 Ca 0.12 -0.55 0.01 0.00 -1.06 0.00 0.00 56.10 54.62 1swd s TRP 108 Cb -0.10 -0.65 0.02 0.00 -1.16 0.00 0.00 33.47 31.58 1swd s TRP 108 CO 0.02 0.05 -0.18 -0.51 -4.06 0.00 0.00 176.95 172.27 1swd s LEU 109 N -2.16 1.99 -0.37 -4.66 1.43 -0.18 -1.90 118.68 112.84 1swd s LEU 109 Ca 0.03 -0.59 -0.09 0.00 -1.03 0.00 0.00 54.13 52.45 1swd s LEU 109 Cb -0.06 -1.37 0.04 0.00 0.03 0.00 0.00 46.19 44.82 1swd s LEU 109 CO 0.02 -0.00 0.17 -0.22 0.23 0.00 0.00 176.35 176.54 1swd s LEU 110 N 1.26 4.62 -0.19 1.79 2.96 -0.56 0.77 118.68 129.33 1swd s LEU 110 Ca 0.03 -1.15 -0.04 0.00 -0.22 0.00 0.00 54.13 52.75 1swd s LEU 110 Cb -0.13 -1.95 -0.02 0.00 0.50 0.00 0.00 46.19 44.59 1swd s LEU 110 CO -0.10 -0.39 -0.02 -0.89 -1.32 0.00 0.00 176.35 173.63 1swd s THR 111 N 1.46 3.77 0.06 3.68 2.01 0.19 -0.43 115.64 126.39 1swd s THR 111 Ca 0.01 -0.38 -0.10 0.00 0.31 0.00 0.00 61.69 61.53 1swd s THR 111 Cb -0.20 -2.69 -0.06 0.00 0.01 0.00 0.00 72.50 69.57 1swd s THR 111 CO 0.04 0.45 0.39 -0.44 -0.69 0.00 0.00 174.62 174.37 1swd s SER 112 N 0.89 6.65 -0.02 3.53 0.01 -0.44 -0.65 113.70 123.67 1swd s SER 112 Ca 0.00 0.79 -0.30 0.00 1.31 0.00 0.00 55.95 57.75 1swd s SER 112 Cb -0.14 -2.18 -0.06 0.00 0.21 0.00 0.00 66.02 63.85 1swd s SER 112 CO 0.02 0.20 1.55 -0.83 0.41 0.00 0.00 173.24 174.58 1swd s GLY 113 N -1.68 1.65 0.16 3.44 0.00 0.72 -4.83 107.32 106.77 1swd s GLY 113 Ca 0.31 0.95 0.04 0.00 0.00 0.00 0.00 44.72 46.03 1swd s GLY 113 CO 0.17 2.81 -0.07 -0.51 0.00 0.00 0.00 173.10 175.50 1swd s THR 114 N 3.16 1.05 1.08 0.90 -4.23 -1.26 -4.99 115.64 111.35 1swd s THR 114 Ca 0.69 -2.04 -0.12 0.00 -1.18 0.00 0.00 61.69 59.04 1swd s THR 114 Cb -0.33 -1.93 0.24 0.00 1.34 0.00 0.00 72.50 71.81 1swd s THR 114 CO 0.28 -0.67 1.06 0.42 -0.54 0.00 0.00 174.62 175.17 1swd s THR 115 N -3.40 2.08 0.27 3.99 -4.23 -1.26 -4.76 115.64 108.32 1swd s THR 115 Ca 0.19 0.03 -0.02 0.00 -1.18 0.00 0.00 61.69 60.71 1swd s THR 115 Cb 0.04 -2.27 0.27 0.00 1.34 0.00 0.00 72.50 71.88 1swd s THR 115 CO 0.02 -0.03 1.87 -0.08 -0.54 0.00 0.00 174.62 175.85 1swd h GLU 116 N -2.27 1.11 -0.10 3.99 4.57 -2.01 -1.87 114.58 118.01 1swd h GLU 116 Ca -0.58 -0.07 -0.05 0.00 -1.18 0.00 0.00 59.36 57.49 1swd h GLU 116 Cb 1.33 -0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 29.66 1swd h GLU 116 CO 0.53 0.74 -0.15 0.00 -1.18 0.00 0.00 179.01 178.95 1swd h ALA 117 N 1.47 1.57 -0.07 2.92 0.00 -2.07 -3.20 119.26 119.89 1swd h ALA 117 Ca 0.45 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1swd h ALA 117 Cb 0.23 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1swd h ALA 117 CO -0.19 0.31 0.00 0.09 0.00 0.00 0.00 179.25 179.46 1swd n ASN 118 N -4.29 2.35 0.01 0.00 3.02 -0.77 -4.52 115.26 111.06 1swd n ASN 118 Ca -0.01 -1.66 0.21 0.00 -0.03 0.00 0.00 54.58 53.09 1swd n ASN 118 Cb 0.26 -0.03 0.71 0.00 -0.61 0.00 0.00 39.78 40.11 1swd n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1swd h ALA 119 N 2.90 2.43 -0.13 5.41 0.00 -1.38 0.04 119.26 128.53 1swd h ALA 119 Ca 0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1swd h ALA 119 Cb 0.64 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1swd h ALA 119 CO 0.00 -0.69 0.07 0.11 0.00 0.00 0.00 179.25 178.74 1swd h TRP 120 N 0.00 0.17 -0.52 0.00 5.08 -1.82 -1.93 115.95 116.93 1swd h TRP 120 Ca 0.25 0.00 -0.29 0.00 1.08 0.00 0.00 58.89 59.93 1swd h TRP 120 Cb 1.07 -0.06 -0.17 0.00 -3.00 0.00 0.00 29.16 27.00 1swd h TRP 120 CO 0.00 0.13 0.04 0.36 -1.28 0.00 0.00 178.44 177.69 1swd n LYS 121 N -4.50 2.06 0.13 0.12 2.85 -0.01 -4.65 118.16 114.16 1swd n LYS 121 Ca -0.01 -3.24 0.01 0.00 -1.05 0.00 0.00 58.31 54.02 1swd n LYS 121 Cb 0.10 -1.93 0.02 0.00 -0.65 0.00 0.00 35.03 32.56 1swd n LYS 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1swd h SER 122 N 1.13 0.00 -3.40 -5.58 4.64 -1.29 -3.45 113.55 105.60 1swd h SER 122 Ca 0.32 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.97 1swd h SER 122 Cb 1.80 0.00 -0.34 0.00 -0.31 0.00 0.00 62.40 63.54 1swd h SER 122 CO 0.60 0.60 -0.81 -0.89 -0.87 0.00 0.00 176.83 175.46 1swd s THR 123 N -2.95 2.35 0.25 2.95 2.01 -1.26 -1.33 115.64 117.66 1swd s THR 123 Ca 0.03 -1.13 -0.12 0.00 0.31 0.00 0.00 61.69 60.78 1swd s THR 123 Cb 0.08 -2.15 -0.08 0.00 0.01 0.00 0.00 72.50 70.36 1swd s THR 123 CO 0.76 0.30 0.61 -0.76 -0.69 0.00 0.00 174.62 174.83 1swd s LEU 124 N 1.25 4.16 0.04 4.42 1.43 0.42 -4.92 118.68 125.49 1swd s LEU 124 Ca 0.00 1.05 0.09 0.00 -1.03 0.00 0.00 54.13 54.24 1swd s LEU 124 Cb -0.16 -3.75 -0.03 0.00 0.03 0.00 0.00 46.19 42.28 1swd s LEU 124 CO -0.08 -0.09 -0.25 0.54 0.23 0.00 0.00 176.35 176.70 1swd s VAL 125 N -1.82 2.02 0.07 -1.59 0.11 -1.26 -1.49 120.40 116.43 1swd s VAL 125 Ca 0.48 -1.33 -0.03 0.00 -2.93 0.00 0.00 61.98 58.17 1swd s VAL 125 Cb -0.11 -1.73 0.01 0.00 -1.53 0.00 0.00 36.38 33.02 1swd s VAL 125 CO 0.20 0.34 0.17 0.61 -3.33 0.00 0.00 175.10 173.09 1swd n GLY 126 N 1.83 1.59 3.22 6.54 0.00 -0.80 -4.99 105.19 112.58 1swd n GLY 126 Ca -0.17 -1.03 -0.11 0.00 0.00 0.00 0.00 46.02 44.71 1swd n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1swd s HIS 127 N -6.88 -0.49 0.13 1.61 -3.43 -1.26 -0.70 115.29 104.27 1swd s HIS 127 Ca 0.04 1.10 0.08 0.00 -0.80 0.00 0.00 55.06 55.48 1swd s HIS 127 Cb -0.01 0.19 -0.04 0.00 -1.43 0.00 0.00 32.58 31.29 1swd s HIS 127 CO 0.02 -0.28 -0.19 -0.51 -2.00 0.00 0.00 174.74 171.78 1swd s ASP 128 N 1.08 2.57 -0.04 7.38 1.01 -1.07 -5.00 116.67 122.60 1swd s ASP 128 Ca -0.07 -0.78 0.02 0.00 0.71 0.00 0.00 52.55 52.43 1swd s ASP 128 Cb -0.07 -0.14 0.01 0.00 1.01 0.00 0.00 42.92 43.72 1swd s ASP 128 CO -0.09 0.00 -0.09 0.42 0.21 0.00 0.00 175.17 175.62 1swd s THR 129 N -1.63 0.86 -0.10 -1.27 -4.23 -1.26 -0.34 115.64 107.67 1swd s THR 129 Ca 0.11 -0.37 -0.01 0.00 -1.18 0.00 0.00 61.69 60.24 1swd s THR 129 Cb -0.08 -0.78 -0.03 0.00 1.34 0.00 0.00 72.50 72.95 1swd s THR 129 CO 0.05 0.28 -0.05 -0.36 -0.54 0.00 0.00 174.62 174.00 1swd s PHE 130 N 0.42 3.00 0.16 3.99 0.40 -0.36 -3.37 117.98 122.23 1swd s PHE 130 Ca -0.07 -0.05 0.09 0.00 -0.60 0.00 0.00 56.93 56.29 1swd s PHE 130 Cb -0.12 -1.79 -0.04 0.00 0.51 0.00 0.00 43.02 41.58 1swd s PHE 130 CO 0.01 0.25 -0.19 0.99 0.70 0.00 0.00 175.22 176.98 1swd s THR 131 N -0.48 1.83 -2.00 0.64 2.01 0.13 -2.20 115.64 115.57 1swd s THR 131 Ca 0.07 -1.89 0.10 0.00 0.31 0.00 0.00 61.69 60.28 1swd s THR 131 Cb -0.12 -1.83 0.27 0.00 0.01 0.00 0.00 72.50 70.83 1swd s THR 131 CO 0.02 -0.29 1.02 0.29 -0.69 0.00 0.00 174.62 174.97