#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sfo n THR 3 N 0.00 0.00 -4.10 12.58 -1.04 -1.26 -4.86 114.28 115.60 1sfo n THR 3 Ca 0.00 0.00 -0.05 0.00 -2.04 0.00 0.00 64.05 61.96 1sfo n THR 3 Cb 0.00 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.50 1sfo n THR 3 CO 0.00 0.00 0.00 2.22 -0.64 0.00 0.00 175.07 176.65 1sfo n PHE 4 N 0.00 0.14 -4.26 -1.42 1.16 -1.26 -4.95 117.46 106.86 1sfo n PHE 4 Ca 0.00 -0.40 -0.15 0.00 -1.87 0.00 0.00 57.45 55.03 1sfo n PHE 4 Cb 0.00 -0.05 -0.10 0.00 -1.61 0.00 0.00 39.48 37.71 1sfo n PHE 4 CO 0.00 0.00 0.00 0.50 -1.87 0.00 0.00 176.76 175.39 1sfo s ARG 5 N -2.30 1.11 0.47 3.97 3.52 -1.26 -5.16 118.95 119.29 1sfo s ARG 5 Ca 0.00 -1.49 0.05 0.00 -0.13 0.00 0.00 55.73 54.17 1sfo s ARG 5 Cb -0.00 -0.65 -0.02 0.00 -1.56 0.00 0.00 34.95 32.72 1sfo s ARG 5 CO 0.00 0.06 0.18 -0.06 -0.81 0.00 0.00 175.30 174.67 1sfo s PHE 6 N -3.32 2.19 0.38 5.12 0.40 -1.26 -3.74 117.98 117.75 1sfo s PHE 6 Ca 0.18 -0.74 -0.22 0.00 -0.60 0.00 0.00 56.93 55.56 1sfo s PHE 6 Cb 0.03 -1.86 -0.10 0.00 0.51 0.00 0.00 43.02 41.60 1sfo s PHE 6 CO 0.02 0.06 0.92 0.00 0.70 0.00 0.00 175.22 176.91 1sfo n ARG 8 N -0.21 2.54 0.00 0.00 1.74 -1.26 -2.79 116.66 116.68 1sfo n ARG 8 Ca 0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 1sfo n ARG 8 Cb 0.53 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.97 1sfo n ARG 8 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1sfo n ASP 9 N 0.00 0.00 0.00 0.55 9.92 -1.26 -3.19 116.55 122.57 1sfo n ASP 9 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1sfo n ASP 9 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1sfo n ASP 9 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1sfo n ASN 11 N -0.75 0.00 -1.62 0.00 5.15 -1.12 -4.89 115.26 112.03 1sfo n ASN 11 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1sfo n ASN 11 Cb 0.08 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.33 1sfo n ASN 11 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1sfo n ASN 12 N 0.71 1.41 -4.77 1.20 5.03 -1.26 -4.91 115.26 112.67 1sfo n ASN 12 Ca 0.00 -0.95 -0.36 0.00 0.87 0.00 0.00 54.58 54.14 1sfo n ASN 12 Cb 0.00 0.00 -0.07 0.00 -1.02 0.00 0.00 39.78 38.69 1sfo n ASN 12 CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 1sfo s MET 13 N -1.85 4.03 -0.06 3.52 1.75 -1.26 -2.28 119.30 123.15 1sfo s MET 13 Ca 0.00 -0.10 0.02 0.00 -1.25 0.00 0.00 55.69 54.36 1sfo s MET 13 Cb 0.00 -3.36 -0.03 0.00 2.84 0.00 0.00 34.83 34.28 1sfo s MET 13 CO 0.00 0.41 -0.09 -0.48 -0.65 0.00 0.00 175.02 174.21 1sfo s LEU 14 N 0.01 3.02 0.00 4.11 2.34 -1.25 -4.37 118.68 122.55 1sfo s LEU 14 Ca 0.12 -0.09 0.00 0.00 0.06 0.00 0.00 54.13 54.23 1sfo s LEU 14 Cb -0.12 -1.64 0.00 0.00 -0.56 0.00 0.00 46.19 43.87 1sfo s LEU 14 CO 0.01 0.35 0.00 -1.22 -1.06 0.00 0.00 176.35 174.43 1sfo n TYR 15 N 2.29 0.00 -3.43 3.48 4.02 -1.07 -4.66 117.16 117.79 1sfo n TYR 15 Ca -0.18 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.59 1sfo n TYR 15 Cb 0.53 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.82 1sfo n TYR 15 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1sfo s PRO 16 N 3.16 1.25 0.06 -0.72 0.04 -1.26 -2.67 135.00 134.85 1sfo s PRO 16 Ca 0.00 -0.38 -0.28 0.00 0.04 0.00 0.00 61.00 60.38 1sfo s PRO 16 Cb 0.00 0.58 0.10 0.00 0.04 0.00 0.00 34.50 35.21 1sfo s PRO 16 CO 0.00 -0.53 1.13 0.50 0.04 0.00 0.00 177.00 178.14 1sfo s ARG 17 N -3.45 0.76 -0.01 4.56 3.52 -0.13 -4.94 118.95 119.25 1sfo s ARG 17 Ca -0.00 -0.42 -0.25 0.00 -0.13 0.00 0.00 55.73 54.93 1sfo s ARG 17 Cb -0.01 0.26 -0.04 0.00 -1.56 0.00 0.00 34.95 33.60 1sfo s ARG 17 CO -0.10 -0.35 0.78 -1.21 -0.81 0.00 0.00 175.30 173.61 1sfo s GLU 18 N -2.82 4.49 -0.92 5.12 2.02 -1.26 0.40 118.70 125.72 1sfo s GLU 18 Ca 0.13 1.06 -0.20 0.00 0.02 0.00 0.00 54.97 55.99 1sfo s GLU 18 Cb 0.02 -3.42 0.11 0.00 0.10 0.00 0.00 34.13 30.94 1sfo s GLU 18 CO -0.01 0.12 1.16 0.34 0.02 0.00 0.00 175.26 176.88 1sfo s ASP 19 N 0.55 6.57 0.00 -0.19 -1.08 0.29 -4.72 116.67 118.08 1sfo s ASP 19 Ca 0.41 -1.87 0.00 0.00 -0.52 0.00 0.00 52.55 50.57 1sfo s ASP 19 Cb -0.19 -2.42 0.00 0.00 -1.46 0.00 0.00 42.92 38.84 1sfo s ASP 19 CO 0.22 -1.16 0.62 0.29 0.52 0.00 0.00 175.17 175.66 1sfo n LYS 20 N 6.97 0.00 0.00 4.34 4.76 -1.26 0.31 118.16 133.29 1sfo n LYS 20 Ca 0.23 0.23 0.00 0.00 -2.87 0.00 0.00 58.31 55.89 1sfo n LYS 20 Cb 0.49 -1.12 0.00 0.00 -1.84 0.00 0.00 35.03 32.56 1sfo n LYS 20 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1sfo n GLU 21 N -0.99 0.00 0.00 1.97 1.02 -1.26 0.08 120.64 121.46 1sfo n GLU 21 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1sfo n GLU 21 Cb 0.00 -0.18 0.00 0.00 -0.02 0.00 0.00 31.44 31.24 1sfo n GLU 21 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1sfo n ASN 22 N 0.00 2.01 -2.86 1.62 2.85 -1.26 -4.90 115.26 112.72 1sfo n ASN 22 Ca 0.00 -1.52 -0.02 0.00 -0.11 0.00 0.00 54.58 52.92 1sfo n ASN 22 Cb 0.00 -0.38 0.00 0.00 1.24 0.00 0.00 39.78 40.64 1sfo n ASN 22 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1sfo n ASN 23 N 0.53 -5.63 -3.59 1.20 3.02 0.15 -5.00 115.26 105.95 1sfo n ASN 23 Ca 0.00 0.31 -0.02 0.00 -0.03 0.00 0.00 54.58 54.84 1sfo n ASN 23 Cb 0.35 -1.36 0.00 0.00 -0.61 0.00 0.00 39.78 38.16 1sfo n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1sfo s ARG 24 N -0.95 1.03 -0.22 3.52 1.70 -0.25 -4.92 118.95 118.86 1sfo s ARG 24 Ca 0.02 -0.62 -0.11 0.00 -0.47 0.00 0.00 55.73 54.55 1sfo s ARG 24 Cb -0.00 0.32 -0.05 0.00 -0.57 0.00 0.00 34.95 34.65 1sfo s ARG 24 CO 0.05 -0.48 0.17 -1.17 -1.08 0.00 0.00 175.30 172.79 1sfo s LEU 25 N -3.19 4.16 -0.66 -1.89 2.96 -1.26 0.10 118.68 118.91 1sfo s LEU 25 Ca 0.17 0.21 -0.02 0.00 -0.22 0.00 0.00 54.13 54.27 1sfo s LEU 25 Cb -0.01 -2.14 0.17 0.00 0.50 0.00 0.00 46.19 44.71 1sfo s LEU 25 CO 0.02 0.10 0.48 -0.76 -1.32 0.00 0.00 176.35 174.88 1sfo s LEU 26 N 0.76 5.24 0.79 -0.68 1.43 0.16 -0.53 118.68 125.85 1sfo s LEU 26 Ca 0.09 -3.01 -0.11 0.00 -1.03 0.00 0.00 54.13 50.08 1sfo s LEU 26 Cb -0.13 -1.85 0.07 0.00 0.03 0.00 0.00 46.19 44.31 1sfo s LEU 26 CO 0.02 -0.33 1.09 -0.36 0.23 0.00 0.00 176.35 177.00 1sfo s PHE 27 N -0.29 2.50 -0.30 0.29 2.99 -0.99 -0.96 117.98 121.23 1sfo s PHE 27 Ca 0.19 1.55 -0.16 0.00 0.00 0.00 0.00 56.93 58.50 1sfo s PHE 27 Cb -0.18 -3.07 0.21 0.00 0.00 0.00 0.00 43.02 39.97 1sfo s PHE 27 CO -0.05 -1.91 1.27 -1.83 -0.00 0.00 0.00 175.22 172.71 1sfo s GLU 28 N -4.89 0.04 -0.05 0.44 4.04 -1.09 -2.68 118.70 114.50 1sfo s GLU 28 Ca 0.62 0.06 -0.30 0.00 0.04 0.00 0.00 54.97 55.39 1sfo s GLU 28 Cb -0.18 0.01 -0.05 0.00 0.02 0.00 0.00 34.13 33.93 1sfo s GLU 28 CO 0.56 -0.01 1.56 0.00 -1.84 0.00 0.00 175.26 175.53 1sfo n ARG 30 N 6.69 1.93 -0.06 0.00 1.85 -1.26 -3.24 116.66 122.58 1sfo n ARG 30 Ca 0.16 -1.80 -0.12 0.00 -1.00 0.00 0.00 57.85 55.09 1sfo n ARG 30 Cb 0.43 -1.72 -0.04 0.00 -1.05 0.00 0.00 32.46 30.08 1sfo n ARG 30 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 1sfo n THR 31 N 0.24 0.65 0.00 8.89 5.66 -1.26 -4.97 114.28 123.49 1sfo n THR 31 Ca 0.35 -0.18 0.00 0.00 -3.05 0.00 0.00 64.05 61.17 1sfo n THR 31 Cb 0.58 -1.52 0.00 0.00 -1.55 0.00 0.00 70.33 67.84 1sfo n THR 31 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1sfo n SER 33 N -1.06 0.00 -3.06 0.00 7.64 -1.20 -5.07 113.62 110.87 1sfo n SER 33 Ca 0.00 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.60 1sfo n SER 33 Cb 0.00 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.23 1sfo n SER 33 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sfo n TYR 34 N 0.00 -2.74 -3.52 1.43 9.36 -1.26 -4.69 117.16 115.73 1sfo n TYR 34 Ca 0.00 0.20 -0.16 0.00 3.32 0.00 0.00 57.90 61.26 1sfo n TYR 34 Cb 0.00 -1.08 -0.05 0.00 -0.63 0.00 0.00 39.34 37.58 1sfo n TYR 34 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 1sfo s VAL 35 N -1.53 0.01 0.02 2.97 1.01 -1.26 -3.61 120.40 118.01 1sfo s VAL 35 Ca 0.29 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.23 1sfo s VAL 35 Cb -0.04 -0.98 -0.02 0.00 0.00 0.00 0.00 36.38 35.33 1sfo s VAL 35 CO 0.58 -0.03 -0.03 -1.83 0.00 0.00 0.00 175.10 173.79 1sfo s GLU 36 N -1.82 0.34 0.56 2.72 -1.05 -1.09 -5.00 118.70 113.35 1sfo s GLU 36 Ca -0.08 -0.63 -0.17 0.00 -0.15 0.00 0.00 54.97 53.93 1sfo s GLU 36 Cb -0.00 0.07 -0.05 0.00 -0.44 0.00 0.00 34.13 33.70 1sfo s GLU 36 CO 0.04 -0.04 1.06 -1.83 0.95 0.00 0.00 175.26 175.44 1sfo s GLU 37 N -1.51 3.46 0.08 -4.83 -1.05 -1.26 -2.33 118.70 111.26 1sfo s GLU 37 Ca -0.15 1.28 -0.37 0.00 -0.15 0.00 0.00 54.97 55.58 1sfo s GLU 37 Cb -0.10 -2.05 -0.17 0.00 -0.44 0.00 0.00 34.13 31.37 1sfo s GLU 37 CO -0.01 -0.70 1.33 0.00 0.95 0.00 0.00 175.26 176.83 1sfo n ALA 38 N -1.66 -1.11 0.25 -0.84 0.00 0.31 -4.85 120.51 112.61 1sfo n ALA 38 Ca 0.09 0.52 -0.15 0.00 0.00 0.00 0.00 53.44 53.90 1sfo n ALA 38 Cb 0.53 -2.06 -0.08 0.00 0.00 0.00 0.00 19.45 17.84 1sfo n ALA 38 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1sfo h GLY 39 N 4.50 -0.65 -2.37 0.00 0.00 -1.91 -3.47 103.07 99.16 1sfo h GLY 39 Ca -0.48 0.24 0.11 0.00 0.00 0.00 0.00 47.33 47.20 1sfo h GLY 39 CO 0.77 -0.24 0.36 -1.35 0.00 0.00 0.00 176.54 176.09 1sfo s SER 40 N -4.78 -0.26 0.03 0.19 1.04 -1.26 -5.04 113.70 103.62 1sfo s SER 40 Ca -0.15 -0.41 0.23 0.00 0.48 0.00 0.00 55.95 56.11 1sfo s SER 40 Cb 0.03 0.58 0.97 0.00 0.10 0.00 0.00 66.02 67.70 1sfo s SER 40 CO 0.55 -1.05 1.74 -0.81 0.98 0.00 0.00 173.24 174.66 1sfo n PRO 41 N -0.44 0.03 -1.74 4.02 -0.05 -1.26 -4.80 135.00 130.77 1sfo n PRO 41 Ca -0.07 0.13 -0.39 0.00 -0.05 0.00 0.00 63.50 63.12 1sfo n PRO 41 Cb 0.61 -1.55 0.03 0.00 -0.05 0.00 0.00 33.50 32.54 1sfo n PRO 41 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 175.50 175.34 1sfo n LEU 42 N -1.60 5.10 0.00 1.53 -0.00 -1.26 -4.87 117.00 115.90 1sfo n LEU 42 Ca 0.05 1.05 0.00 0.00 -0.00 0.00 0.00 56.01 57.12 1sfo n LEU 42 Cb 0.28 -1.57 0.00 0.00 -0.00 0.00 0.00 43.42 42.13 1sfo n LEU 42 CO 0.22 -0.43 0.00 0.52 -0.00 0.00 0.00 177.39 177.70 1sfo n VAL 43 N -0.58 0.00 -3.65 1.96 0.31 -1.26 -5.01 118.33 110.10 1sfo n VAL 43 Ca 0.08 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.34 1sfo n VAL 43 Cb 0.43 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.28 1sfo n VAL 43 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1sfo s TYR 44 N -0.33 -1.01 0.14 3.52 5.04 -1.26 -5.06 117.35 118.38 1sfo s TYR 44 Ca 0.00 1.98 0.08 0.00 -2.44 0.00 0.00 57.07 56.69 1sfo s TYR 44 Cb 0.00 0.58 -0.04 0.00 0.35 0.00 0.00 41.96 42.85 1sfo s TYR 44 CO 0.00 -0.52 -0.17 0.50 -1.34 0.00 0.00 175.55 174.02 1sfo s ARG 45 N 1.85 1.17 0.06 4.97 3.52 -1.26 -5.04 118.95 124.22 1sfo s ARG 45 Ca -0.09 -1.32 0.00 0.00 -0.13 0.00 0.00 55.73 54.19 1sfo s ARG 45 Cb -0.07 -1.19 0.00 0.00 -1.56 0.00 0.00 34.95 32.13 1sfo s ARG 45 CO -0.18 0.24 0.00 1.58 -0.81 0.00 0.00 175.30 176.13 1sfo n HIS 46 N 0.48 -0.07 -1.40 5.12 -0.00 -1.26 -5.05 115.22 113.04 1sfo n HIS 46 Ca -0.15 0.01 0.00 0.00 -0.00 0.00 0.00 57.72 57.58 1sfo n HIS 46 Cb 0.57 0.02 0.00 0.00 -0.00 0.00 0.00 29.99 30.58 1sfo n HIS 46 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 1sfo n GLU 47 N -3.28 -3.92 0.00 1.57 1.02 -1.26 -4.94 120.64 109.83 1sfo n GLU 47 Ca 0.00 2.95 0.00 0.00 -0.02 0.00 0.00 57.16 60.09 1sfo n GLU 47 Cb 0.20 -3.43 0.00 0.00 -0.02 0.00 0.00 31.44 28.19 1sfo n GLU 47 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1sfo n LEU 48 N -1.36 0.00 -3.83 -4.62 4.77 -1.26 -4.91 117.00 105.79 1sfo n LEU 48 Ca 0.00 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.69 1sfo n LEU 48 Cb 0.12 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.05 1sfo n LEU 48 CO 0.00 0.00 -0.38 -0.63 -1.33 0.00 0.00 177.39 175.05 1sfo s ILE 49 N 0.00 1.04 -0.03 -0.08 1.01 -1.26 -5.13 121.20 116.76 1sfo s ILE 49 Ca 0.00 -0.99 0.07 0.00 0.00 0.00 0.00 60.65 59.73 1sfo s ILE 49 Cb 0.00 -1.48 -0.02 0.00 0.01 0.00 0.00 42.46 40.97 1sfo s ILE 49 CO 0.00 -0.23 -0.24 -0.89 0.00 0.00 0.00 174.94 173.58 1sfo s THR 50 N 1.61 2.25 -1.04 2.92 2.01 -1.26 -5.00 115.64 117.13 1sfo s THR 50 Ca -0.01 -1.03 0.17 0.00 0.31 0.00 0.00 61.69 61.13 1sfo s THR 50 Cb -0.18 -1.80 -0.14 0.00 0.01 0.00 0.00 72.50 70.39 1sfo s THR 50 CO -0.09 0.58 0.79 0.59 -0.69 0.00 0.00 174.62 175.80 1sfo n ASN 51 N 2.43 1.06 -4.57 3.53 3.02 -1.26 -4.85 115.26 114.62 1sfo n ASN 51 Ca -0.16 -1.03 -0.36 0.00 -0.03 0.00 0.00 54.58 52.99 1sfo n ASN 51 Cb 0.51 0.87 -0.03 0.00 -0.61 0.00 0.00 39.78 40.52 1sfo n ASN 51 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1sfo s ILE 52 N -2.50 3.82 0.00 2.41 1.10 -1.26 -1.84 121.20 122.93 1sfo s ILE 52 Ca 0.09 -1.10 0.00 0.00 -0.51 0.00 0.00 60.65 59.12 1sfo s ILE 52 Cb 0.14 -4.82 0.00 0.00 0.15 0.00 0.00 42.46 37.93 1sfo s ILE 52 CO 0.65 -1.60 0.00 0.61 -2.11 0.00 0.00 174.94 172.49 1sfo n GLY 53 N 6.17 0.00 0.00 1.50 0.00 -1.26 -5.06 105.19 106.54 1sfo n GLY 53 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 1sfo n GLY 53 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1sfo n GLU 54 N 0.00 0.00 -1.17 1.61 1.02 -0.77 -3.63 120.64 117.70 1sfo n GLU 54 Ca 0.00 0.29 -0.30 0.00 -0.02 0.00 0.00 57.16 57.13 1sfo n GLU 54 Cb 0.00 -1.13 0.14 0.00 -0.02 0.00 0.00 31.44 30.43 1sfo n GLU 54 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1sfo s THR 55 N -1.52 2.65 0.00 2.62 2.01 -1.26 -2.23 115.64 117.90 1sfo s THR 55 Ca 0.00 0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.21 1sfo s THR 55 Cb 0.00 -2.67 0.00 0.00 0.01 0.00 0.00 72.50 69.84 1sfo s THR 55 CO 0.00 -0.28 0.00 0.00 -0.69 0.00 0.00 174.62 173.65 1sfo n ALA 56 N -3.91 0.00 -3.78 7.40 0.00 -1.26 -4.83 120.51 114.13 1sfo n ALA 56 Ca 0.07 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.31 1sfo n ALA 56 Cb 0.55 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.00 1sfo n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sfo n GLY 57 N -0.14 -0.31 3.51 0.00 0.00 -1.26 -4.85 105.19 102.14 1sfo n GLY 57 Ca 0.00 0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 1sfo n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sfo s VAL 58 N -4.19 4.75 -0.07 1.61 1.01 -1.26 -4.98 120.40 117.27 1sfo s VAL 58 Ca 0.18 -0.03 -0.03 0.00 0.00 0.00 0.00 61.98 62.10 1sfo s VAL 58 Cb -0.10 -3.24 0.04 0.00 0.00 0.00 0.00 36.38 33.08 1sfo s VAL 58 CO 0.45 0.30 0.12 -0.69 0.00 0.00 0.00 175.10 175.28 1sfo s VAL 59 N 1.68 -0.20 0.19 2.92 1.01 -1.26 -5.03 120.40 119.71 1sfo s VAL 59 Ca 0.07 0.37 0.12 0.00 0.00 0.00 0.00 61.98 62.54 1sfo s VAL 59 Cb -0.16 -0.25 0.20 0.00 0.00 0.00 0.00 36.38 36.17 1sfo s VAL 59 CO 0.07 0.15 0.72 1.67 0.00 0.00 0.00 175.10 177.70 1sfo n GLN 60 N 5.31 -0.02 0.21 2.72 -0.06 -1.26 0.44 117.38 124.73 1sfo n GLN 60 Ca -0.04 0.60 0.15 0.00 -2.00 0.00 0.00 57.00 55.71 1sfo n GLN 60 Cb 0.50 -1.13 0.67 0.00 -4.06 0.00 0.00 30.24 26.22 1sfo n GLN 60 CO 0.00 0.00 0.00 -0.44 -0.20 0.00 0.00 177.06 176.42 1sfo h ASP 61 N 0.00 0.00 -0.99 1.69 3.32 -2.01 -3.13 116.42 115.30 1sfo h ASP 61 Ca 0.40 0.00 0.37 0.00 0.02 0.00 0.00 57.03 57.82 1sfo h ASP 61 Cb 1.17 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.55 1sfo h ASP 61 CO -0.28 0.00 0.47 -0.29 -1.72 0.00 0.00 179.24 177.42 1sfo h ILE 62 N 0.00 0.07 0.00 0.35 2.10 0.90 0.21 117.51 121.14 1sfo h ILE 62 Ca 0.00 -0.02 0.00 0.00 1.08 0.00 0.00 64.86 65.92 1sfo h ILE 62 Cb 0.30 -0.01 0.00 0.00 -1.09 0.00 0.00 36.82 36.02 1sfo h ILE 62 CO 0.00 0.01 0.30 1.23 -1.08 0.00 0.00 178.15 178.61 1sfo h GLY 63 N 0.07 0.00 0.00 8.18 0.00 -1.74 -2.54 103.07 107.04 1sfo h GLY 63 Ca 0.78 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.84 1sfo h GLY 63 CO -0.75 0.00 -2.05 -1.14 0.00 0.00 0.00 176.54 172.60 1sfo n SER 64 N -2.12 1.99 -4.71 0.19 3.41 0.75 -4.91 113.62 108.22 1sfo n SER 64 Ca -0.01 -0.05 -0.61 0.00 -0.26 0.00 0.00 58.87 57.93 1sfo n SER 64 Cb 0.32 0.24 -0.08 0.00 -0.26 0.00 0.00 64.21 64.43 1sfo n SER 64 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1sfo n ASP 65 N -2.82 1.73 -0.20 4.04 -0.08 -0.96 -4.77 116.55 113.49 1sfo n ASP 65 Ca -0.29 1.13 0.15 0.00 -1.51 0.00 0.00 54.79 54.26 1sfo n ASP 65 Cb 0.91 -1.03 0.67 0.00 2.34 0.00 0.00 41.12 44.01 1sfo n ASP 65 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1sfo n PRO 66 N 4.42 1.06 0.00 -0.67 -0.04 -1.26 -3.56 135.00 134.95 1sfo n PRO 66 Ca 0.27 -0.40 0.13 0.00 -0.04 0.00 0.00 63.50 63.47 1sfo n PRO 66 Cb 0.05 -1.49 0.40 0.00 -0.04 0.00 0.00 33.50 32.42 1sfo n PRO 66 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1sfo n THR 67 N -0.62 0.00 -3.22 0.52 -2.24 -1.26 -4.78 114.28 102.67 1sfo n THR 67 Ca 0.18 -0.14 -0.39 0.00 -2.27 0.00 0.00 64.05 61.42 1sfo n THR 67 Cb 0.26 0.41 -0.07 0.00 -2.10 0.00 0.00 70.33 68.83 1sfo n THR 67 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1sfo s LEU 68 N -2.43 4.13 0.84 3.22 1.43 -1.23 -5.04 118.68 119.59 1sfo s LEU 68 Ca 0.26 0.68 -0.11 0.00 -1.03 0.00 0.00 54.13 53.93 1sfo s LEU 68 Cb 0.19 -2.73 0.10 0.00 0.03 0.00 0.00 46.19 43.78 1sfo s LEU 68 CO 0.49 -0.21 1.09 -2.16 0.23 0.00 0.00 176.35 175.79 1sfo s PRO 69 N 1.79 1.72 -0.05 1.29 0.04 -1.26 -4.95 135.00 133.59 1sfo s PRO 69 Ca 0.24 0.99 -0.00 0.00 0.04 0.00 0.00 61.00 62.27 1sfo s PRO 69 Cb -0.15 -1.85 0.03 0.00 0.04 0.00 0.00 34.50 32.56 1sfo s PRO 69 CO 0.10 -1.96 -0.00 1.03 0.04 0.00 0.00 177.00 176.20 1sfo s ARG 70 N -4.92 0.46 0.74 4.56 0.52 -1.26 -3.29 118.95 115.75 1sfo s ARG 70 Ca 0.62 0.08 -0.05 0.00 -0.52 0.00 0.00 55.73 55.87 1sfo s ARG 70 Cb -0.18 -0.70 0.11 0.00 0.52 0.00 0.00 34.95 34.70 1sfo s ARG 70 CO 0.57 -0.20 1.03 -1.54 0.02 0.00 0.00 175.30 175.18 1sfo s SER 71 N 1.42 4.36 -0.39 0.23 1.04 -1.26 -5.02 113.70 114.07 1sfo s SER 71 Ca -0.04 -0.01 0.05 0.00 0.48 0.00 0.00 55.95 56.43 1sfo s SER 71 Cb -0.13 -0.44 0.47 0.00 0.10 0.00 0.00 66.02 66.02 1sfo s SER 71 CO -0.03 -1.86 1.49 -0.90 0.98 0.00 0.00 173.24 172.93 1sfo n ASP 72 N -2.96 4.95 -0.47 7.02 5.75 -1.26 -4.61 116.55 124.97 1sfo n ASP 72 Ca 0.12 -3.77 0.00 0.00 -0.01 0.00 0.00 54.79 51.13 1sfo n ASP 72 Cb 0.60 -0.59 0.00 0.00 -1.03 0.00 0.00 41.12 40.10 1sfo n ASP 72 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1sfo n ARG 73 N -0.89 3.70 -3.76 0.11 1.74 -1.26 -5.04 116.66 111.26 1sfo n ARG 73 Ca 0.46 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 57.42 1sfo n ARG 73 Cb 0.91 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 32.28 1sfo n ARG 73 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1sfo s GLU 74 N 0.87 0.76 0.21 5.56 2.02 -1.26 -4.48 118.70 122.39 1sfo s GLU 74 Ca 0.00 -0.41 0.05 0.00 0.02 0.00 0.00 54.97 54.63 1sfo s GLU 74 Cb 0.00 0.33 -0.03 0.00 0.10 0.00 0.00 34.13 34.53 1sfo s GLU 74 CO 0.00 -0.23 0.28 0.00 0.02 0.00 0.00 175.26 175.33 1sfo h PRO 76 N 1.61 0.00 0.00 0.00 0.11 -1.97 -3.10 132.00 128.64 1sfo h PRO 76 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1sfo h PRO 76 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1sfo h PRO 76 CO 0.63 0.86 0.00 1.63 -0.21 0.00 0.00 178.00 180.91 1sfo n LYS 77 N -3.29 0.00 0.00 1.05 5.02 -1.26 -4.62 118.16 115.06 1sfo n LYS 77 Ca -0.02 0.15 0.03 0.00 -2.02 0.00 0.00 58.31 56.45 1sfo n LYS 77 Cb 0.92 -0.76 0.15 0.00 -0.02 0.00 0.00 35.03 35.32 1sfo n LYS 77 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1sfo n HIS 79 N -0.85 0.00 -2.14 0.00 8.25 -1.17 -4.87 115.22 114.45 1sfo n HIS 79 Ca 0.04 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.20 1sfo n HIS 79 Cb 0.02 -0.19 0.01 0.00 1.12 0.00 0.00 29.99 30.94 1sfo n HIS 79 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1sfo s SER 80 N 0.00 6.16 -0.75 0.41 1.04 -1.26 -4.71 113.70 114.59 1sfo s SER 80 Ca 0.00 1.21 -0.01 0.00 0.48 0.00 0.00 55.95 57.63 1sfo s SER 80 Cb 0.00 -2.33 0.37 0.00 0.10 0.00 0.00 66.02 64.17 1sfo s SER 80 CO 0.00 -0.82 1.86 0.54 0.98 0.00 0.00 173.24 175.80 1sfo n ARG 81 N -2.60 2.88 -3.88 4.02 1.74 -1.26 -2.97 116.66 114.58 1sfo n ARG 81 Ca 0.04 -3.68 -0.29 0.00 -0.77 0.00 0.00 57.85 53.15 1sfo n ARG 81 Cb 0.55 -2.27 -0.16 0.00 -1.02 0.00 0.00 32.46 29.56 1sfo n ARG 81 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1sfo s GLU 82 N -3.95 1.34 0.00 5.56 0.41 -1.26 -4.80 118.70 116.00 1sfo s GLU 82 Ca 0.53 -0.79 0.00 0.00 -0.41 0.00 0.00 54.97 54.30 1sfo s GLU 82 Cb 0.44 -2.41 0.00 0.00 -1.78 0.00 0.00 34.13 30.38 1sfo s GLU 82 CO -0.33 -0.59 0.00 0.27 -0.49 0.00 0.00 175.26 174.12 1sfo n ASN 83 N 4.79 0.00 -3.41 -0.19 6.94 -1.26 0.44 115.26 122.57 1sfo n ASN 83 Ca -0.11 -0.48 0.02 0.00 -0.02 0.00 0.00 54.58 53.99 1sfo n ASN 83 Cb 0.45 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.82 1sfo n ASN 83 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1sfo s VAL 84 N -1.86 -0.18 0.00 3.53 0.11 -1.11 -4.57 120.40 116.32 1sfo s VAL 84 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 1sfo s VAL 84 Cb 0.00 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.85 1sfo s VAL 84 CO 0.00 0.00 0.00 2.22 -3.33 0.00 0.00 175.10 173.99 1sfo n PHE 85 N 4.27 0.00 0.00 1.54 1.16 -1.21 -2.08 117.46 121.14 1sfo n PHE 85 Ca -0.11 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.47 1sfo n PHE 85 Cb 0.55 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.42 1sfo n PHE 85 CO 0.00 0.00 0.00 1.97 -1.87 0.00 0.00 176.76 176.86 1sfo n PHE 86 N 0.00 0.00 -1.58 2.97 1.16 -1.12 -4.51 117.46 114.38 1sfo n PHE 86 Ca 0.00 0.00 -0.31 0.00 -1.87 0.00 0.00 57.45 55.27 1sfo n PHE 86 Cb 0.00 0.00 0.05 0.00 -1.61 0.00 0.00 39.48 37.92 1sfo n PHE 86 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 1sfo s GLN 87 N -2.00 2.93 0.03 3.97 -0.21 -1.26 -2.79 119.66 120.32 1sfo s GLN 87 Ca 0.00 0.98 -0.38 0.00 0.02 0.00 0.00 55.36 55.98 1sfo s GLN 87 Cb 0.00 -1.99 -0.18 0.00 1.00 0.00 0.00 33.01 31.84 1sfo s GLN 87 CO 0.00 -1.11 1.24 0.45 -2.12 0.00 0.00 175.29 173.75 1sfo n SER 88 N -3.08 0.93 -0.03 5.90 2.88 -1.21 -4.84 113.62 114.17 1sfo n SER 88 Ca 0.08 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.75 1sfo n SER 88 Cb 0.53 -1.06 0.00 0.00 -0.75 0.00 0.00 64.21 62.93 1sfo n SER 88 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1sfo n GLN 89 N 2.18 0.88 -3.00 -1.46 1.13 -0.95 -4.69 117.38 111.47 1sfo n GLN 89 Ca 0.20 0.00 -0.40 0.00 -1.94 0.00 0.00 57.00 54.86 1sfo n GLN 89 Cb 0.13 -1.03 -0.06 0.00 0.11 0.00 0.00 30.24 29.40 1sfo n GLN 89 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1sfo s GLN 90 N -1.94 4.51 -0.68 -1.09 -0.21 -1.24 -4.88 119.66 114.13 1sfo s GLN 90 Ca 0.00 1.08 0.05 0.00 0.02 0.00 0.00 55.36 56.51 1sfo s GLN 90 Cb 0.00 -3.31 0.28 0.00 1.00 0.00 0.00 33.01 30.98 1sfo s GLN 90 CO 0.00 0.44 0.88 0.54 -2.12 0.00 0.00 175.29 175.03 1sfo n ARG 91 N 2.20 2.93 -3.95 2.91 5.12 -1.26 -4.99 116.66 119.61 1sfo n ARG 91 Ca -0.04 -4.71 -0.28 0.00 -1.93 0.00 0.00 57.85 50.89 1sfo n ARG 91 Cb 0.50 -2.28 -0.04 0.00 -1.16 0.00 0.00 32.46 29.48 1sfo n ARG 91 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 1sfo s ARG 92 N -2.77 3.40 0.20 5.56 3.52 -1.26 -5.03 118.95 122.57 1sfo s ARG 92 Ca 0.41 -0.56 -0.10 0.00 -0.13 0.00 0.00 55.73 55.35 1sfo s ARG 92 Cb 0.17 -2.97 0.14 0.00 -1.56 0.00 0.00 34.95 30.73 1sfo s ARG 92 CO -0.03 0.55 1.83 0.87 -0.81 0.00 0.00 175.30 177.71 1sfo h LYS 93 N 2.51 1.02 -1.36 5.12 1.57 -2.05 -3.30 116.57 120.08 1sfo h LYS 93 Ca -0.47 -0.11 -0.38 0.00 -1.87 0.00 0.00 60.65 57.82 1sfo h LYS 93 Cb 1.18 -0.21 -0.17 0.00 0.08 0.00 0.00 32.23 33.12 1sfo h LYS 93 CO 0.71 0.74 0.49 -0.40 -0.57 0.00 0.00 179.45 180.42 1sfo n ASP 94 N -4.49 6.25 -4.92 0.86 3.85 -1.26 -5.02 116.55 111.83 1sfo n ASP 94 Ca 0.07 -3.17 -0.25 0.00 -0.71 0.00 0.00 54.79 50.72 1sfo n ASP 94 Cb 0.08 -0.99 -0.03 0.00 -1.35 0.00 0.00 41.12 38.82 1sfo n ASP 94 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 1sfo s THR 95 N -2.66 5.13 0.04 2.12 2.01 -1.24 -5.08 115.64 115.95 1sfo s THR 95 Ca 0.37 -0.82 -0.30 0.00 0.31 0.00 0.00 61.69 61.24 1sfo s THR 95 Cb 0.29 -3.66 -0.06 0.00 0.01 0.00 0.00 72.50 69.08 1sfo s THR 95 CO 0.00 -0.13 1.36 -0.94 -0.69 0.00 0.00 174.62 174.22 1sfo s SER 96 N -3.32 6.89 0.00 3.53 1.04 -1.26 -4.86 113.70 115.72 1sfo s SER 96 Ca 0.34 2.14 0.00 0.00 0.48 0.00 0.00 55.95 58.91 1sfo s SER 96 Cb -0.10 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.44 1sfo s SER 96 CO 0.27 -0.66 0.78 0.80 0.98 0.00 0.00 173.24 175.41 1sfo n MET 97 N 4.76 0.49 -2.15 4.02 1.56 -1.26 -4.59 117.12 119.96 1sfo n MET 97 Ca 0.12 0.00 -0.31 0.00 -0.27 0.00 0.00 57.70 57.24 1sfo n MET 97 Cb 0.44 -1.25 -0.00 0.00 2.15 0.00 0.00 33.22 34.55 1sfo n MET 97 CO 0.00 0.00 0.00 0.08 -0.73 0.00 0.00 175.97 175.32 1sfo s VAL 98 N 0.80 4.71 0.26 1.12 1.01 -1.26 -5.01 120.40 122.03 1sfo s VAL 98 Ca 0.00 0.83 0.08 0.00 0.00 0.00 0.00 61.98 62.89 1sfo s VAL 98 Cb 0.00 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.51 1sfo s VAL 98 CO 0.00 -0.97 0.09 -0.76 0.00 0.00 0.00 175.10 173.46 1sfo s LEU 99 N -4.81 3.47 -0.06 3.92 1.43 -1.26 -3.32 118.68 118.04 1sfo s LEU 99 Ca 0.54 -0.48 -0.05 0.00 -1.03 0.00 0.00 54.13 53.11 1sfo s LEU 99 Cb -0.11 -1.99 0.02 0.00 0.03 0.00 0.00 46.19 44.14 1sfo s LEU 99 CO 0.47 -0.03 0.15 -0.36 0.23 0.00 0.00 176.35 176.81 1sfo s PHE 100 N -2.25 -0.17 0.15 0.29 0.40 -1.12 -2.31 117.98 112.97 1sfo s PHE 100 Ca 0.32 0.43 0.10 0.00 -0.60 0.00 0.00 56.93 57.19 1sfo s PHE 100 Cb -0.07 0.04 -0.04 0.00 0.51 0.00 0.00 43.02 43.46 1sfo s PHE 100 CO 0.22 -0.10 -0.24 -0.06 0.70 0.00 0.00 175.22 175.74 1sfo s PHE 101 N 0.27 2.19 -0.20 0.36 0.40 0.29 -2.78 117.98 118.50 1sfo s PHE 101 Ca -0.02 -0.39 0.01 0.00 -0.60 0.00 0.00 56.93 55.94 1sfo s PHE 101 Cb -0.03 -1.15 0.04 0.00 0.51 0.00 0.00 43.02 42.40 1sfo s PHE 101 CO -0.01 0.36 -0.11 0.08 0.70 0.00 0.00 175.22 176.25 1sfo s VAL 102 N -1.33 1.70 0.93 -0.44 1.01 -0.89 -0.76 120.40 120.63 1sfo s VAL 102 Ca 0.15 -1.04 -0.12 0.00 0.00 0.00 0.00 61.98 60.97 1sfo s VAL 102 Cb -0.09 -1.76 0.15 0.00 0.00 0.00 0.00 36.38 34.68 1sfo s VAL 102 CO 0.07 0.18 1.09 0.00 0.00 0.00 0.00 175.10 176.44 1sfo n LEU 104 N -4.05 1.17 -0.32 0.00 4.77 0.17 -3.20 117.00 115.54 1sfo n LEU 104 Ca 0.07 -0.66 0.05 0.00 -0.03 0.00 0.00 56.01 55.44 1sfo n LEU 104 Cb 0.55 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.66 1sfo n LEU 104 CO 0.55 0.24 0.33 -1.20 -1.33 0.00 0.00 177.39 175.98 1sfo n SER 105 N -0.63 1.56 0.00 -1.43 7.64 -1.26 -4.47 113.62 115.03 1sfo n SER 105 Ca 0.05 -1.28 0.00 0.00 1.01 0.00 0.00 58.87 58.64 1sfo n SER 105 Cb 0.27 0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 1sfo n SER 105 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1sfo n SER 107 N 0.00 -0.21 -4.79 0.00 2.88 -1.19 -4.84 113.62 105.47 1sfo n SER 107 Ca 0.00 -0.91 -0.39 0.00 -1.33 0.00 0.00 58.87 56.24 1sfo n SER 107 Cb 0.49 -1.15 -0.06 0.00 -0.75 0.00 0.00 64.21 62.74 1sfo n SER 107 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 1sfo s HIS 108 N -3.38 3.85 -0.33 0.66 5.65 -1.25 -4.71 115.29 115.78 1sfo s HIS 108 Ca 0.27 1.53 -0.08 0.00 0.25 0.00 0.00 55.06 57.03 1sfo s HIS 108 Cb -0.16 -2.69 0.02 0.00 -1.18 0.00 0.00 32.58 28.57 1sfo s HIS 108 CO 0.73 0.50 0.14 0.42 -0.65 0.00 0.00 174.74 175.88 1sfo s ILE 109 N -1.20 4.19 0.35 0.89 1.09 -1.25 0.43 121.20 125.70 1sfo s ILE 109 Ca 0.36 -0.82 0.06 0.00 -1.10 0.00 0.00 60.65 59.14 1sfo s ILE 109 Cb -0.21 -3.27 -0.07 0.00 -1.06 0.00 0.00 42.46 37.85 1sfo s ILE 109 CO 0.24 -0.09 0.02 0.72 -0.10 0.00 0.00 174.94 175.73 1sfo s PHE 110 N 1.51 2.20 0.16 3.97 -0.12 0.06 -4.91 117.98 120.85 1sfo s PHE 110 Ca 0.02 -0.80 0.06 0.00 -0.05 0.00 0.00 56.93 56.16 1sfo s PHE 110 Cb -0.18 -1.46 -0.04 0.00 -0.63 0.00 0.00 43.02 40.70 1sfo s PHE 110 CO 0.04 0.23 -0.14 0.99 -0.05 0.00 0.00 175.22 176.30 1sfo s THR 111 N -3.01 1.48 -0.64 -4.49 2.01 -1.26 0.10 115.64 109.83 1sfo s THR 111 Ca 0.35 -1.98 0.26 0.00 0.31 0.00 0.00 61.69 60.62 1sfo s THR 111 Cb 0.08 -1.81 0.29 0.00 0.01 0.00 0.00 72.50 71.08 1sfo s THR 111 CO 0.16 -0.54 1.76 0.77 -0.69 0.00 0.00 174.62 176.07 1sfo h SER 112 N 3.00 0.00 -3.38 3.53 4.64 -1.84 -3.47 113.55 116.03 1sfo h SER 112 Ca -0.39 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.41 1sfo h SER 112 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1sfo h SER 112 CO 0.57 0.00 0.50 -0.62 -0.87 0.00 0.00 176.83 176.41 1sfo s ASP 113 N -4.68 7.19 -0.08 4.97 -1.08 -1.26 -4.89 116.67 116.84 1sfo s ASP 113 Ca 0.09 2.00 0.12 0.00 -0.52 0.00 0.00 52.55 54.24 1sfo s ASP 113 Cb 0.11 -2.59 -0.17 0.00 -1.46 0.00 0.00 42.92 38.81 1sfo s ASP 113 CO 0.57 -0.34 0.13 0.00 0.52 0.00 0.00 175.17 176.05 1sfo n GLN 114 N 3.27 1.43 0.00 4.34 6.02 -1.26 -4.93 117.38 126.25 1sfo n GLN 114 Ca 0.06 -0.05 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 1sfo n GLN 114 Cb 0.47 -1.31 0.00 0.00 1.02 0.00 0.00 30.24 30.42 1sfo n GLN 114 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1sfo n LYS 115 N -2.27 0.73 0.00 -1.09 5.02 -1.26 -4.94 118.16 114.35 1sfo n LYS 115 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.16 1sfo n LYS 115 Cb 0.69 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.70 1sfo n LYS 115 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1sfo n ASN 116 N 0.00 0.00 -4.91 4.39 3.02 -1.26 -4.98 115.26 111.52 1sfo n ASN 116 Ca 0.00 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.27 1sfo n ASN 116 Cb 0.00 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.15 1sfo n ASN 116 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1sfo s LYS 117 N 0.00 3.60 -0.27 3.52 1.02 -1.26 -4.99 119.74 121.36 1sfo s LYS 117 Ca 0.00 -0.01 -0.25 0.00 0.02 0.00 0.00 55.97 55.73 1sfo s LYS 117 Cb 0.00 -2.60 0.12 0.00 -0.52 0.00 0.00 37.83 34.83 1sfo s LYS 117 CO 0.00 0.13 1.00 1.03 -0.92 0.00 0.00 175.35 176.59 1sfo s ARG 118 N -3.87 0.54 0.00 1.68 0.52 -1.26 -5.02 118.95 111.54 1sfo s ARG 118 Ca 0.44 0.61 0.00 0.00 -0.52 0.00 0.00 55.73 56.26 1sfo s ARG 118 Cb -0.10 0.26 0.00 0.00 0.52 0.00 0.00 34.95 35.63 1sfo s ARG 118 CO 0.33 -0.07 0.66 2.41 0.02 0.00 0.00 175.30 178.64 1sfo n THR 119 N 2.18 0.36 -0.83 0.02 -1.04 -1.26 -5.12 114.28 108.59 1sfo n THR 119 Ca -0.12 -0.37 0.00 0.00 -2.04 0.00 0.00 64.05 61.52 1sfo n THR 119 Cb 0.56 0.87 0.00 0.00 -1.82 0.00 0.00 70.33 69.93 1sfo n THR 119 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43