#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1toq s LYS 2 N 0.00 4.05 0.62 1.61 2.20 0.08 -4.80 119.74 123.51 1toq s LYS 2 Ca 0.00 -0.05 -0.17 0.00 -0.36 0.00 0.00 55.97 55.39 1toq s LYS 2 Cb 0.00 -3.60 -0.02 0.00 -1.51 0.00 0.00 37.83 32.70 1toq s LYS 2 CO 0.00 -0.13 1.14 0.00 -0.36 0.00 0.00 175.35 175.99 1toq s ALA 3 N 1.63 2.52 0.09 3.13 0.00 -1.26 -2.05 121.76 125.82 1toq s ALA 3 Ca 0.13 0.73 -0.07 0.00 0.00 0.00 0.00 51.96 52.75 1toq s ALA 3 Cb -0.15 -3.36 -0.01 0.00 0.00 0.00 0.00 23.12 19.59 1toq s ALA 3 CO 0.08 -1.16 0.15 -0.59 0.00 0.00 0.00 175.76 174.25 1toq s PHE 4 N -2.02 0.28 -0.28 0.00 -0.71 0.52 -4.95 117.98 110.82 1toq s PHE 4 Ca 0.71 -0.73 0.01 0.00 -1.04 0.00 0.00 56.93 55.88 1toq s PHE 4 Cb -0.24 -0.14 0.17 0.00 -1.21 0.00 0.00 43.02 41.60 1toq s PHE 4 CO 0.36 -0.53 0.47 0.34 -1.34 0.00 0.00 175.22 174.52 1toq s ASP 5 N -2.89 -0.30 0.23 1.98 -1.08 -1.26 -1.03 116.67 112.32 1toq s ASP 5 Ca 0.07 0.04 -0.02 0.00 -0.52 0.00 0.00 52.55 52.13 1toq s ASP 5 Cb 0.05 1.44 0.23 0.00 -1.46 0.00 0.00 42.92 43.19 1toq s ASP 5 CO -0.09 -0.32 1.62 0.44 0.52 0.00 0.00 175.17 177.34 1toq h ASP 6 N 8.11 0.64 -4.93 -0.34 3.32 -1.67 -3.49 116.42 118.07 1toq h ASP 6 Ca -0.11 -0.26 0.00 0.00 0.02 0.00 0.00 57.03 56.68 1toq h ASP 6 Cb 1.15 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.52 1toq h ASP 6 CO 0.24 0.92 0.00 0.61 -1.72 0.00 0.00 179.24 179.29 1toq n GLY 7 N -0.13 -3.33 3.83 2.75 0.00 -1.26 -4.99 105.19 102.07 1toq n GLY 7 Ca -0.01 -2.05 -0.36 0.00 0.00 0.00 0.00 46.02 43.59 1toq n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1toq s ALA 8 N -1.34 3.74 0.00 4.61 0.00 -1.26 -4.17 121.76 123.35 1toq s ALA 8 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.27 1toq s ALA 8 Cb 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 23.12 21.28 1toq s ALA 8 CO 0.00 0.62 0.00 1.19 0.00 0.00 0.00 175.76 177.57 1toq n PHE 9 N 1.93 0.00 1.08 0.00 3.01 0.09 -5.00 117.46 118.57 1toq n PHE 9 Ca -0.19 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.39 1toq n PHE 9 Cb 0.54 0.00 0.17 0.00 -0.01 0.00 0.00 39.48 40.18 1toq n PHE 9 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1toq n THR 10 N 0.00 0.00 -2.35 4.37 -2.24 -0.31 -4.83 114.28 108.92 1toq n THR 10 Ca 0.00 -0.09 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1toq n THR 10 Cb 0.00 0.64 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 1toq n THR 10 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1toq n GLY 11 N 1.43 -1.48 3.12 3.38 0.00 -1.21 -4.93 105.19 105.50 1toq n GLY 11 Ca 0.08 -1.03 -0.26 0.00 0.00 0.00 0.00 46.02 44.81 1toq n GLY 11 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1toq s ILE 12 N -2.69 1.40 -0.17 -0.61 1.01 -1.26 -0.39 121.20 118.50 1toq s ILE 12 Ca 0.00 -0.70 0.01 0.00 0.00 0.00 0.00 60.65 59.96 1toq s ILE 12 Cb 0.00 -1.21 -0.11 0.00 0.01 0.00 0.00 42.46 41.15 1toq s ILE 12 CO 0.00 0.41 -0.15 0.54 0.00 0.00 0.00 174.94 175.73 1toq n ARG 13 N 3.20 0.42 -3.66 2.79 1.74 -0.02 -4.76 116.66 116.35 1toq n ARG 13 Ca -0.18 0.10 -0.14 0.00 -0.77 0.00 0.00 57.85 56.85 1toq n ARG 13 Cb 0.53 -1.33 -0.08 0.00 -1.02 0.00 0.00 32.46 30.56 1toq n ARG 13 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1toq s GLU 14 N -2.34 0.73 -0.13 5.56 2.12 -0.51 -0.94 118.70 123.18 1toq s GLU 14 Ca -0.23 0.57 0.02 0.00 0.36 0.00 0.00 54.97 55.70 1toq s GLU 14 Cb 0.06 0.35 0.01 0.00 0.26 0.00 0.00 34.13 34.80 1toq s GLU 14 CO 0.39 -0.13 -0.21 0.42 -0.54 0.00 0.00 175.26 175.18 1toq s ILE 15 N -0.15 2.15 -0.24 -3.70 1.01 0.63 -0.00 121.20 120.90 1toq s ILE 15 Ca -0.04 -0.96 -0.02 0.00 0.00 0.00 0.00 60.65 59.63 1toq s ILE 15 Cb -0.03 -1.86 0.02 0.00 0.01 0.00 0.00 42.46 40.60 1toq s ILE 15 CO 0.03 0.55 -0.05 0.20 0.00 0.00 0.00 174.94 175.66 1toq s ASN 16 N 0.72 4.31 0.24 3.58 -0.87 -0.01 0.45 114.94 123.35 1toq s ASN 16 Ca -0.09 -0.75 0.01 0.00 -1.57 0.00 0.00 52.86 50.46 1toq s ASN 16 Cb -0.16 -1.69 -0.05 0.00 -0.02 0.00 0.00 41.25 39.34 1toq s ASN 16 CO 0.00 -0.10 0.09 -1.48 -2.57 0.00 0.00 177.10 173.04 1toq s LEU 17 N 1.37 1.61 0.02 0.60 0.05 -0.47 -0.69 118.68 121.16 1toq s LEU 17 Ca 0.02 -1.36 0.00 0.00 0.05 0.00 0.00 54.13 52.84 1toq s LEU 17 Cb -0.16 0.08 -0.02 0.00 -2.05 0.00 0.00 46.19 44.05 1toq s LEU 17 CO -0.04 -0.73 -0.03 -0.94 -0.55 0.00 0.00 176.35 174.06 1toq s SER 18 N -3.27 0.26 0.25 1.48 1.04 -0.73 -0.26 113.70 112.47 1toq s SER 18 Ca 0.36 -0.39 -0.03 0.00 0.48 0.00 0.00 55.95 56.37 1toq s SER 18 Cb 0.07 0.07 -0.02 0.00 0.10 0.00 0.00 66.02 66.24 1toq s SER 18 CO 0.12 -0.22 0.30 -0.72 0.98 0.00 0.00 173.24 173.70 1toq s TYR 19 N -1.11 1.00 -0.06 5.02 1.13 -0.78 0.36 117.35 122.90 1toq s TYR 19 Ca -0.12 -1.23 -0.01 0.00 -1.41 0.00 0.00 57.07 54.31 1toq s TYR 19 Cb -0.08 -0.30 0.03 0.00 -1.10 0.00 0.00 41.96 40.51 1toq s TYR 19 CO -0.01 -0.84 -0.02 1.21 -2.51 0.00 0.00 175.55 173.39 1toq s ASN 20 N -3.16 1.39 0.00 -0.18 3.84 -0.94 0.40 114.94 116.29 1toq s ASN 20 Ca 0.33 -0.11 0.01 0.00 0.21 0.00 0.00 52.86 53.31 1toq s ASN 20 Cb 0.03 -0.46 0.04 0.00 -0.55 0.00 0.00 41.25 40.32 1toq s ASN 20 CO 0.14 -0.15 1.00 1.17 -2.79 0.00 0.00 177.10 176.47 1toq n LYS 21 N 4.78 0.00 -0.10 0.43 4.81 -1.26 -1.71 118.16 125.11 1toq n LYS 21 Ca -0.13 0.45 -0.11 0.00 -0.87 0.00 0.00 58.31 57.64 1toq n LYS 21 Cb 0.50 -1.50 -0.15 0.00 0.02 0.00 0.00 35.03 33.90 1toq n LYS 21 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1toq n GLU 22 N -1.46 0.69 0.00 1.64 1.02 -1.26 -4.60 120.64 116.67 1toq n GLU 22 Ca 0.00 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 1toq n GLU 22 Cb 0.01 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 29.91 1toq n GLU 22 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1toq n THR 23 N -2.82 0.00 -2.39 2.62 -2.24 -0.69 -5.00 114.28 103.76 1toq n THR 23 Ca -0.35 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 1toq n THR 23 Cb 1.14 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 69.20 1toq n THR 23 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1toq n ALA 24 N -3.00 0.00 -1.87 6.98 0.00 -1.21 -4.55 120.51 116.86 1toq n ALA 24 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1toq n ALA 24 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1toq n ALA 24 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1toq s ILE 25 N -2.97 3.96 0.00 0.00 -1.09 -0.88 -2.21 121.20 118.01 1toq s ILE 25 Ca 0.00 1.88 0.00 0.00 -2.23 0.00 0.00 60.65 60.30 1toq s ILE 25 Cb 0.00 -4.20 0.00 0.00 -1.58 0.00 0.00 42.46 36.68 1toq s ILE 25 CO 0.00 0.41 0.00 0.61 -1.23 0.00 0.00 174.94 174.73 1toq n GLY 26 N 1.60 0.53 3.78 6.18 0.00 0.16 -1.01 105.19 116.43 1toq n GLY 26 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1toq n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1toq s ASP 27 N 0.11 5.87 -0.11 1.61 1.01 -1.24 -4.39 116.67 119.53 1toq s ASP 27 Ca 0.00 2.16 -0.04 0.00 0.71 0.00 0.00 52.55 55.38 1toq s ASP 27 Cb 0.00 -2.58 0.05 0.00 1.01 0.00 0.00 42.92 41.40 1toq s ASP 27 CO 0.00 -1.11 0.23 0.12 0.21 0.00 0.00 175.17 174.61 1toq s PHE 28 N -1.77 -0.33 -0.14 4.23 5.36 -0.17 -1.77 117.98 123.39 1toq s PHE 28 Ca 0.71 0.81 -0.12 0.00 -0.96 0.00 0.00 56.93 57.37 1toq s PHE 28 Cb -0.23 -0.06 0.04 0.00 -0.34 0.00 0.00 43.02 42.42 1toq s PHE 28 CO 0.27 -0.29 0.37 -1.14 -1.46 0.00 0.00 175.22 172.97 1toq s GLN 29 N 2.00 0.42 0.01 10.12 0.74 0.13 -1.12 119.66 131.96 1toq s GLN 29 Ca -0.02 0.56 0.07 0.00 0.05 0.00 0.00 55.36 56.02 1toq s GLN 29 Cb -0.12 0.16 -0.02 0.00 1.10 0.00 0.00 33.01 34.13 1toq s GLN 29 CO -0.08 -0.07 -0.22 0.08 -0.55 0.00 0.00 175.29 174.44 1toq s VAL 30 N 0.43 1.79 -0.39 1.34 1.01 -1.26 -0.83 120.40 122.49 1toq s VAL 30 Ca -0.02 -1.11 -0.11 0.00 0.00 0.00 0.00 61.98 60.75 1toq s VAL 30 Cb -0.04 -1.52 0.04 0.00 0.00 0.00 0.00 36.38 34.87 1toq s VAL 30 CO -0.02 0.38 0.23 -0.69 0.00 0.00 0.00 175.10 175.00 1toq s VAL 31 N -0.66 4.52 0.61 2.92 1.01 0.99 0.13 120.40 129.92 1toq s VAL 31 Ca 0.09 -1.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 1toq s VAL 31 Cb -0.09 -3.59 0.05 0.00 0.00 0.00 0.00 36.38 32.75 1toq s VAL 31 CO 0.00 -0.32 0.86 -0.31 0.00 0.00 0.00 175.10 175.33 1toq s TYR 32 N 1.53 2.69 -0.13 5.22 2.02 0.53 -0.84 117.35 128.37 1toq s TYR 32 Ca 0.02 0.05 -0.04 0.00 -0.37 0.00 0.00 57.07 56.73 1toq s TYR 32 Cb -0.20 -2.89 -0.04 0.00 -0.40 0.00 0.00 41.96 38.43 1toq s TYR 32 CO 0.06 -1.12 0.03 0.34 -1.57 0.00 0.00 175.55 173.29 1toq s ASP 33 N -4.49 5.47 -0.47 2.29 2.15 0.48 0.00 116.67 122.10 1toq s ASP 33 Ca 0.59 0.14 0.03 0.00 0.43 0.00 0.00 52.55 53.75 1toq s ASP 33 Cb -0.10 -1.73 0.13 0.00 -0.30 0.00 0.00 42.92 40.92 1toq s ASP 33 CO 0.41 0.30 0.23 -0.22 -0.17 0.00 0.00 175.17 175.72 1toq s LEU 34 N -0.41 3.51 -1.25 -1.34 2.96 0.23 -1.16 118.68 121.21 1toq s LEU 34 Ca 0.09 -2.74 -0.01 0.00 -0.22 0.00 0.00 54.13 51.25 1toq s LEU 34 Cb -0.12 -1.33 0.00 0.00 0.50 0.00 0.00 46.19 45.24 1toq s LEU 34 CO 0.02 -0.26 0.91 0.59 -1.32 0.00 0.00 176.35 176.29 1toq n ASN 35 N 3.43 -2.05 0.00 3.68 5.03 -1.26 -2.44 115.26 121.66 1toq n ASN 35 Ca 0.06 -0.69 0.00 0.00 0.87 0.00 0.00 54.58 54.83 1toq n ASN 35 Cb 0.34 -4.74 0.00 0.00 -1.02 0.00 0.00 39.78 34.36 1toq n ASN 35 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1toq n GLY 36 N -1.34 1.19 3.23 7.41 0.00 -1.26 -5.05 105.19 109.37 1toq n GLY 36 Ca -0.27 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.52 1toq n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1toq s SER 37 N -2.89 2.27 0.51 1.61 0.01 -1.02 -5.12 113.70 109.07 1toq s SER 37 Ca 0.00 -0.57 -0.23 0.00 1.31 0.00 0.00 55.95 56.46 1toq s SER 37 Cb 0.00 -0.15 -0.06 0.00 0.21 0.00 0.00 66.02 66.02 1toq s SER 37 CO 0.00 0.08 1.39 -2.84 0.41 0.00 0.00 173.24 172.28 1toq s PRO 38 N -1.45 3.35 -0.16 12.44 0.02 -1.26 0.75 135.00 148.69 1toq s PRO 38 Ca 0.05 2.31 -0.01 0.00 0.02 0.00 0.00 61.00 63.37 1toq s PRO 38 Cb -0.09 -2.41 0.04 0.00 0.02 0.00 0.00 34.50 32.06 1toq s PRO 38 CO 0.03 -1.05 -0.05 -0.47 -0.33 0.00 0.00 177.00 175.13 1toq s TYR 39 N -1.26 1.60 -0.44 6.54 5.04 0.10 -4.73 117.35 124.19 1toq s TYR 39 Ca 0.67 -1.01 -0.29 0.00 -2.44 0.00 0.00 57.07 54.01 1toq s TYR 39 Cb -0.42 -1.27 0.02 0.00 0.35 0.00 0.00 41.96 40.65 1toq s TYR 39 CO 0.51 -0.60 1.16 0.08 -1.34 0.00 0.00 175.55 175.37 1toq s VAL 40 N 1.67 4.22 0.70 3.14 1.01 -1.26 -0.34 120.40 129.54 1toq s VAL 40 Ca 0.01 1.28 -0.12 0.00 0.00 0.00 0.00 61.98 63.15 1toq s VAL 40 Cb -0.15 -4.52 0.02 0.00 0.00 0.00 0.00 36.38 31.73 1toq s VAL 40 CO -0.08 -0.89 1.08 -0.83 0.00 0.00 0.00 175.10 174.39 1toq s GLY 41 N 2.49 1.82 0.39 4.51 0.00 0.12 -4.97 107.32 111.69 1toq s GLY 41 Ca 0.49 0.28 -0.27 0.00 0.00 0.00 0.00 44.72 45.22 1toq s GLY 41 CO 0.29 0.61 1.44 1.62 0.00 0.00 0.00 173.10 177.06 1toq s GLN 42 N -4.68 4.01 0.13 2.90 0.74 -1.26 -4.63 119.66 116.87 1toq s GLN 42 Ca 0.62 2.47 -0.30 0.00 0.05 0.00 0.00 55.36 58.19 1toq s GLN 42 Cb -0.17 -2.88 -0.07 0.00 1.10 0.00 0.00 33.01 31.00 1toq s GLN 42 CO 0.50 -0.57 1.12 1.21 -0.55 0.00 0.00 175.29 177.00 1toq s ASN 43 N -0.32 7.21 -0.46 6.67 2.47 -1.26 -4.58 114.94 124.67 1toq s ASN 43 Ca 0.55 2.03 0.02 0.00 0.42 0.00 0.00 52.86 55.88 1toq s ASN 43 Cb -0.44 -2.59 0.12 0.00 -1.45 0.00 0.00 41.25 36.88 1toq s ASN 43 CO 0.59 -0.30 0.21 -1.00 -3.72 0.00 0.00 177.10 172.88 1toq s HIS 44 N 0.27 3.48 0.19 0.43 3.76 -0.27 -5.02 115.29 118.12 1toq s HIS 44 Ca 0.52 -2.93 -0.07 0.00 -0.15 0.00 0.00 55.06 52.43 1toq s HIS 44 Cb -0.29 -2.98 -0.06 0.00 1.11 0.00 0.00 32.58 30.36 1toq s HIS 44 CO 0.33 -0.86 0.46 -1.54 -0.85 0.00 0.00 174.74 172.27 1toq s SER 45 N 0.59 6.55 0.67 1.40 1.04 -1.26 -1.00 113.70 121.68 1toq s SER 45 Ca 0.14 0.74 -0.16 0.00 0.48 0.00 0.00 55.95 57.15 1toq s SER 45 Cb -0.22 -2.15 0.01 0.00 0.10 0.00 0.00 66.02 63.75 1toq s SER 45 CO -0.04 -0.01 1.15 -0.55 0.98 0.00 0.00 173.24 174.77 1toq s SER 46 N -2.44 4.85 0.37 7.02 0.15 -1.26 -4.82 113.70 117.56 1toq s SER 46 Ca 0.44 2.18 0.27 0.00 0.70 0.00 0.00 55.95 59.54 1toq s SER 46 Cb -0.12 -2.57 1.20 0.00 -1.71 0.00 0.00 66.02 62.82 1toq s SER 46 CO 0.23 -1.81 1.81 -0.26 1.20 0.00 0.00 173.24 174.41 1toq h PHE 47 N 0.10 0.00 -4.61 3.44 0.04 -1.07 -3.45 116.94 111.40 1toq h PHE 47 Ca -0.48 0.00 -0.44 0.00 2.80 0.00 0.00 57.97 59.85 1toq h PHE 47 Cb 1.27 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 39.33 1toq h PHE 47 CO 0.51 0.00 -0.33 0.44 -0.60 0.00 0.00 178.31 178.32 1toq n ILE 48 N -2.50 0.00 -4.01 -0.55 -5.35 -1.26 -5.00 119.36 100.69 1toq n ILE 48 Ca 0.01 -1.69 -0.00 0.00 -0.27 0.00 0.00 62.75 60.80 1toq n ILE 48 Cb 0.21 0.43 -0.00 0.00 -1.74 0.00 0.00 39.64 38.54 1toq n ILE 48 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1toq n SER 49 N -1.38 1.70 0.00 7.28 7.64 -1.26 -4.92 113.62 122.68 1toq n SER 49 Ca -0.11 -1.03 0.00 0.00 1.01 0.00 0.00 58.87 58.74 1toq n SER 49 Cb 0.45 0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 1toq n SER 49 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1toq n GLY 50 N 4.14 0.90 3.93 0.23 0.00 -1.26 -5.09 105.19 108.03 1toq n GLY 50 Ca -0.00 -0.42 -0.22 0.00 0.00 0.00 0.00 46.02 45.38 1toq n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1toq s PHE 51 N -2.00 3.36 -0.37 1.61 0.08 -1.26 -4.83 117.98 114.57 1toq s PHE 51 Ca 0.00 -0.03 -0.17 0.00 0.12 0.00 0.00 56.93 56.86 1toq s PHE 51 Cb 0.00 -1.54 -0.00 0.00 -0.57 0.00 0.00 43.02 40.91 1toq s PHE 51 CO 0.00 0.47 0.42 0.99 -0.10 0.00 0.00 175.22 177.00 1toq s THR 52 N -1.98 5.10 0.45 0.64 2.01 0.16 -4.83 115.64 117.19 1toq s THR 52 Ca 0.34 0.01 -0.23 0.00 0.31 0.00 0.00 61.69 62.11 1toq s THR 52 Cb -0.09 -3.92 -0.07 0.00 0.01 0.00 0.00 72.50 68.42 1toq s THR 52 CO 0.28 -0.22 1.20 -2.16 -0.69 0.00 0.00 174.62 173.02 1toq s PRO 53 N 2.16 3.77 -0.01 4.92 0.04 -1.26 -1.87 135.00 142.74 1toq s PRO 53 Ca 0.14 1.86 0.01 0.00 0.04 0.00 0.00 61.00 63.05 1toq s PRO 53 Cb -0.16 -2.47 0.01 0.00 0.04 0.00 0.00 34.50 31.92 1toq s PRO 53 CO 0.13 -0.57 -0.03 0.08 0.04 0.00 0.00 177.00 176.65 1toq s VAL 54 N -1.48 0.28 -0.23 -0.36 1.01 0.64 -4.96 120.40 115.31 1toq s VAL 54 Ca 0.63 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.52 1toq s VAL 54 Cb -0.31 -0.28 0.03 0.00 0.00 0.00 0.00 36.38 35.82 1toq s VAL 54 CO 0.38 0.11 -0.11 -0.75 0.00 0.00 0.00 175.10 174.72 1toq s LYS 55 N 0.29 2.69 -0.47 2.72 2.20 -1.26 -1.36 119.74 124.55 1toq s LYS 55 Ca -0.03 -1.05 -0.08 0.00 -0.36 0.00 0.00 55.97 54.45 1toq s LYS 55 Cb -0.06 -2.84 0.12 0.00 -1.51 0.00 0.00 37.83 33.54 1toq s LYS 55 CO -0.01 -0.40 0.33 0.42 -0.36 0.00 0.00 175.35 175.33 1toq s ILE 56 N 1.25 4.10 -0.41 5.43 1.01 0.17 -4.99 121.20 127.76 1toq s ILE 56 Ca -0.01 -1.84 -0.19 0.00 0.00 0.00 0.00 60.65 58.61 1toq s ILE 56 Cb -0.17 -3.71 0.01 0.00 0.01 0.00 0.00 42.46 38.61 1toq s ILE 56 CO -0.07 -0.77 0.53 -0.44 0.00 0.00 0.00 174.94 174.19 1toq s SER 57 N 2.55 6.27 0.04 3.58 0.01 -1.26 -0.27 113.70 124.63 1toq s SER 57 Ca 0.06 -0.38 -0.07 0.00 1.31 0.00 0.00 55.95 56.88 1toq s SER 57 Cb -0.26 -2.27 -0.05 0.00 0.21 0.00 0.00 66.02 63.66 1toq s SER 57 CO -0.01 -0.62 0.31 -0.76 0.41 0.00 0.00 173.24 172.57 1toq s LEU 58 N 2.44 4.35 -1.31 2.44 1.02 -0.11 -4.99 118.68 122.52 1toq s LEU 58 Ca 0.17 0.60 -0.14 0.00 0.02 0.00 0.00 54.13 54.78 1toq s LEU 58 Cb -0.16 -2.83 0.11 0.00 0.02 0.00 0.00 46.19 43.34 1toq s LEU 58 CO 0.15 0.21 1.81 -0.67 0.02 0.00 0.00 176.35 177.87 1toq n ASP 59 N 0.91 4.81 -4.77 2.29 2.03 -1.26 -4.83 116.55 115.73 1toq n ASP 59 Ca -0.09 -2.97 -0.39 0.00 0.52 0.00 0.00 54.79 51.86 1toq n ASP 59 Cb 0.52 -1.61 -0.04 0.00 -0.72 0.00 0.00 41.12 39.27 1toq n ASP 59 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1toq s PHE 60 N 2.32 3.45 -0.60 -0.67 2.19 -1.26 0.15 117.98 123.56 1toq s PHE 60 Ca 0.46 1.67 0.13 0.00 0.33 0.00 0.00 56.93 59.53 1toq s PHE 60 Cb 0.06 -3.25 0.70 0.00 -1.31 0.00 0.00 43.02 39.22 1toq s PHE 60 CO 0.00 -0.63 1.58 -0.35 1.83 0.00 0.00 175.22 177.65 1toq n PRO 61 N 0.73 4.14 0.08 10.12 -0.04 -1.26 -4.88 135.00 143.89 1toq n PRO 61 Ca 0.01 -2.71 -0.08 0.00 -0.04 0.00 0.00 63.50 60.69 1toq n PRO 61 Cb 0.46 -2.07 -0.06 0.00 -0.04 0.00 0.00 33.50 31.79 1toq n PRO 61 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1toq h SER 62 N 3.56 0.11 -3.18 3.54 0.02 -1.24 -3.43 113.55 112.94 1toq h SER 62 Ca 0.00 -0.11 -0.63 0.00 -0.84 0.00 0.00 61.79 60.21 1toq h SER 62 Cb 1.66 -0.04 -0.14 0.00 0.14 0.00 0.00 62.40 64.02 1toq h SER 62 CO 0.37 1.01 -0.55 -0.70 -1.14 0.00 0.00 176.83 175.81 1toq s GLU 63 N -2.92 3.75 -0.03 3.45 2.12 0.12 -4.94 118.70 120.26 1toq s GLU 63 Ca -0.01 -0.31 -0.20 0.00 0.36 0.00 0.00 54.97 54.82 1toq s GLU 63 Cb 0.10 -3.16 0.04 0.00 0.26 0.00 0.00 34.13 31.37 1toq s GLU 63 CO 0.82 0.43 0.43 1.52 -0.54 0.00 0.00 175.26 177.92 1toq s TYR 64 N -0.06 -0.34 0.30 5.30 -0.85 -1.26 -4.23 117.35 116.21 1toq s TYR 64 Ca 0.07 0.56 -0.30 0.00 -0.52 0.00 0.00 57.07 56.88 1toq s TYR 64 Cb -0.12 0.19 -0.11 0.00 0.38 0.00 0.00 41.96 42.30 1toq s TYR 64 CO 0.01 -0.45 1.58 0.42 -1.52 0.00 0.00 175.55 175.59 1toq s ILE 65 N -1.23 2.08 -0.00 -3.49 1.01 -1.26 -2.39 121.20 115.91 1toq s ILE 65 Ca -0.12 0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.59 1toq s ILE 65 Cb -0.04 -3.04 -0.00 0.00 0.01 0.00 0.00 42.46 39.39 1toq s ILE 65 CO 0.06 0.01 0.26 0.35 0.00 0.00 0.00 174.94 175.61 1toq n THR 66 N 2.06 0.00 -3.64 2.92 -2.24 0.10 -4.74 114.28 108.74 1toq n THR 66 Ca 0.08 -0.50 -0.05 0.00 -2.27 0.00 0.00 64.05 61.31 1toq n THR 66 Cb 0.38 1.00 -0.07 0.00 -2.10 0.00 0.00 70.33 69.54 1toq n THR 66 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1toq s GLU 67 N -0.49 0.43 -0.08 -0.78 2.12 -0.98 -1.24 118.70 117.68 1toq s GLU 67 Ca 0.00 0.65 0.04 0.00 0.36 0.00 0.00 54.97 56.02 1toq s GLU 67 Cb 0.00 0.13 -0.01 0.00 0.26 0.00 0.00 34.13 34.51 1toq s GLU 67 CO 0.00 -0.07 -0.20 0.08 -0.54 0.00 0.00 175.26 174.52 1toq s VAL 68 N 0.95 2.46 0.16 3.70 1.01 -1.06 -0.17 120.40 127.44 1toq s VAL 68 Ca -0.05 -0.91 -0.07 0.00 0.00 0.00 0.00 61.98 60.96 1toq s VAL 68 Cb -0.04 -1.95 -0.02 0.00 0.00 0.00 0.00 36.38 34.37 1toq s VAL 68 CO -0.12 0.56 0.24 -0.94 0.00 0.00 0.00 175.10 174.84 1toq s SER 69 N -0.03 0.09 0.00 3.32 1.04 -0.51 -0.50 113.70 117.10 1toq s SER 69 Ca -0.06 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.41 1toq s SER 69 Cb -0.15 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.39 1toq s SER 69 CO 0.05 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 174.01 1toq n GLY 70 N -0.20 -0.93 2.96 7.32 0.00 -0.78 0.33 105.19 113.88 1toq n GLY 70 Ca -0.06 -0.77 -0.16 0.00 0.00 0.00 0.00 46.02 45.02 1toq n GLY 70 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1toq s TYR 71 N -3.00 0.50 0.08 1.61 2.02 -0.86 -1.90 117.35 115.80 1toq s TYR 71 Ca 0.00 -0.09 0.06 0.00 -0.37 0.00 0.00 57.07 56.67 1toq s TYR 71 Cb 0.00 -0.33 -0.04 0.00 -0.40 0.00 0.00 41.96 41.19 1toq s TYR 71 CO 0.00 -0.02 -0.08 0.95 -1.57 0.00 0.00 175.55 174.83 1toq s THR 72 N -0.06 3.49 0.02 -0.71 -4.23 0.12 -0.30 115.64 113.96 1toq s THR 72 Ca 0.01 -1.13 -0.29 0.00 -1.18 0.00 0.00 61.69 59.11 1toq s THR 72 Cb -0.03 -2.61 0.11 0.00 1.34 0.00 0.00 72.50 71.31 1toq s THR 72 CO -0.00 0.18 1.23 -0.83 -0.54 0.00 0.00 174.62 174.66 1toq s GLY 73 N -2.03 -0.29 -0.16 3.99 0.00 -0.02 -0.31 107.32 108.50 1toq s GLY 73 Ca 0.21 0.41 -0.26 0.00 0.00 0.00 0.00 44.72 45.07 1toq s GLY 73 CO 0.13 1.47 0.88 0.21 0.00 0.00 0.00 173.10 175.79 1toq s ASN 74 N -3.19 7.03 -0.13 1.64 2.47 -1.25 0.17 114.94 121.67 1toq s ASN 74 Ca 0.18 1.27 -0.02 0.00 0.42 0.00 0.00 52.86 54.70 1toq s ASN 74 Cb 0.02 -2.48 0.04 0.00 -1.45 0.00 0.00 41.25 37.39 1toq s ASN 74 CO -0.02 -0.43 0.02 -0.69 -3.72 0.00 0.00 177.10 172.26 1toq s VAL 75 N 2.19 0.46 -1.48 -5.21 1.01 0.23 -4.81 120.40 112.79 1toq s VAL 75 Ca 0.41 -0.22 -0.12 0.00 0.00 0.00 0.00 61.98 62.04 1toq s VAL 75 Cb -0.17 -0.79 0.08 0.00 0.00 0.00 0.00 36.38 35.50 1toq s VAL 75 CO 0.13 0.02 0.78 -1.20 0.00 0.00 0.00 175.10 174.84 1toq n SER 76 N 5.10 -4.56 0.00 3.32 7.64 -1.26 -0.56 113.62 123.30 1toq n SER 76 Ca -0.08 -0.62 0.00 0.00 1.01 0.00 0.00 58.87 59.18 1toq n SER 76 Cb 0.49 -3.68 0.00 0.00 -1.01 0.00 0.00 64.21 60.00 1toq n SER 76 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1toq n GLY 77 N -1.50 0.95 3.65 0.23 0.00 -1.26 -5.05 105.19 102.21 1toq n GLY 77 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 1toq n GLY 77 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1toq s TYR 78 N -2.32 3.14 -0.22 1.61 2.02 0.27 -5.06 117.35 116.79 1toq s TYR 78 Ca 0.00 0.11 -0.29 0.00 -0.37 0.00 0.00 57.07 56.53 1toq s TYR 78 Cb 0.00 -1.83 0.01 0.00 -0.40 0.00 0.00 41.96 39.74 1toq s TYR 78 CO 0.00 0.38 1.02 0.08 -1.57 0.00 0.00 175.55 175.46 1toq s VAL 79 N -0.64 4.70 0.35 0.71 1.01 -1.26 0.78 120.40 126.05 1toq s VAL 79 Ca 0.10 2.00 0.05 0.00 0.00 0.00 0.00 61.98 64.13 1toq s VAL 79 Cb -0.12 -4.30 -0.03 0.00 0.00 0.00 0.00 36.38 31.94 1toq s VAL 79 CO 0.02 -0.16 0.20 0.68 0.00 0.00 0.00 175.10 175.85 1toq s VAL 80 N 3.07 0.25 -0.54 2.92 -7.23 0.13 -4.79 120.40 114.20 1toq s VAL 80 Ca 0.44 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 58.40 1toq s VAL 80 Cb -0.15 -2.44 0.06 0.00 0.56 0.00 0.00 36.38 34.40 1toq s VAL 80 CO 0.07 0.00 0.75 -0.69 -0.31 0.00 0.00 175.10 174.92 1toq s VAL 81 N -3.42 4.69 -0.46 1.32 1.01 -0.21 -0.84 120.40 122.48 1toq s VAL 81 Ca 0.34 -0.33 0.23 0.00 0.00 0.00 0.00 61.98 62.22 1toq s VAL 81 Cb 0.03 -4.42 0.26 0.00 0.00 0.00 0.00 36.38 32.25 1toq s VAL 81 CO 0.21 -0.99 1.53 0.03 0.00 0.00 0.00 175.10 175.88 1toq h ARG 82 N 9.16 0.00 -2.08 2.72 3.08 -0.94 -2.34 114.38 123.97 1toq h ARG 82 Ca -0.27 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.73 1toq h ARG 82 Cb 1.09 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 30.95 1toq h ARG 82 CO 1.03 0.00 0.21 0.45 -1.07 0.00 0.00 179.97 180.59 1toq s SER 83 N -5.74 -0.64 -0.00 7.04 0.15 -1.15 -1.10 113.70 112.25 1toq s SER 83 Ca 0.06 0.63 -0.00 0.00 0.70 0.00 0.00 55.95 57.34 1toq s SER 83 Cb 0.07 0.53 0.00 0.00 -1.71 0.00 0.00 66.02 64.92 1toq s SER 83 CO 0.68 -0.63 0.01 -0.76 1.20 0.00 0.00 173.24 173.74 1toq s LEU 84 N -1.35 1.96 -0.05 3.45 1.02 -0.99 -2.02 118.68 120.69 1toq s LEU 84 Ca -0.09 0.02 0.02 0.00 0.02 0.00 0.00 54.13 54.10 1toq s LEU 84 Cb -0.00 0.03 0.01 0.00 0.02 0.00 0.00 46.19 46.25 1toq s LEU 84 CO 0.07 -0.00 -0.11 -0.89 0.02 0.00 0.00 176.35 175.44 1toq s THR 85 N 0.00 0.99 -0.24 5.49 2.01 0.15 -1.93 115.64 122.12 1toq s THR 85 Ca -0.00 -0.41 -0.02 0.00 0.31 0.00 0.00 61.69 61.57 1toq s THR 85 Cb -0.00 -0.91 0.02 0.00 0.01 0.00 0.00 72.50 71.62 1toq s THR 85 CO 0.00 0.32 -0.07 -0.36 -0.69 0.00 0.00 174.62 173.81 1toq s PHE 86 N 0.58 3.02 -0.17 4.92 0.40 0.68 -1.42 117.98 125.98 1toq s PHE 86 Ca -0.11 -1.46 -0.07 0.00 -0.60 0.00 0.00 56.93 54.68 1toq s PHE 86 Cb -0.14 -2.05 -0.04 0.00 0.51 0.00 0.00 43.02 41.30 1toq s PHE 86 CO 0.02 -0.71 0.06 0.21 0.70 0.00 0.00 175.22 175.50 1toq s LYS 87 N 1.35 3.91 0.34 0.44 2.20 0.75 -0.62 119.74 128.11 1toq s LYS 87 Ca 0.02 -0.35 0.04 0.00 -0.36 0.00 0.00 55.97 55.32 1toq s LYS 87 Cb -0.16 -3.18 0.04 0.00 -1.51 0.00 0.00 37.83 33.02 1toq s LYS 87 CO -0.05 0.31 0.32 0.25 -0.36 0.00 0.00 175.35 175.81 1toq n THR 88 N 3.42 0.00 0.60 3.43 -2.24 0.32 0.03 114.28 119.83 1toq n THR 88 Ca -0.17 -1.30 0.13 0.00 -2.27 0.00 0.00 64.05 60.44 1toq n THR 88 Cb 0.52 -0.34 0.45 0.00 -2.10 0.00 0.00 70.33 68.86 1toq n THR 88 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1toq n ASN 89 N -2.09 0.65 -0.09 3.42 6.94 -1.01 -3.77 115.26 119.32 1toq n ASN 89 Ca 0.02 0.59 -0.13 0.00 -0.02 0.00 0.00 54.58 55.04 1toq n ASN 89 Cb 0.38 -0.75 -0.08 0.00 -2.36 0.00 0.00 39.78 36.97 1toq n ASN 89 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1toq n LYS 90 N -2.14 0.43 -4.03 -3.83 5.02 -1.26 -5.07 118.16 107.28 1toq n LYS 90 Ca 0.05 0.11 -0.10 0.00 -2.02 0.00 0.00 58.31 56.35 1toq n LYS 90 Cb 0.36 -1.33 -0.06 0.00 -0.02 0.00 0.00 35.03 33.98 1toq n LYS 90 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1toq s LYS 91 N -2.35 1.49 -0.19 1.97 2.20 -1.25 -5.15 119.74 116.46 1toq s LYS 91 Ca -0.24 -1.32 -0.03 0.00 -0.36 0.00 0.00 55.97 54.03 1toq s LYS 91 Cb 0.06 0.44 -0.01 0.00 -1.51 0.00 0.00 37.83 36.81 1toq s LYS 91 CO 0.39 -0.60 -0.07 0.99 -0.36 0.00 0.00 175.35 175.70 1toq s THR 92 N -4.04 3.30 -0.24 3.43 2.01 -1.26 0.12 115.64 118.95 1toq s THR 92 Ca 0.25 -0.54 -0.04 0.00 0.31 0.00 0.00 61.69 61.67 1toq s THR 92 Cb 0.01 -2.46 0.00 0.00 0.01 0.00 0.00 72.50 70.05 1toq s THR 92 CO 0.10 0.46 -0.01 -0.31 -0.69 0.00 0.00 174.62 174.16 1toq s TYR 93 N 1.08 3.03 0.00 4.92 2.02 0.21 -5.00 117.35 123.61 1toq s TYR 93 Ca 0.01 -1.04 0.00 0.00 -0.37 0.00 0.00 57.07 55.67 1toq s TYR 93 Cb -0.15 -2.14 0.00 0.00 -0.40 0.00 0.00 41.96 39.28 1toq s TYR 93 CO -0.01 -0.58 0.00 0.41 -1.57 0.00 0.00 175.55 173.80 1toq n GLY 94 N 4.79 -0.03 3.76 0.71 0.00 -1.26 -0.23 105.19 112.94 1toq n GLY 94 Ca -0.17 -2.26 -0.35 0.00 0.00 0.00 0.00 46.02 43.24 1toq n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1toq s PRO 95 N 0.00 3.05 -0.13 1.61 0.04 -1.26 -4.98 135.00 133.32 1toq s PRO 95 Ca 0.00 1.66 -0.00 0.00 0.04 0.00 0.00 61.00 62.70 1toq s PRO 95 Cb 0.00 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.57 1toq s PRO 95 CO 0.00 -1.11 -0.13 0.71 0.04 0.00 0.00 177.00 176.51 1toq s TYR 96 N -1.82 2.81 0.00 0.56 2.02 -0.81 -4.98 117.35 115.13 1toq s TYR 96 Ca 0.73 -0.69 0.00 0.00 -0.37 0.00 0.00 57.07 56.75 1toq s TYR 96 Cb -0.26 -1.85 0.00 0.00 -0.40 0.00 0.00 41.96 39.45 1toq s TYR 96 CO 0.33 -0.24 0.00 0.41 -1.57 0.00 0.00 175.55 174.47 1toq n GLY 97 N 3.60 -1.26 3.56 0.71 0.00 -1.26 -2.35 105.19 108.19 1toq n GLY 97 Ca -0.18 -1.95 -0.37 0.00 0.00 0.00 0.00 46.02 43.52 1toq n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1toq s VAL 98 N 0.00 4.93 -1.27 1.61 1.01 -0.26 -4.84 120.40 121.58 1toq s VAL 98 Ca 0.00 0.04 -0.09 0.00 0.00 0.00 0.00 61.98 61.93 1toq s VAL 98 Cb 0.00 -3.31 0.17 0.00 0.00 0.00 0.00 36.38 33.24 1toq s VAL 98 CO 0.00 0.32 1.90 0.35 0.00 0.00 0.00 175.10 177.66 1toq n THR 99 N 4.72 4.50 -3.98 3.92 -2.24 -1.26 -4.04 114.28 115.90 1toq n THR 99 Ca -0.15 -4.50 -0.11 0.00 -2.27 0.00 0.00 64.05 57.02 1toq n THR 99 Cb 0.52 -2.31 -0.12 0.00 -2.10 0.00 0.00 70.33 66.32 1toq n THR 99 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1toq s SER 100 N 0.60 0.32 0.00 3.42 0.01 -1.26 -5.09 113.70 111.70 1toq s SER 100 Ca 0.40 -0.37 0.00 0.00 1.31 0.00 0.00 55.95 57.29 1toq s SER 100 Cb 0.10 0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.39 1toq s SER 100 CO 0.00 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.07 1toq n GLY 101 N 1.99 0.23 3.65 3.44 0.00 -1.26 -4.62 105.19 108.62 1toq n GLY 101 Ca -0.20 -1.97 -0.37 0.00 0.00 0.00 0.00 46.02 43.48 1toq n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1toq s THR 102 N -0.31 5.32 0.59 2.61 2.01 0.57 -4.89 115.64 121.54 1toq s THR 102 Ca 0.00 0.27 -0.15 0.00 0.31 0.00 0.00 61.69 62.13 1toq s THR 102 Cb 0.00 -3.54 -0.04 0.00 0.01 0.00 0.00 72.50 68.92 1toq s THR 102 CO 0.00 0.32 1.03 -2.16 -0.69 0.00 0.00 174.62 173.12 1toq s PRO 103 N 1.20 3.49 0.04 4.92 0.04 -1.26 -0.70 135.00 142.72 1toq s PRO 103 Ca 0.09 1.03 -0.09 0.00 0.04 0.00 0.00 61.00 62.07 1toq s PRO 103 Cb -0.14 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.34 1toq s PRO 103 CO 0.06 -0.66 0.18 -0.59 0.04 0.00 0.00 177.00 176.03 1toq s PHE 104 N -2.70 0.06 -0.21 0.56 -0.12 -0.80 -4.90 117.98 109.88 1toq s PHE 104 Ca 0.60 -0.28 -0.26 0.00 -0.05 0.00 0.00 56.93 56.94 1toq s PHE 104 Cb -0.13 -0.04 0.07 0.00 -0.63 0.00 0.00 43.02 42.29 1toq s PHE 104 CO 0.40 -0.41 0.69 0.54 -0.05 0.00 0.00 175.22 176.39 1toq s ASN 105 N -2.04 -0.71 -0.56 1.98 4.22 -1.26 -1.87 114.94 114.70 1toq s ASN 105 Ca -0.06 1.24 0.04 0.00 -2.14 0.00 0.00 52.86 51.94 1toq s ASN 105 Cb -0.02 1.21 0.16 0.00 1.28 0.00 0.00 41.25 43.89 1toq s ASN 105 CO -0.03 -0.33 0.40 -0.22 -2.04 0.00 0.00 177.10 174.87 1toq s LEU 106 N -0.02 3.25 0.15 3.54 1.98 0.34 -5.00 118.68 122.92 1toq s LEU 106 Ca -0.03 -3.39 -0.30 0.00 -2.89 0.00 0.00 54.13 47.52 1toq s LEU 106 Cb -0.04 -1.10 -0.07 0.00 0.66 0.00 0.00 46.19 45.64 1toq s LEU 106 CO 0.03 -0.14 1.11 -2.16 -1.89 0.00 0.00 176.35 173.30 1toq s PRO 107 N -0.64 4.56 -0.26 0.98 0.04 -1.26 -2.57 135.00 135.85 1toq s PRO 107 Ca 0.27 1.72 -0.06 0.00 0.04 0.00 0.00 61.00 62.97 1toq s PRO 107 Cb -0.04 -3.29 -0.01 0.00 0.04 0.00 0.00 34.50 31.20 1toq s PRO 107 CO -0.16 0.02 0.04 0.42 0.04 0.00 0.00 177.00 177.36 1toq s ILE 108 N -0.00 3.88 -0.00 0.56 1.01 -0.37 -4.98 121.20 121.29 1toq s ILE 108 Ca 0.51 -0.49 -0.01 0.00 0.00 0.00 0.00 60.65 60.66 1toq s ILE 108 Cb -0.29 -2.88 -0.27 0.00 0.01 0.00 0.00 42.46 39.03 1toq s ILE 108 CO 0.34 0.25 0.83 -0.08 0.00 0.00 0.00 174.94 176.28 1toq h GLU 109 N 8.20 0.20 -2.80 2.79 4.81 -1.96 -3.47 114.58 122.35 1toq h GLU 109 Ca -0.36 -0.35 -0.17 0.00 -0.13 0.00 0.00 59.36 58.35 1toq h GLU 109 Cb 1.15 0.13 -0.30 0.00 0.63 0.00 0.00 28.75 30.36 1toq h GLU 109 CO 0.59 1.04 -0.45 1.21 -0.73 0.00 0.00 179.01 180.67 1toq s ASN 110 N -6.86 -0.06 0.00 1.04 2.47 -1.26 -5.12 114.94 105.15 1toq s ASN 110 Ca -0.09 0.70 0.00 0.00 0.42 0.00 0.00 52.86 53.89 1toq s ASN 110 Cb 0.07 0.76 0.00 0.00 -1.45 0.00 0.00 41.25 40.63 1toq s ASN 110 CO 0.84 -0.21 0.00 0.61 -3.72 0.00 0.00 177.10 174.62 1toq n GLY 111 N 4.89 0.87 3.15 1.21 0.00 -1.26 -4.99 105.19 109.06 1toq n GLY 111 Ca -0.14 -2.18 -0.12 0.00 0.00 0.00 0.00 46.02 43.57 1toq n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1toq s LEU 112 N 0.00 1.14 -0.22 0.99 1.02 0.41 -4.96 118.68 117.05 1toq s LEU 112 Ca 0.00 0.22 -0.29 0.00 0.02 0.00 0.00 54.13 54.08 1toq s LEU 112 Cb 0.00 0.90 0.01 0.00 0.02 0.00 0.00 46.19 47.12 1toq s LEU 112 CO 0.00 -0.25 1.04 -0.63 0.02 0.00 0.00 176.35 176.53 1toq s ILE 113 N -0.61 4.69 -0.02 -0.59 1.01 -1.26 -1.34 121.20 123.07 1toq s ILE 113 Ca -0.07 2.03 0.03 0.00 0.00 0.00 0.00 60.65 62.64 1toq s ILE 113 Cb -0.04 -4.31 0.05 0.00 0.01 0.00 0.00 42.46 38.17 1toq s ILE 113 CO 0.02 -0.17 1.00 1.33 0.00 0.00 0.00 174.94 177.11 1toq n VAL 114 N 5.28 1.09 0.00 2.92 0.24 -0.44 -4.52 118.33 122.90 1toq n VAL 114 Ca 0.12 -1.15 0.00 0.00 -2.04 0.00 0.00 64.34 61.26 1toq n VAL 114 Cb 0.46 0.40 0.00 0.00 -1.47 0.00 0.00 33.84 33.23 1toq n VAL 114 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1toq n GLY 115 N -0.63 0.86 3.11 7.63 0.00 -1.24 -0.73 105.19 114.18 1toq n GLY 115 Ca 0.03 -0.54 -0.14 0.00 0.00 0.00 0.00 46.02 45.37 1toq n GLY 115 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1toq s PHE 116 N -2.00 0.84 0.14 1.61 0.08 -1.26 -0.22 117.98 117.17 1toq s PHE 116 Ca 0.00 -0.58 -0.12 0.00 0.12 0.00 0.00 56.93 56.34 1toq s PHE 116 Cb 0.00 -0.49 0.01 0.00 -0.57 0.00 0.00 43.02 41.98 1toq s PHE 116 CO 0.00 -0.06 0.33 -1.59 -0.10 0.00 0.00 175.22 173.80 1toq s LYS 117 N -2.14 1.08 0.00 0.44 -2.85 -0.64 -1.49 119.74 114.13 1toq s LYS 117 Ca -0.03 -0.92 0.00 0.00 -1.00 0.00 0.00 55.97 54.02 1toq s LYS 117 Cb -0.06 0.42 0.00 0.00 -2.06 0.00 0.00 37.83 36.12 1toq s LYS 117 CO -0.00 -0.40 0.00 0.41 0.10 0.00 0.00 175.35 175.46 1toq n GLY 118 N -0.19 -0.62 3.53 0.59 0.00 -0.19 -0.02 105.19 108.28 1toq n GLY 118 Ca -0.13 -0.48 -0.14 0.00 0.00 0.00 0.00 46.02 45.27 1toq n GLY 118 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1toq s SER 119 N -4.00 -0.65 -0.06 1.61 0.15 -0.70 -0.36 113.70 109.70 1toq s SER 119 Ca 0.00 1.25 0.01 0.00 0.70 0.00 0.00 55.95 57.92 1toq s SER 119 Cb 0.00 1.27 0.02 0.00 -1.71 0.00 0.00 66.02 65.60 1toq s SER 119 CO 0.00 -0.22 -0.08 -0.63 1.20 0.00 0.00 173.24 173.52 1toq s ILE 120 N 0.33 0.82 0.00 6.45 1.01 -0.87 -0.10 121.20 128.84 1toq s ILE 120 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 60.65 60.38 1toq s ILE 120 Cb -0.04 -0.80 0.00 0.00 0.01 0.00 0.00 42.46 41.62 1toq s ILE 120 CO 0.01 0.29 0.00 0.61 0.00 0.00 0.00 174.94 175.85 1toq n GLY 121 N 4.09 1.77 0.15 6.18 0.00 -1.26 -0.74 105.19 115.38 1toq n GLY 121 Ca -0.22 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.65 1toq n GLY 121 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1toq h TYR 122 N 0.00 0.44 -2.61 1.61 -1.99 -1.94 0.58 116.97 113.06 1toq h TYR 122 Ca 0.00 -0.04 -0.50 0.00 2.00 0.00 0.00 58.73 60.19 1toq h TYR 122 Cb 0.00 -0.13 -0.14 0.00 2.00 0.00 0.00 36.73 38.46 1toq h TYR 122 CO 0.00 0.45 -0.62 -1.58 -0.00 0.00 0.00 178.16 176.41 1toq s TRP 123 N -5.49 2.05 -0.13 4.88 0.51 -1.26 -4.32 118.94 115.17 1toq s TRP 123 Ca -0.13 -0.85 -0.29 0.00 -2.12 0.00 0.00 56.10 52.71 1toq s TRP 123 Cb 0.08 -1.32 -0.06 0.00 -0.81 0.00 0.00 33.47 31.37 1toq s TRP 123 CO 0.73 0.15 2.00 1.41 -0.51 0.00 0.00 176.95 180.73 1toq s MET 124 N -3.82 3.62 0.02 4.98 -2.45 -0.18 -4.46 119.30 117.00 1toq s MET 124 Ca 0.34 2.15 -0.19 0.00 -1.25 0.00 0.00 55.69 56.74 1toq s MET 124 Cb 0.08 -4.23 -0.22 0.00 1.25 0.00 0.00 34.83 31.71 1toq s MET 124 CO 0.15 -1.54 1.14 -0.44 1.05 0.00 0.00 175.02 175.38 1toq h ASP 125 N 12.61 0.55 -5.17 1.11 3.32 -0.82 -0.55 116.42 127.48 1toq h ASP 125 Ca -0.42 -0.72 0.10 0.00 0.02 0.00 0.00 57.03 56.01 1toq h ASP 125 Cb 1.22 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 40.56 1toq h ASP 125 CO 0.96 1.19 0.38 -0.72 -1.72 0.00 0.00 179.24 179.33 1toq s TYR 126 N -3.37 -0.07 -0.14 4.55 -0.85 -1.22 -4.32 117.35 111.92 1toq s TYR 126 Ca -0.13 -0.38 -0.30 0.00 -0.52 0.00 0.00 57.07 55.74 1toq s TYR 126 Cb 0.04 0.71 0.12 0.00 0.38 0.00 0.00 41.96 43.22 1toq s TYR 126 CO 0.82 -1.13 0.98 -0.59 -1.52 0.00 0.00 175.55 174.11 1toq s PHE 127 N -3.11 -0.37 0.21 -3.49 -0.71 -1.26 -1.71 117.98 107.53 1toq s PHE 127 Ca 0.14 0.59 0.09 0.00 -1.04 0.00 0.00 56.93 56.72 1toq s PHE 127 Cb -0.04 0.46 -0.05 0.00 -1.21 0.00 0.00 43.02 42.19 1toq s PHE 127 CO 0.06 -0.36 -0.18 -1.12 -1.34 0.00 0.00 175.22 172.28 1toq s SER 128 N -1.26 2.91 -0.01 1.98 0.01 0.97 -4.97 113.70 113.32 1toq s SER 128 Ca -0.01 -0.95 0.07 0.00 1.31 0.00 0.00 55.95 56.37 1toq s SER 128 Cb -0.00 -0.19 -0.02 0.00 0.21 0.00 0.00 66.02 66.02 1toq s SER 128 CO 0.01 -0.05 -0.23 -0.04 0.41 0.00 0.00 173.24 173.34 1toq s MET 129 N -3.22 1.84 0.04 12.44 -1.94 -1.26 -1.62 119.30 125.58 1toq s MET 129 Ca 0.22 -0.84 -0.22 0.00 -1.71 0.00 0.00 55.69 53.14 1toq s MET 129 Cb -0.04 -1.79 -0.06 0.00 2.01 0.00 0.00 34.83 34.95 1toq s MET 129 CO 0.09 0.49 0.64 0.71 -0.01 0.00 0.00 175.02 176.94 1toq s TYR 130 N -0.56 3.74 -0.04 -0.03 1.51 0.70 -4.97 117.35 117.71 1toq s TYR 130 Ca 0.09 1.32 0.06 0.00 -1.01 0.00 0.00 57.07 57.53 1toq s TYR 130 Cb -0.09 -2.65 -0.01 0.00 -0.11 0.00 0.00 41.96 39.10 1toq s TYR 130 CO -0.01 0.40 -0.23 -0.51 -1.11 0.00 0.00 175.55 174.09 1toq s LEU 131 N -0.44 2.04 0.34 -1.29 1.43 -1.26 -1.33 118.68 118.17 1toq s LEU 131 Ca 0.33 -0.45 -0.08 0.00 -1.03 0.00 0.00 54.13 52.90 1toq s LEU 131 Cb -0.19 -1.25 0.01 0.00 0.03 0.00 0.00 46.19 44.79 1toq s LEU 131 CO 0.20 0.26 0.55 -0.94 0.23 0.00 0.00 176.35 176.65 1toq s SER 132 N -0.33 0.51 0.00 2.29 1.04 -0.45 -4.95 113.70 111.82 1toq s SER 132 Ca 0.03 -1.30 0.27 0.00 0.48 0.00 0.00 55.95 55.43 1toq s SER 132 Cb -0.11 0.70 0.83 0.00 0.10 0.00 0.00 66.02 67.54 1toq s SER 132 CO 0.01 -1.36 1.62 0.18 0.98 0.00 0.00 173.24 174.67