#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 4.03 0.58 1.61 2.20 -0.07 -4.78 119.74 123.31 1toq s LYS 2 Ca 0.00 0.15 -0.18 0.00 -0.36 0.00 0.00 55.97 55.58 1toq s LYS 2 Cb 0.00 -3.66 -0.04 0.00 -1.51 0.00 0.00 37.83 32.62 1toq s LYS 2 CO 0.00 -0.31 1.11 0.00 -0.36 0.00 0.00 175.35 175.79 1toq s ALA 3 N 2.17 2.63 0.06 3.13 0.00 -1.26 -1.76 121.76 126.73 1toq s ALA 3 Ca 0.18 0.70 -0.05 0.00 0.00 0.00 0.00 51.96 52.78 1toq s ALA 3 Cb -0.16 -3.33 -0.02 0.00 0.00 0.00 0.00 23.12 19.61 1toq s ALA 3 CO 0.10 -0.91 0.07 -0.59 0.00 0.00 0.00 175.76 174.43 1toq s PHE 4 N -2.01 0.33 -0.27 0.00 -0.12 0.15 -4.94 117.98 111.12 1toq s PHE 4 Ca 0.70 -0.79 -0.00 0.00 -0.05 0.00 0.00 56.93 56.78 1toq s PHE 4 Cb -0.22 -0.22 0.15 0.00 -0.63 0.00 0.00 43.02 42.10 1toq s PHE 4 CO 0.32 -0.44 0.41 0.34 -0.05 0.00 0.00 175.22 175.80 1toq s ASP 5 N -2.77 0.14 0.32 1.98 2.15 -1.26 -1.40 116.67 115.83 1toq s ASP 5 Ca 0.04 0.02 0.17 0.00 0.43 0.00 0.00 52.55 53.22 1toq s ASP 5 Cb 0.05 1.21 0.27 0.00 -0.30 0.00 0.00 42.92 44.15 1toq s ASP 5 CO -0.10 -0.32 1.54 0.44 -0.17 0.00 0.00 175.17 176.56 1toq h ASP 6 N 8.16 0.00 -4.56 -0.34 3.32 -1.72 -3.49 116.42 117.78 1toq h ASP 6 Ca -0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.90 1toq h ASP 6 Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.69 1toq h ASP 6 CO 0.27 0.44 0.00 0.61 -1.72 0.00 0.00 179.24 178.84 1toq n GLY 7 N 0.94 -2.68 3.63 2.75 0.00 -1.26 -4.96 105.19 103.62 1toq n GLY 7 Ca 0.01 -1.82 -0.34 0.00 0.00 0.00 0.00 46.02 43.87 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 -1.27 3.16 0.00 4.61 0.00 -1.26 -4.10 121.76 122.90 1toq s ALA 8 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.13 1toq s ALA 8 Cb 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 23.12 21.70 1toq s ALA 8 CO 0.00 0.54 0.00 1.19 0.00 0.00 0.00 175.76 177.49 1toq n PHE 9 N 2.32 0.00 0.11 0.00 3.01 -0.34 -5.01 117.46 117.55 1toq n PHE 9 Ca -0.18 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.35 1toq n PHE 9 Cb 0.53 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 40.01 1toq n PHE 9 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1toq h THR 10 N 0.41 0.22 0.00 4.37 2.02 -1.27 -3.46 112.91 115.20 1toq h THR 10 Ca 0.00 -1.39 0.00 0.00 0.77 0.00 0.00 66.41 65.79 1toq h THR 10 Cb 0.00 1.81 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 1toq h THR 10 CO 0.00 0.12 0.00 0.61 0.37 0.00 0.00 175.52 176.62 1toq n GLY 11 N 1.23 -1.32 3.02 2.16 0.00 -1.18 -4.95 105.19 104.15 1toq n GLY 11 Ca -0.02 -0.95 -0.23 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.90 0.97 -0.18 -0.61 1.01 -1.26 -1.86 121.20 116.36 1toq s ILE 12 Ca 0.00 -0.43 0.05 0.00 0.00 0.00 0.00 60.65 60.27 1toq s ILE 12 Cb 0.00 -0.88 -0.14 0.00 0.01 0.00 0.00 42.46 41.45 1toq s ILE 12 CO 0.00 0.31 -0.12 0.54 0.00 0.00 0.00 174.94 175.67 1toq n ARG 13 N 3.52 0.75 -3.64 2.79 1.74 -0.07 -4.74 116.66 117.01 1toq n ARG 13 Ca -0.21 0.08 -0.15 0.00 -0.77 0.00 0.00 57.85 56.81 1toq n ARG 13 Cb 0.53 -1.39 -0.08 0.00 -1.02 0.00 0.00 32.46 30.50 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 -2.38 0.80 -0.15 5.56 2.12 -0.64 -0.79 118.70 123.21 1toq s GLU 14 Ca -0.21 0.63 0.02 0.00 0.36 0.00 0.00 54.97 55.77 1toq s GLU 14 Cb 0.06 0.38 0.01 0.00 0.26 0.00 0.00 34.13 34.85 1toq s GLU 14 CO 0.49 -0.15 -0.20 0.42 -0.54 0.00 0.00 175.26 175.28 1toq s ILE 15 N -0.17 2.17 -0.30 -3.70 1.01 0.40 -0.68 121.20 119.93 1toq s ILE 15 Ca -0.04 -0.93 -0.05 0.00 0.00 0.00 0.00 60.65 59.63 1toq s ILE 15 Cb -0.03 -1.88 0.02 0.00 0.01 0.00 0.00 42.46 40.58 1toq s ILE 15 CO 0.03 0.54 0.04 0.20 0.00 0.00 0.00 174.94 175.76 1toq s ASN 16 N 0.93 4.96 0.32 3.58 0.01 0.49 0.50 114.94 125.73 1toq s ASN 16 Ca -0.04 -0.91 0.03 0.00 -0.71 0.00 0.00 52.86 51.23 1toq s ASN 16 Cb -0.15 -1.81 -0.05 0.00 0.41 0.00 0.00 41.25 39.65 1toq s ASN 16 CO -0.04 -0.22 0.09 -1.48 -1.51 0.00 0.00 177.10 173.94 1toq s LEU 17 N 1.41 1.97 0.10 0.60 0.05 -0.79 -0.84 118.68 121.18 1toq s LEU 17 Ca 0.00 -1.45 0.05 0.00 0.05 0.00 0.00 54.13 52.78 1toq s LEU 17 Cb -0.18 -0.19 -0.03 0.00 -2.05 0.00 0.00 46.19 43.74 1toq s LEU 17 CO 0.01 -0.72 -0.13 -0.44 -0.55 0.00 0.00 176.35 174.51 1toq s SER 18 N -3.46 1.73 0.22 1.48 0.01 -0.30 -0.77 113.70 112.61 1toq s SER 18 Ca 0.34 -0.73 -0.16 0.00 1.31 0.00 0.00 55.95 56.71 1toq s SER 18 Cb 0.07 -0.04 0.02 0.00 0.21 0.00 0.00 66.02 66.27 1toq s SER 18 CO 0.15 -0.15 0.52 -0.72 0.41 0.00 0.00 173.24 173.45 1toq s TYR 19 N -1.87 0.03 -0.09 2.43 1.13 -0.83 0.27 117.35 118.42 1toq s TYR 19 Ca 0.04 -0.39 0.01 0.00 -1.41 0.00 0.00 57.07 55.31 1toq s TYR 19 Cb -0.06 0.35 0.02 0.00 -1.10 0.00 0.00 41.96 41.16 1toq s TYR 19 CO 0.02 -0.96 -0.12 1.21 -2.51 0.00 0.00 175.55 173.19 1toq s ASN 20 N -2.92 2.09 0.19 -0.18 3.84 -1.03 0.41 114.94 117.33 1toq s ASN 20 Ca 0.13 -0.34 0.13 0.00 0.21 0.00 0.00 52.86 52.99 1toq s ASN 20 Cb -0.01 -0.91 0.70 0.00 -0.55 0.00 0.00 41.25 40.47 1toq s ASN 20 CO 0.02 -0.02 1.39 2.29 -2.79 0.00 0.00 177.10 177.99 1toq n LYS 21 N 4.27 0.08 -0.01 0.43 2.85 -1.26 -1.86 118.16 122.67 1toq n LYS 21 Ca -0.19 0.58 0.08 0.00 -1.05 0.00 0.00 58.31 57.73 1toq n LYS 21 Cb 0.51 -1.77 -0.11 0.00 -0.65 0.00 0.00 35.03 33.00 1toq n LYS 21 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1toq n GLU 22 N -1.95 0.77 0.00 -1.58 -0.58 -1.26 -4.57 120.64 111.48 1toq n GLU 22 Ca -0.01 -0.12 0.00 0.00 -0.42 0.00 0.00 57.16 56.62 1toq n GLU 22 Cb 0.02 -1.34 0.00 0.00 -0.57 0.00 0.00 31.44 29.55 1toq n GLU 22 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1toq n THR 23 N -1.91 0.00 -3.17 2.62 -2.24 -0.78 -4.99 114.28 103.82 1toq n THR 23 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1toq n THR 23 Cb 0.38 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 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 -1.98 0.00 -1.86 6.98 0.00 -1.23 -4.60 120.51 117.82 1toq n ALA 24 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1toq n ALA 24 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 -2.63 4.33 0.00 0.00 -1.09 -0.89 -2.48 121.20 118.44 1toq s ILE 25 Ca 0.00 1.62 0.00 0.00 -2.23 0.00 0.00 60.65 60.04 1toq s ILE 25 Cb 0.00 -3.88 0.00 0.00 -1.58 0.00 0.00 42.46 37.00 1toq s ILE 25 CO 0.00 0.04 0.00 0.61 -1.23 0.00 0.00 174.94 174.36 1toq n GLY 26 N 0.28 0.94 3.76 6.18 0.00 0.14 -0.33 105.19 116.16 1toq n GLY 26 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 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 0.62 5.54 -0.05 1.61 1.11 -1.26 -4.31 116.67 119.94 1toq s ASP 27 Ca 0.00 2.84 -0.02 0.00 0.18 0.00 0.00 52.55 55.55 1toq s ASP 27 Cb 0.00 -2.64 0.03 0.00 1.07 0.00 0.00 42.92 41.38 1toq s ASP 27 CO 0.00 -1.40 0.11 0.12 1.18 0.00 0.00 175.17 175.18 1toq s PHE 28 N -1.26 -0.10 -0.13 4.23 5.36 -0.41 -1.15 117.98 124.53 1toq s PHE 28 Ca 0.67 0.35 -0.10 0.00 -0.96 0.00 0.00 56.93 56.89 1toq s PHE 28 Cb -0.42 -0.11 0.04 0.00 -0.34 0.00 0.00 43.02 42.19 1toq s PHE 28 CO 0.52 -0.13 0.34 -1.14 -1.46 0.00 0.00 175.22 173.35 1toq s GLN 29 N 1.00 0.36 -0.02 10.12 0.74 -0.02 -0.84 119.66 131.01 1toq s GLN 29 Ca -0.08 0.56 0.08 0.00 0.05 0.00 0.00 55.36 55.97 1toq s GLN 29 Cb -0.10 0.09 -0.02 0.00 1.10 0.00 0.00 33.01 34.07 1toq s GLN 29 CO -0.04 -0.09 -0.25 0.08 -0.55 0.00 0.00 175.29 174.43 1toq s VAL 30 N 0.66 1.98 -0.48 1.34 1.01 -1.26 -0.38 120.40 123.28 1toq s VAL 30 Ca -0.04 -1.07 -0.16 0.00 0.00 0.00 0.00 61.98 60.71 1toq s VAL 30 Cb -0.05 -1.65 0.07 0.00 0.00 0.00 0.00 36.38 34.75 1toq s VAL 30 CO -0.04 0.56 0.42 -0.69 0.00 0.00 0.00 175.10 175.35 1toq s VAL 31 N -0.54 5.20 0.62 2.92 1.01 0.14 -0.36 120.40 129.39 1toq s VAL 31 Ca 0.08 -1.03 -0.04 0.00 0.00 0.00 0.00 61.98 60.99 1toq s VAL 31 Cb -0.10 -4.15 0.03 0.00 0.00 0.00 0.00 36.38 32.17 1toq s VAL 31 CO -0.01 -0.61 0.91 -0.31 0.00 0.00 0.00 175.10 175.09 1toq s TYR 32 N 1.73 3.03 -0.21 5.22 2.02 0.86 -0.89 117.35 129.11 1toq s TYR 32 Ca 0.05 0.40 -0.10 0.00 -0.37 0.00 0.00 57.07 57.05 1toq s TYR 32 Cb -0.24 -2.90 -0.05 0.00 -0.40 0.00 0.00 41.96 38.37 1toq s TYR 32 CO 0.07 -1.05 0.13 0.34 -1.57 0.00 0.00 175.55 173.47 1toq s ASP 33 N -4.41 6.15 -0.45 2.29 2.15 -0.78 0.54 116.67 122.16 1toq s ASP 33 Ca 0.57 0.20 0.03 0.00 0.43 0.00 0.00 52.55 53.78 1toq s ASP 33 Cb -0.11 -2.09 0.12 0.00 -0.30 0.00 0.00 42.92 40.55 1toq s ASP 33 CO 0.43 0.15 0.20 -0.22 -0.17 0.00 0.00 175.17 175.56 1toq s LEU 34 N 0.51 4.06 -1.40 -1.34 0.20 0.14 -0.86 118.68 119.99 1toq s LEU 34 Ca 0.08 -2.67 -0.06 0.00 0.69 0.00 0.00 54.13 52.16 1toq s LEU 34 Cb -0.12 -1.50 0.04 0.00 -0.43 0.00 0.00 46.19 44.18 1toq s LEU 34 CO -0.01 -0.28 0.87 0.59 -0.29 0.00 0.00 176.35 177.23 1toq n ASN 35 N 3.55 -3.11 0.00 3.68 5.03 -1.26 -2.18 115.26 120.96 1toq n ASN 35 Ca 0.05 -0.77 0.00 0.00 0.87 0.00 0.00 54.58 54.73 1toq n ASN 35 Cb 0.35 -4.12 0.00 0.00 -1.02 0.00 0.00 39.78 34.99 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 -1.64 2.54 3.40 7.41 0.00 -1.26 -5.05 105.19 110.59 1toq n GLY 36 Ca -0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.40 3.41 0.57 1.61 0.01 -0.93 -5.12 113.70 111.85 1toq s SER 37 Ca 0.00 -0.71 -0.20 0.00 1.31 0.00 0.00 55.95 56.36 1toq s SER 37 Cb 0.00 -0.28 -0.04 0.00 0.21 0.00 0.00 66.02 65.91 1toq s SER 37 CO 0.00 0.18 1.21 -2.16 0.41 0.00 0.00 173.24 172.89 1toq s PRO 38 N -2.02 3.10 -0.11 12.44 0.04 -1.26 0.24 135.00 147.43 1toq s PRO 38 Ca 0.15 1.85 -0.02 0.00 0.04 0.00 0.00 61.00 63.01 1toq s PRO 38 Cb -0.10 -2.02 0.04 0.00 0.04 0.00 0.00 34.50 32.46 1toq s PRO 38 CO 0.06 -1.11 0.03 -0.47 0.04 0.00 0.00 177.00 175.56 1toq s TYR 39 N -1.57 0.56 -0.44 0.56 6.14 0.19 -4.73 117.35 118.06 1toq s TYR 39 Ca 0.75 -0.25 -0.29 0.00 0.64 0.00 0.00 57.07 57.92 1toq s TYR 39 Cb -0.31 -0.77 0.02 0.00 0.42 0.00 0.00 41.96 41.33 1toq s TYR 39 CO 0.34 -0.39 1.17 0.08 0.64 0.00 0.00 175.55 177.40 1toq s VAL 40 N 2.01 4.21 0.83 3.14 1.01 -1.26 -0.10 120.40 130.25 1toq s VAL 40 Ca 0.03 1.27 -0.11 0.00 0.00 0.00 0.00 61.98 63.17 1toq s VAL 40 Cb -0.14 -4.50 0.09 0.00 0.00 0.00 0.00 36.38 31.83 1toq s VAL 40 CO -0.06 -0.87 1.10 -0.83 0.00 0.00 0.00 175.10 174.44 1toq s GLY 41 N 2.54 1.62 0.50 4.51 0.00 0.52 -4.97 107.32 112.04 1toq s GLY 41 Ca 0.50 -0.15 -0.22 0.00 0.00 0.00 0.00 44.72 44.85 1toq s GLY 41 CO 0.29 0.30 1.20 1.62 0.00 0.00 0.00 173.10 176.50 1toq s GLN 42 N -5.08 3.51 -0.06 2.90 0.74 -1.26 -4.67 119.66 115.73 1toq s GLN 42 Ca 0.62 1.84 -0.30 0.00 0.05 0.00 0.00 55.36 57.57 1toq s GLN 42 Cb -0.16 -2.27 -0.03 0.00 1.10 0.00 0.00 33.01 31.65 1toq s GLN 42 CO 0.55 -0.78 1.18 1.21 -0.55 0.00 0.00 175.29 176.90 1toq s ASN 43 N -1.37 7.07 -0.68 6.67 3.84 -1.26 -4.54 114.94 124.66 1toq s ASN 43 Ca 0.68 1.78 -0.09 0.00 0.21 0.00 0.00 52.86 55.44 1toq s ASN 43 Cb -0.30 -2.56 0.18 0.00 -0.55 0.00 0.00 41.25 38.02 1toq s ASN 43 CO 0.36 -0.57 0.56 -1.00 -2.79 0.00 0.00 177.10 173.66 1toq s HIS 44 N 2.21 3.55 0.42 0.43 3.76 -0.02 -5.00 115.29 120.64 1toq s HIS 44 Ca 0.55 -2.21 -0.05 0.00 -0.15 0.00 0.00 55.06 53.20 1toq s HIS 44 Cb -0.24 -3.54 -0.04 0.00 1.11 0.00 0.00 32.58 29.87 1toq s HIS 44 CO 0.21 -0.94 0.71 -1.54 -0.85 0.00 0.00 174.74 172.34 1toq s SER 45 N 1.77 6.35 0.70 1.40 1.04 -1.26 -1.28 113.70 122.42 1toq s SER 45 Ca 0.15 0.86 -0.12 0.00 0.48 0.00 0.00 55.95 57.32 1toq s SER 45 Cb -0.17 -2.21 0.02 0.00 0.10 0.00 0.00 66.02 63.75 1toq s SER 45 CO -0.05 -0.44 1.07 -0.55 0.98 0.00 0.00 173.24 174.25 1toq s SER 46 N -3.76 5.15 0.47 7.02 0.15 -1.26 -4.83 113.70 116.65 1toq s SER 46 Ca 0.46 1.75 0.27 0.00 0.70 0.00 0.00 55.95 59.13 1toq s SER 46 Cb -0.10 -2.51 0.87 0.00 -1.71 0.00 0.00 66.02 62.57 1toq s SER 46 CO 0.38 -1.60 1.80 -0.26 1.20 0.00 0.00 173.24 174.77 1toq h PHE 47 N -0.60 0.00 -4.66 3.44 0.04 -1.11 -3.46 116.94 110.59 1toq h PHE 47 Ca -0.44 0.00 -0.38 0.00 2.80 0.00 0.00 57.97 59.94 1toq h PHE 47 Cb 1.22 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 39.30 1toq h PHE 47 CO 0.60 0.09 -0.27 0.44 -0.60 0.00 0.00 178.31 178.57 1toq n ILE 48 N -3.17 0.00 -3.33 -0.55 -5.35 -1.26 -5.04 119.36 100.65 1toq n ILE 48 Ca 0.02 -1.40 0.00 0.00 -0.27 0.00 0.00 62.75 61.10 1toq n ILE 48 Cb 0.43 0.24 0.00 0.00 -1.74 0.00 0.00 39.64 38.57 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 -1.24 1.49 -0.00 7.28 7.64 -1.26 -4.92 113.62 122.60 1toq n SER 49 Ca -0.11 -0.59 0.00 0.00 1.01 0.00 0.00 58.87 59.18 1toq n SER 49 Cb 0.38 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 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 5.00 1.18 3.68 0.23 0.00 -1.26 -5.09 105.19 108.93 1toq n GLY 50 Ca 0.00 -0.45 -0.26 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.01 2.86 -0.25 1.61 0.08 -1.26 -4.73 117.98 114.28 1toq s PHE 51 Ca 0.00 -0.14 -0.09 0.00 0.12 0.00 0.00 56.93 56.83 1toq s PHE 51 Cb 0.00 -1.36 -0.04 0.00 -0.57 0.00 0.00 43.02 41.05 1toq s PHE 51 CO 0.00 0.53 0.11 0.99 -0.10 0.00 0.00 175.22 176.75 1toq s THR 52 N -1.84 4.70 0.36 0.64 2.01 0.17 -4.86 115.64 116.81 1toq s THR 52 Ca 0.29 -0.04 -0.26 0.00 0.31 0.00 0.00 61.69 61.99 1toq s THR 52 Cb -0.09 -3.21 -0.09 0.00 0.01 0.00 0.00 72.50 69.12 1toq s THR 52 CO 0.19 0.32 1.04 -2.16 -0.69 0.00 0.00 174.62 173.33 1toq s PRO 53 N 1.53 4.35 -0.02 4.92 0.04 -1.26 -1.96 135.00 142.59 1toq s PRO 53 Ca 0.06 1.55 0.02 0.00 0.04 0.00 0.00 61.00 62.67 1toq s PRO 53 Cb -0.15 -2.74 0.00 0.00 0.04 0.00 0.00 34.50 31.65 1toq s PRO 53 CO 0.06 0.01 -0.09 0.08 0.04 0.00 0.00 177.00 177.10 1toq s VAL 54 N -1.53 0.75 -0.20 -0.36 1.01 0.05 -4.98 120.40 115.15 1toq s VAL 54 Ca 0.53 -0.35 -0.03 0.00 0.00 0.00 0.00 61.98 62.13 1toq s VAL 54 Cb -0.24 -0.66 -0.01 0.00 0.00 0.00 0.00 36.38 35.47 1toq s VAL 54 CO 0.30 0.23 -0.05 -0.75 0.00 0.00 0.00 175.10 174.83 1toq s LYS 55 N 0.11 3.43 -0.36 2.72 2.20 -1.26 -1.88 119.74 124.69 1toq s LYS 55 Ca -0.02 -0.61 -0.03 0.00 -0.36 0.00 0.00 55.97 54.95 1toq s LYS 55 Cb -0.07 -2.94 0.08 0.00 -1.51 0.00 0.00 37.83 33.38 1toq s LYS 55 CO 0.00 -0.06 0.12 0.42 -0.36 0.00 0.00 175.35 175.47 1toq s ILE 56 N 1.13 3.28 -0.46 5.43 1.01 0.18 -4.99 121.20 126.78 1toq s ILE 56 Ca 0.02 -1.67 -0.15 0.00 0.00 0.00 0.00 60.65 58.84 1toq s ILE 56 Cb -0.15 -3.06 0.06 0.00 0.01 0.00 0.00 42.46 39.33 1toq s ILE 56 CO -0.01 -0.41 0.38 -0.44 0.00 0.00 0.00 174.94 174.46 1toq s SER 57 N 1.57 6.14 0.16 3.58 0.01 -1.26 -0.45 113.70 123.45 1toq s SER 57 Ca 0.02 -1.24 -0.15 0.00 1.31 0.00 0.00 55.95 55.90 1toq s SER 57 Cb -0.21 -2.18 -0.07 0.00 0.21 0.00 0.00 66.02 63.77 1toq s SER 57 CO -0.02 -0.61 0.57 -0.76 0.41 0.00 0.00 173.24 172.83 1toq s LEU 58 N 1.66 4.32 -1.41 2.44 1.02 0.03 -4.98 118.68 121.75 1toq s LEU 58 Ca 0.04 1.11 -0.14 0.00 0.02 0.00 0.00 54.13 55.16 1toq s LEU 58 Cb -0.23 -3.35 0.06 0.00 0.02 0.00 0.00 46.19 42.69 1toq s LEU 58 CO 0.07 0.07 2.10 -0.67 0.02 0.00 0.00 176.35 177.95 1toq n ASP 59 N 0.70 4.19 -4.77 2.29 2.03 -1.26 -4.83 116.55 114.90 1toq n ASP 59 Ca -0.04 -2.88 -0.39 0.00 0.52 0.00 0.00 54.79 52.00 1toq n ASP 59 Cb 0.52 -1.65 -0.03 0.00 -0.72 0.00 0.00 41.12 39.24 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 3.05 3.21 -1.95 -0.67 2.19 -1.26 -0.36 117.98 122.20 1toq s PHE 60 Ca 0.47 1.59 0.23 0.00 0.33 0.00 0.00 56.93 59.55 1toq s PHE 60 Cb 0.12 -3.36 0.66 0.00 -1.31 0.00 0.00 43.02 39.13 1toq s PHE 60 CO -0.05 -1.11 1.55 -0.35 1.83 0.00 0.00 175.22 177.10 1toq n PRO 61 N 0.40 2.79 0.15 10.12 -0.04 -1.26 -4.88 135.00 142.27 1toq n PRO 61 Ca 0.03 -2.70 0.02 0.00 -0.04 0.00 0.00 63.50 60.81 1toq n PRO 61 Cb 0.46 -1.60 0.14 0.00 -0.04 0.00 0.00 33.50 32.46 1toq n PRO 61 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1toq h SER 62 N 4.35 0.00 -3.36 3.54 0.87 -1.72 -3.42 113.55 113.80 1toq h SER 62 Ca 0.00 0.00 -0.65 0.00 -1.23 0.00 0.00 61.79 59.91 1toq h SER 62 Cb 1.03 0.00 -0.20 0.00 -0.44 0.00 0.00 62.40 62.79 1toq h SER 62 CO 0.01 0.54 -0.66 -0.70 -0.53 0.00 0.00 176.83 175.49 1toq s GLU 63 N -3.24 3.42 0.03 2.24 2.12 0.52 -4.95 118.70 118.84 1toq s GLU 63 Ca 0.01 -0.49 -0.16 0.00 0.36 0.00 0.00 54.97 54.69 1toq s GLU 63 Cb 0.10 -2.86 0.03 0.00 0.26 0.00 0.00 34.13 31.66 1toq s GLU 63 CO 0.73 0.40 0.36 1.52 -0.54 0.00 0.00 175.26 177.73 1toq s TYR 64 N -0.05 -0.20 0.25 5.30 -0.85 -1.26 -4.30 117.35 116.24 1toq s TYR 64 Ca 0.02 0.16 -0.30 0.00 -0.52 0.00 0.00 57.07 56.43 1toq s TYR 64 Cb -0.13 0.15 -0.10 0.00 0.38 0.00 0.00 41.96 42.26 1toq s TYR 64 CO 0.02 -0.51 1.47 0.42 -1.52 0.00 0.00 175.55 175.43 1toq s ILE 65 N -2.26 2.57 0.00 -3.49 1.01 -1.26 -2.71 121.20 115.05 1toq s ILE 65 Ca -0.07 0.47 0.00 0.00 0.00 0.00 0.00 60.65 61.06 1toq s ILE 65 Cb -0.02 -3.30 0.00 0.00 0.01 0.00 0.00 42.46 39.15 1toq s ILE 65 CO -0.01 0.07 0.00 0.35 0.00 0.00 0.00 174.94 175.35 1toq n THR 66 N 2.36 0.00 -3.64 2.92 -2.24 0.60 -4.69 114.28 109.59 1toq n THR 66 Ca 0.07 -0.48 -0.08 0.00 -2.27 0.00 0.00 64.05 61.29 1toq n THR 66 Cb 0.40 0.99 -0.07 0.00 -2.10 0.00 0.00 70.33 69.55 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 -0.99 0.67 -0.09 -0.78 2.12 -0.93 -1.35 118.70 117.36 1toq s GLU 67 Ca 0.00 1.02 0.03 0.00 0.36 0.00 0.00 54.97 56.38 1toq s GLU 67 Cb 0.00 0.21 -0.02 0.00 0.26 0.00 0.00 34.13 34.58 1toq s GLU 67 CO 0.00 -0.12 -0.17 0.08 -0.54 0.00 0.00 175.26 174.52 1toq s VAL 68 N 1.14 2.79 0.28 3.70 1.01 -0.97 -0.01 120.40 128.34 1toq s VAL 68 Ca -0.06 -0.79 -0.07 0.00 0.00 0.00 0.00 61.98 61.06 1toq s VAL 68 Cb -0.05 -2.11 -0.01 0.00 0.00 0.00 0.00 36.38 34.21 1toq s VAL 68 CO -0.13 0.56 0.43 -0.94 0.00 0.00 0.00 175.10 175.02 1toq s SER 69 N -0.10 0.30 0.00 3.32 1.04 -0.66 -0.05 113.70 117.55 1toq s SER 69 Ca -0.03 -1.20 0.00 0.00 0.48 0.00 0.00 55.95 55.20 1toq s SER 69 Cb -0.14 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.57 1toq s SER 69 CO 0.04 -1.16 0.00 0.61 0.98 0.00 0.00 173.24 173.71 1toq n GLY 70 N -0.43 -0.82 3.07 7.32 0.00 -0.14 -0.48 105.19 113.72 1toq n GLY 70 Ca -0.00 -0.88 -0.19 0.00 0.00 0.00 0.00 46.02 44.94 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 1.00 0.10 1.61 1.51 -0.95 -0.75 117.35 116.87 1toq s TYR 71 Ca 0.00 -0.23 0.08 0.00 -1.01 0.00 0.00 57.07 55.91 1toq s TYR 71 Cb 0.00 -0.63 -0.04 0.00 -0.11 0.00 0.00 41.96 41.18 1toq s TYR 71 CO 0.00 -0.01 -0.15 0.95 -1.11 0.00 0.00 175.55 175.23 1toq s THR 72 N -0.44 3.01 -0.00 -0.71 -4.23 0.68 0.24 115.64 114.20 1toq s THR 72 Ca 0.03 -1.37 -0.30 0.00 -1.18 0.00 0.00 61.69 58.88 1toq s THR 72 Cb -0.05 -2.37 0.11 0.00 1.34 0.00 0.00 72.50 71.53 1toq s THR 72 CO -0.00 0.15 1.26 -0.83 -0.54 0.00 0.00 174.62 174.66 1toq s GLY 73 N -2.03 -0.37 0.18 3.99 0.00 -0.54 0.23 107.32 108.78 1toq s GLY 73 Ca 0.18 0.58 -0.29 0.00 0.00 0.00 0.00 44.72 45.19 1toq s GLY 73 CO 0.10 0.61 0.93 -1.31 0.00 0.00 0.00 173.10 173.43 1toq s ASN 74 N -3.06 7.56 -0.06 1.64 -0.87 -1.26 -1.13 114.94 117.77 1toq s ASN 74 Ca 0.15 1.85 -0.03 0.00 -1.57 0.00 0.00 52.86 53.27 1toq s ASN 74 Cb 0.04 -2.59 0.04 0.00 -0.02 0.00 0.00 41.25 38.72 1toq s ASN 74 CO -0.03 0.08 0.11 -0.69 -2.57 0.00 0.00 177.10 174.00 1toq s VAL 75 N -0.73 -0.18 -1.65 1.60 1.01 0.67 -4.85 120.40 116.27 1toq s VAL 75 Ca 0.42 0.38 -0.15 0.00 0.00 0.00 0.00 61.98 62.64 1toq s VAL 75 Cb -0.25 -0.22 0.13 0.00 0.00 0.00 0.00 36.38 36.04 1toq s VAL 75 CO 0.30 0.16 0.74 -1.20 0.00 0.00 0.00 175.10 175.10 1toq n SER 76 N 5.26 -2.92 0.00 3.32 7.64 -1.26 -0.62 113.62 125.05 1toq n SER 76 Ca -0.05 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.83 1toq n SER 76 Cb 0.50 -2.87 0.00 0.00 -1.01 0.00 0.00 64.21 60.83 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 -1.53 1.08 3.46 0.23 0.00 -1.26 -5.03 105.19 102.13 1toq n GLY 77 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.39 2.59 -0.25 1.61 1.51 0.21 -5.07 117.35 114.56 1toq s TYR 78 Ca 0.00 -0.24 -0.25 0.00 -1.01 0.00 0.00 57.07 55.58 1toq s TYR 78 Cb 0.00 -1.51 -0.00 0.00 -0.11 0.00 0.00 41.96 40.33 1toq s TYR 78 CO 0.00 0.22 0.83 0.08 -1.11 0.00 0.00 175.55 175.57 1toq s VAL 79 N -0.86 4.82 0.32 0.71 1.01 -1.26 -0.24 120.40 124.91 1toq s VAL 79 Ca 0.14 1.55 0.03 0.00 0.00 0.00 0.00 61.98 63.70 1toq s VAL 79 Cb -0.10 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 1toq s VAL 79 CO 0.04 -0.10 0.15 0.68 0.00 0.00 0.00 175.10 175.87 1toq s VAL 80 N 2.88 0.42 -0.44 2.92 -7.23 -0.28 -4.72 120.40 113.94 1toq s VAL 80 Ca 0.35 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 58.27 1toq s VAL 80 Cb -0.15 -2.51 0.02 0.00 0.56 0.00 0.00 36.38 34.30 1toq s VAL 80 CO 0.08 0.00 0.87 -0.69 -0.31 0.00 0.00 175.10 175.05 1toq s VAL 81 N -3.53 4.56 0.01 1.32 1.01 0.28 -1.47 120.40 122.57 1toq s VAL 81 Ca 0.34 0.68 0.08 0.00 0.00 0.00 0.00 61.98 63.09 1toq s VAL 81 Cb 0.05 -4.37 -0.23 0.00 0.00 0.00 0.00 36.38 31.82 1toq s VAL 81 CO 0.17 -0.75 0.86 0.03 0.00 0.00 0.00 175.10 175.41 1toq h ARG 82 N 8.96 0.04 -3.10 2.72 3.08 -0.48 -2.37 114.38 123.23 1toq h ARG 82 Ca -0.24 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 59.67 1toq h ARG 82 Cb 1.08 0.02 -0.16 0.00 0.08 0.00 0.00 29.97 31.00 1toq h ARG 82 CO 0.99 0.74 -0.08 -1.54 -1.07 0.00 0.00 179.97 179.01 1toq s SER 83 N -6.41 -0.29 0.06 7.04 1.04 -1.21 -0.34 113.70 113.58 1toq s SER 83 Ca -0.04 -0.06 0.05 0.00 0.48 0.00 0.00 55.95 56.37 1toq s SER 83 Cb 0.08 0.44 -0.03 0.00 0.10 0.00 0.00 66.02 66.62 1toq s SER 83 CO 0.82 -0.72 -0.14 -0.76 0.98 0.00 0.00 173.24 173.43 1toq s LEU 84 N -2.20 2.23 -0.03 2.42 2.01 -1.00 -2.24 118.68 119.86 1toq s LEU 84 Ca -0.03 -0.54 0.01 0.00 0.01 0.00 0.00 54.13 53.57 1toq s LEU 84 Cb -0.00 -0.54 0.02 0.00 0.01 0.00 0.00 46.19 45.68 1toq s LEU 84 CO -0.05 -0.03 -0.02 -0.89 1.01 0.00 0.00 176.35 176.37 1toq s THR 85 N -1.08 0.31 -0.24 5.49 2.01 0.37 -1.49 115.64 121.00 1toq s THR 85 Ca -0.01 -0.02 -0.04 0.00 0.31 0.00 0.00 61.69 61.94 1toq s THR 85 Cb -0.09 -0.36 0.00 0.00 0.01 0.00 0.00 72.50 72.06 1toq s THR 85 CO 0.02 0.16 -0.03 -0.36 -0.69 0.00 0.00 174.62 173.72 1toq s PHE 86 N 0.81 3.01 -0.20 4.92 0.40 0.13 -1.65 117.98 125.39 1toq s PHE 86 Ca -0.09 -1.09 -0.07 0.00 -0.60 0.00 0.00 56.93 55.09 1toq s PHE 86 Cb -0.12 -2.12 -0.04 0.00 0.51 0.00 0.00 43.02 41.26 1toq s PHE 86 CO -0.01 -0.59 0.05 0.21 0.70 0.00 0.00 175.22 175.58 1toq s LYS 87 N 1.45 3.83 0.33 0.44 2.20 0.98 0.54 119.74 129.51 1toq s LYS 87 Ca 0.04 -0.41 0.03 0.00 -0.36 0.00 0.00 55.97 55.27 1toq s LYS 87 Cb -0.15 -3.21 0.03 0.00 -1.51 0.00 0.00 37.83 32.98 1toq s LYS 87 CO -0.03 0.12 0.24 0.25 -0.36 0.00 0.00 175.35 175.57 1toq n THR 88 N 3.99 0.00 0.51 3.43 -2.24 0.11 -0.29 114.28 119.78 1toq n THR 88 Ca -0.16 -1.32 0.13 0.00 -2.27 0.00 0.00 64.05 60.42 1toq n THR 88 Cb 0.52 -0.20 0.44 0.00 -2.10 0.00 0.00 70.33 69.00 1toq n THR 88 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1toq h ASN 89 N 0.41 0.00 0.00 3.42 -1.07 -1.87 -3.31 115.58 113.17 1toq h ASN 89 Ca -0.21 0.00 -0.32 0.00 0.07 0.00 0.00 56.30 55.84 1toq h ASN 89 Cb 0.77 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 36.96 1toq h ASN 89 CO 0.33 0.00 -2.21 0.29 0.07 0.00 0.00 177.43 175.91 1toq n LYS 90 N -2.32 0.53 -3.80 4.14 4.01 -1.26 -5.06 118.16 114.39 1toq n LYS 90 Ca 0.04 0.13 -0.07 0.00 -0.51 0.00 0.00 58.31 57.90 1toq n LYS 90 Cb 0.35 -1.42 0.03 0.00 -0.51 0.00 0.00 35.03 33.48 1toq n LYS 90 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 1toq n LYS 91 N -3.15 0.97 -4.69 1.97 2.85 -1.25 -5.16 118.16 109.70 1toq n LYS 91 Ca -0.38 -1.97 -0.33 0.00 -1.05 0.00 0.00 58.31 54.58 1toq n LYS 91 Cb 0.90 2.51 -0.13 0.00 -0.65 0.00 0.00 35.03 37.66 1toq n LYS 91 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1toq s THR 92 N -2.09 3.39 -0.16 0.58 2.01 -1.26 0.08 115.64 118.18 1toq s THR 92 Ca 0.18 -0.57 0.01 0.00 0.31 0.00 0.00 61.69 61.63 1toq s THR 92 Cb -0.04 -2.40 0.02 0.00 0.01 0.00 0.00 72.50 70.08 1toq s THR 92 CO 0.10 0.55 -0.20 -0.31 -0.69 0.00 0.00 174.62 174.07 1toq s TYR 93 N -0.21 2.70 0.00 4.92 1.51 0.19 -4.99 117.35 121.47 1toq s TYR 93 Ca 0.02 -1.52 0.00 0.00 -1.01 0.00 0.00 57.07 54.56 1toq s TYR 93 Cb -0.13 -1.86 0.00 0.00 -0.11 0.00 0.00 41.96 39.86 1toq s TYR 93 CO 0.03 -0.73 0.00 0.41 -1.11 0.00 0.00 175.55 174.14 1toq n GLY 94 N 4.44 -0.24 3.78 0.71 0.00 -1.26 0.19 105.19 112.81 1toq n GLY 94 Ca -0.20 -2.26 -0.33 0.00 0.00 0.00 0.00 46.02 43.23 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 -0.17 3.05 -0.07 1.61 0.04 -1.26 -4.96 135.00 133.23 1toq s PRO 95 Ca 0.00 1.33 0.05 0.00 0.04 0.00 0.00 61.00 62.42 1toq s PRO 95 Cb 0.00 -1.99 -0.01 0.00 0.04 0.00 0.00 34.50 32.55 1toq s PRO 95 CO 0.00 -1.04 -0.25 0.71 0.04 0.00 0.00 177.00 176.46 1toq s TYR 96 N -2.35 2.47 0.00 0.56 2.02 -0.55 -4.97 117.35 114.53 1toq s TYR 96 Ca 0.66 -0.84 0.00 0.00 -0.37 0.00 0.00 57.07 56.52 1toq s TYR 96 Cb -0.19 -1.63 0.00 0.00 -0.40 0.00 0.00 41.96 39.74 1toq s TYR 96 CO 0.39 -0.29 0.00 0.41 -1.57 0.00 0.00 175.55 174.49 1toq n GLY 97 N 3.16 -1.72 3.52 0.71 0.00 -1.26 -2.39 105.19 107.20 1toq n GLY 97 Ca -0.18 -1.99 -0.38 0.00 0.00 0.00 0.00 46.02 43.48 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 4.84 -1.32 1.61 1.01 0.54 -4.87 120.40 122.21 1toq s VAL 98 Ca 0.00 -0.04 -0.12 0.00 0.00 0.00 0.00 61.98 61.82 1toq s VAL 98 Cb 0.00 -3.32 0.12 0.00 0.00 0.00 0.00 36.38 33.18 1toq s VAL 98 CO 0.00 0.25 1.91 0.35 0.00 0.00 0.00 175.10 177.61 1toq n THR 99 N 5.00 4.04 -3.59 3.92 -2.24 -1.26 -3.63 114.28 116.52 1toq n THR 99 Ca -0.15 -4.02 -0.16 0.00 -2.27 0.00 0.00 64.05 57.45 1toq n THR 99 Cb 0.51 -2.44 -0.07 0.00 -2.10 0.00 0.00 70.33 66.23 1toq n THR 99 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1toq s SER 100 N 2.09 -0.52 0.00 3.42 1.04 -1.26 -5.08 113.70 113.40 1toq s SER 100 Ca 0.43 0.51 0.00 0.00 0.48 0.00 0.00 55.95 57.38 1toq s SER 100 Cb 0.09 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.68 1toq s SER 100 CO -0.02 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 174.25 1toq n GLY 101 N 0.99 0.10 3.64 7.32 0.00 -1.26 -4.65 105.19 111.33 1toq n GLY 101 Ca -0.20 -1.83 -0.36 0.00 0.00 0.00 0.00 46.02 43.63 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 -0.43 5.24 0.59 2.61 2.01 0.14 -4.85 115.64 120.95 1toq s THR 102 Ca 0.00 0.14 -0.15 0.00 0.31 0.00 0.00 61.69 61.99 1toq s THR 102 Cb 0.00 -3.44 -0.04 0.00 0.01 0.00 0.00 72.50 69.03 1toq s THR 102 CO 0.00 0.35 1.04 -2.16 -0.69 0.00 0.00 174.62 173.16 1toq s PRO 103 N 1.06 3.43 0.04 4.92 0.04 -1.26 -0.23 135.00 143.00 1toq s PRO 103 Ca 0.07 1.05 -0.07 0.00 0.04 0.00 0.00 61.00 62.10 1toq s PRO 103 Cb -0.14 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.34 1toq s PRO 103 CO 0.04 -0.71 0.12 -0.59 0.04 0.00 0.00 177.00 175.91 1toq s PHE 104 N -2.67 0.15 -0.12 0.56 -0.71 0.07 -4.90 117.98 110.36 1toq s PHE 104 Ca 0.61 -0.42 -0.21 0.00 -1.04 0.00 0.00 56.93 55.87 1toq s PHE 104 Cb -0.14 -0.11 0.05 0.00 -1.21 0.00 0.00 43.02 41.62 1toq s PHE 104 CO 0.40 -0.38 0.52 0.54 -1.34 0.00 0.00 175.22 174.97 1toq s ASN 105 N -2.07 -0.50 -0.42 1.98 4.22 -1.26 -0.96 114.94 115.92 1toq s ASN 105 Ca -0.06 0.78 0.02 0.00 -2.14 0.00 0.00 52.86 51.46 1toq s ASN 105 Cb -0.02 0.79 0.13 0.00 1.28 0.00 0.00 41.25 43.44 1toq s ASN 105 CO -0.04 -0.34 0.22 -0.22 -2.04 0.00 0.00 177.10 174.68 1toq s LEU 106 N -0.42 2.40 0.13 3.54 2.96 0.93 -4.99 118.68 123.23 1toq s LEU 106 Ca -0.06 -2.49 -0.28 0.00 -0.22 0.00 0.00 54.13 51.08 1toq s LEU 106 Cb -0.03 -0.93 -0.07 0.00 0.50 0.00 0.00 46.19 45.66 1toq s LEU 106 CO 0.04 -0.28 0.88 -2.16 -1.32 0.00 0.00 176.35 173.50 1toq s PRO 107 N 0.55 4.66 -0.28 0.98 0.05 -1.26 -2.30 135.00 137.40 1toq s PRO 107 Ca 0.17 1.31 -0.06 0.00 0.05 0.00 0.00 61.00 62.48 1toq s PRO 107 Cb -0.24 -3.33 0.01 0.00 0.05 0.00 0.00 34.50 30.99 1toq s PRO 107 CO -0.01 0.36 0.05 0.42 0.05 0.00 0.00 177.00 177.87 1toq s ILE 108 N -0.46 3.76 -0.04 0.56 1.01 -0.45 -4.98 121.20 120.59 1toq s ILE 108 Ca 0.42 -0.74 0.13 0.00 0.00 0.00 0.00 60.65 60.46 1toq s ILE 108 Cb -0.23 -2.93 -0.18 0.00 0.01 0.00 0.00 42.46 39.13 1toq s ILE 108 CO 0.28 0.11 0.88 -0.08 0.00 0.00 0.00 174.94 176.13 1toq h GLU 109 N 8.19 0.00 -2.30 2.79 4.81 -1.97 -3.46 114.58 122.65 1toq h GLU 109 Ca -0.32 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.88 1toq h GLU 109 Cb 1.12 0.00 -0.25 0.00 0.63 0.00 0.00 28.75 30.26 1toq h GLU 109 CO 0.60 0.54 -0.28 1.21 -0.73 0.00 0.00 179.01 180.34 1toq s ASN 110 N -6.16 -0.58 0.00 1.04 2.47 -1.26 -5.12 114.94 105.32 1toq s ASN 110 Ca -0.02 1.19 0.00 0.00 0.42 0.00 0.00 52.86 54.45 1toq s ASN 110 Cb 0.08 1.70 0.00 0.00 -1.45 0.00 0.00 41.25 41.59 1toq s ASN 110 CO 0.81 -0.23 0.00 0.61 -3.72 0.00 0.00 177.10 174.58 1toq n GLY 111 N 5.41 0.74 3.07 1.21 0.00 -1.26 -4.97 105.19 109.39 1toq n GLY 111 Ca -0.10 -2.12 -0.12 0.00 0.00 0.00 0.00 46.02 43.69 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 1.37 -0.04 0.99 1.02 -0.05 -4.99 118.68 116.98 1toq s LEU 112 Ca 0.00 0.24 -0.30 0.00 0.02 0.00 0.00 54.13 54.09 1toq s LEU 112 Cb 0.00 0.62 -0.03 0.00 0.02 0.00 0.00 46.19 46.80 1toq s LEU 112 CO 0.00 -0.13 1.10 -0.63 0.02 0.00 0.00 176.35 176.71 1toq s ILE 113 N -0.21 4.51 0.00 -0.59 -1.09 -1.26 -1.62 121.20 120.93 1toq s ILE 113 Ca -0.03 1.80 0.00 0.00 -2.23 0.00 0.00 60.65 60.19 1toq s ILE 113 Cb -0.03 -4.16 0.00 0.00 -1.58 0.00 0.00 42.46 36.70 1toq s ILE 113 CO 0.01 0.05 0.81 1.33 -1.23 0.00 0.00 174.94 175.90 1toq n VAL 114 N 4.36 0.64 -3.61 2.92 0.24 -0.14 -4.60 118.33 118.15 1toq n VAL 114 Ca 0.09 -0.67 -0.04 0.00 -2.04 0.00 0.00 64.34 61.68 1toq n VAL 114 Cb 0.48 0.70 -0.02 0.00 -1.47 0.00 0.00 33.84 33.53 1toq n VAL 114 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1toq s GLY 115 N -0.64 -0.23 0.13 7.63 0.00 -1.24 -1.20 107.32 111.76 1toq s GLY 115 Ca 0.00 1.81 0.05 0.00 0.00 0.00 0.00 44.72 46.59 1toq s GLY 115 CO 0.00 0.64 -0.13 -1.36 0.00 0.00 0.00 173.10 172.25 1toq s PHE 116 N -2.14 1.34 0.09 1.90 0.08 -1.26 -0.74 117.98 117.25 1toq s PHE 116 Ca 0.09 -0.61 -0.16 0.00 0.12 0.00 0.00 56.93 56.37 1toq s PHE 116 Cb -0.01 -0.69 0.03 0.00 -0.57 0.00 0.00 43.02 41.78 1toq s PHE 116 CO -0.04 0.12 0.39 -1.59 -0.10 0.00 0.00 175.22 174.00 1toq s LYS 117 N -2.95 1.00 0.00 0.44 -2.85 -0.66 -1.67 119.74 113.05 1toq s LYS 117 Ca 0.11 -0.60 0.00 0.00 -1.00 0.00 0.00 55.97 54.47 1toq s LYS 117 Cb -0.03 0.44 0.00 0.00 -2.06 0.00 0.00 37.83 36.18 1toq s LYS 117 CO 0.02 -0.37 0.00 0.41 0.10 0.00 0.00 175.35 175.51 1toq n GLY 118 N 0.04 -0.70 3.61 0.59 0.00 -0.49 0.65 105.19 108.90 1toq n GLY 118 Ca -0.17 -0.37 -0.11 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.81 -0.08 1.61 0.15 -0.80 -0.68 113.70 109.10 1toq s SER 119 Ca 0.00 1.44 0.01 0.00 0.70 0.00 0.00 55.95 58.10 1toq s SER 119 Cb 0.00 1.40 0.02 0.00 -1.71 0.00 0.00 66.02 65.73 1toq s SER 119 CO 0.00 -0.24 -0.09 -0.63 1.20 0.00 0.00 173.24 173.48 1toq s ILE 120 N 0.89 0.96 0.00 6.45 1.01 -0.73 -1.08 121.20 128.71 1toq s ILE 120 Ca -0.04 -0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.28 1toq s ILE 120 Cb -0.05 -0.93 0.00 0.00 0.01 0.00 0.00 42.46 41.49 1toq s ILE 120 CO -0.08 0.33 0.00 0.61 0.00 0.00 0.00 174.94 175.81 1toq n GLY 121 N 4.30 1.11 0.20 6.18 0.00 -1.26 -0.89 105.19 114.83 1toq n GLY 121 Ca -0.19 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.69 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 0.84 -2.44 1.61 -1.99 -1.95 0.42 116.97 113.46 1toq h TYR 122 Ca 0.00 -0.29 -0.53 0.00 2.00 0.00 0.00 58.73 59.91 1toq h TYR 122 Cb 0.00 -0.16 -0.13 0.00 2.00 0.00 0.00 36.73 38.44 1toq h TYR 122 CO 0.00 1.06 -0.57 -1.58 -0.00 0.00 0.00 178.16 177.07 1toq s TRP 123 N -4.12 1.94 -0.16 4.88 0.51 -1.26 -4.37 118.94 116.35 1toq s TRP 123 Ca -0.12 -1.04 -0.29 0.00 -2.12 0.00 0.00 56.10 52.53 1toq s TRP 123 Cb 0.08 -1.31 -0.04 0.00 -0.81 0.00 0.00 33.47 31.38 1toq s TRP 123 CO 0.84 -0.03 1.74 1.41 -0.51 0.00 0.00 176.95 180.39 1toq s MET 124 N -3.82 3.83 0.09 4.98 -2.45 0.55 -4.51 119.30 117.97 1toq s MET 124 Ca 0.29 1.92 -0.12 0.00 -1.25 0.00 0.00 55.69 56.54 1toq s MET 124 Cb 0.06 -4.08 -0.18 0.00 1.25 0.00 0.00 34.83 31.88 1toq s MET 124 CO 0.14 -1.27 1.25 -0.44 1.05 0.00 0.00 175.02 175.75 1toq h ASP 125 N 11.02 0.87 -5.02 1.11 3.32 -1.39 0.81 116.42 127.15 1toq h ASP 125 Ca -0.38 -0.65 0.23 0.00 0.02 0.00 0.00 57.03 56.25 1toq h ASP 125 Cb 1.18 -0.26 -0.14 0.00 0.22 0.00 0.00 39.33 40.33 1toq h ASP 125 CO 0.98 1.45 0.69 -0.72 -1.72 0.00 0.00 179.24 179.92 1toq s TYR 126 N -3.45 -0.14 0.05 4.55 -0.85 -1.23 -4.32 117.35 111.95 1toq s TYR 126 Ca -0.09 0.01 -0.24 0.00 -0.52 0.00 0.00 57.07 56.23 1toq s TYR 126 Cb 0.08 0.56 0.06 0.00 0.38 0.00 0.00 41.96 43.03 1toq s TYR 126 CO 0.91 -0.42 0.56 -0.59 -1.52 0.00 0.00 175.55 174.48 1toq s PHE 127 N -2.74 -0.48 0.19 -3.49 -0.71 -1.26 -1.90 117.98 107.59 1toq s PHE 127 Ca 0.11 0.57 0.05 0.00 -1.04 0.00 0.00 56.93 56.61 1toq s PHE 127 Cb 0.01 0.38 -0.05 0.00 -1.21 0.00 0.00 43.02 42.15 1toq s PHE 127 CO -0.04 -0.67 -0.07 -1.12 -1.34 0.00 0.00 175.22 171.98 1toq s SER 128 N -1.94 1.96 0.02 1.98 0.01 0.21 -4.96 113.70 110.98 1toq s SER 128 Ca -0.05 -1.09 0.07 0.00 1.31 0.00 0.00 55.95 56.18 1toq s SER 128 Cb -0.01 -0.03 -0.02 0.00 0.21 0.00 0.00 66.02 66.17 1toq s SER 128 CO -0.01 -0.37 -0.21 -0.04 0.41 0.00 0.00 173.24 173.01 1toq s MET 129 N -3.77 1.57 0.03 12.44 -1.94 -1.26 -1.66 119.30 124.71 1toq s MET 129 Ca 0.22 -0.88 -0.18 0.00 -1.71 0.00 0.00 55.69 53.14 1toq s MET 129 Cb 0.03 -1.62 -0.06 0.00 2.01 0.00 0.00 34.83 35.19 1toq s MET 129 CO 0.05 0.43 0.52 0.71 -0.01 0.00 0.00 175.02 176.71 1toq s TYR 130 N -0.67 3.75 -0.02 -0.03 1.51 0.08 -4.98 117.35 116.99 1toq s TYR 130 Ca 0.08 1.16 0.05 0.00 -1.01 0.00 0.00 57.07 57.35 1toq s TYR 130 Cb -0.09 -2.45 -0.01 0.00 -0.11 0.00 0.00 41.96 39.31 1toq s TYR 130 CO 0.01 0.56 -0.18 -0.51 -1.11 0.00 0.00 175.55 174.32 1toq s LEU 131 N -0.91 2.01 0.28 -1.29 1.02 -1.26 -0.96 118.68 117.57 1toq s LEU 131 Ca 0.27 -0.33 -0.10 0.00 0.02 0.00 0.00 54.13 53.99 1toq s LEU 131 Cb -0.18 -0.93 0.00 0.00 0.02 0.00 0.00 46.19 45.09 1toq s LEU 131 CO 0.17 0.21 0.49 -0.94 0.02 0.00 0.00 176.35 176.29 1toq s SER 132 N -0.32 0.14 0.00 2.29 1.04 -0.64 -4.93 113.70 111.28 1toq s SER 132 Ca 0.05 -1.08 0.29 0.00 0.48 0.00 0.00 55.95 55.68 1toq s SER 132 Cb -0.08 0.62 1.72 0.00 0.10 0.00 0.00 66.02 68.38 1toq s SER 132 CO -0.00 -1.21 2.06 0.18 0.98 0.00 0.00 173.24 175.25