#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jac s LYS 2 N 0.00 4.35 0.20 1.61 2.20 0.74 -4.73 119.74 124.11 1jac s LYS 2 Ca 0.00 0.59 -0.26 0.00 -0.36 0.00 0.00 55.97 55.94 1jac s LYS 2 Cb 0.00 -3.46 -0.08 0.00 -1.51 0.00 0.00 37.83 32.78 1jac s LYS 2 CO 0.00 0.08 0.83 0.00 -0.36 0.00 0.00 175.35 175.90 1jac s ALA 3 N 0.84 3.40 0.17 3.13 0.00 -1.26 -1.18 121.76 126.86 1jac s ALA 3 Ca 0.29 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.69 1jac s ALA 3 Cb -0.16 -3.03 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 1jac s ALA 3 CO 0.13 0.26 0.05 -0.59 0.00 0.00 0.00 175.76 175.61 1jac s PHE 4 N -1.22 1.13 -0.30 0.00 -0.71 0.14 -4.97 117.98 112.05 1jac s PHE 4 Ca 0.39 -1.16 -0.03 0.00 -1.04 0.00 0.00 56.93 55.08 1jac s PHE 4 Cb -0.23 -0.63 0.19 0.00 -1.21 0.00 0.00 43.02 41.14 1jac s PHE 4 CO 0.27 -0.39 0.79 0.34 -1.34 0.00 0.00 175.22 174.89 1jac s ASP 5 N -3.15 -1.07 0.13 1.98 -1.08 -1.26 -1.83 116.67 110.39 1jac s ASP 5 Ca 0.28 0.31 -0.09 0.00 -0.52 0.00 0.00 52.55 52.52 1jac s ASP 5 Cb 0.07 1.75 -0.08 0.00 -1.46 0.00 0.00 42.92 43.20 1jac s ASP 5 CO 0.05 -0.20 1.37 0.44 0.52 0.00 0.00 175.17 177.35 1jac h ASP 6 N 7.81 0.84 0.00 -0.34 3.32 -1.86 -3.49 116.42 122.69 1jac h ASP 6 Ca -0.10 -0.52 0.00 0.00 0.02 0.00 0.00 57.03 56.43 1jac h ASP 6 Cb 1.18 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.48 1jac h ASP 6 CO 0.07 1.30 0.00 0.61 -1.72 0.00 0.00 179.24 179.50 1jac n GLY 7 N 0.57 -1.08 3.44 2.75 0.00 -1.24 -4.99 105.19 104.64 1jac n GLY 7 Ca -0.06 -2.08 -0.33 0.00 0.00 0.00 0.00 46.02 43.55 1jac n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jac s ALA 8 N -2.00 2.63 0.00 4.61 0.00 -1.26 -3.73 121.76 122.01 1jac s ALA 8 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.00 1jac s ALA 8 Cb 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 23.12 22.09 1jac s ALA 8 CO 0.00 0.46 0.00 1.19 0.00 0.00 0.00 175.76 177.41 1jac n PHE 9 N 2.70 0.00 0.01 0.00 3.01 -0.34 -5.02 117.46 117.81 1jac n PHE 9 Ca -0.17 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.18 1jac n PHE 9 Cb 0.52 0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 39.86 1jac n PHE 9 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1jac h THR 10 N 0.45 1.02 -1.73 4.37 2.02 -1.58 -3.47 112.91 114.00 1jac h THR 10 Ca 0.00 -2.81 0.09 0.00 0.77 0.00 0.00 66.41 64.46 1jac h THR 10 Cb 0.00 2.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.94 1jac h THR 10 CO 0.00 0.65 0.26 0.61 0.37 0.00 0.00 175.52 177.41 1jac n GLY 11 N 1.57 0.78 3.18 2.16 0.00 -1.17 -4.96 105.19 106.76 1jac n GLY 11 Ca -0.15 -0.96 -0.31 0.00 0.00 0.00 0.00 46.02 44.61 1jac n GLY 11 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jac s ILE 12 N -2.25 1.88 -0.24 -0.61 1.01 -1.26 -1.08 121.20 118.65 1jac s ILE 12 Ca 0.09 -0.91 0.02 0.00 0.00 0.00 0.00 60.65 59.85 1jac s ILE 12 Cb -0.01 -1.64 -0.15 0.00 0.01 0.00 0.00 42.46 40.67 1jac s ILE 12 CO 0.01 0.52 -0.21 0.54 0.00 0.00 0.00 174.94 175.80 1jac n ARG 13 N 3.60 0.59 -3.65 2.79 1.74 -0.73 -4.74 116.66 116.27 1jac n ARG 13 Ca -0.20 0.14 -0.15 0.00 -0.77 0.00 0.00 57.85 56.87 1jac n ARG 13 Cb 0.53 -1.47 -0.07 0.00 -1.02 0.00 0.00 32.46 30.42 1jac n ARG 13 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1jac s GLU 14 N -2.47 0.88 -0.06 5.56 2.12 -0.98 -1.36 118.70 122.38 1jac s GLU 14 Ca -0.32 -0.11 0.01 0.00 0.36 0.00 0.00 54.97 54.92 1jac s GLU 14 Cb 0.08 0.40 0.02 0.00 0.26 0.00 0.00 34.13 34.89 1jac s GLU 14 CO 0.55 -0.28 -0.05 0.42 -0.54 0.00 0.00 175.26 175.36 1jac s ILE 15 N -1.66 0.63 -0.33 -3.70 1.01 0.53 -1.43 121.20 116.24 1jac s ILE 15 Ca -0.10 -0.14 0.04 0.00 0.00 0.00 0.00 60.65 60.44 1jac s ILE 15 Cb -0.02 -0.66 0.10 0.00 0.01 0.00 0.00 42.46 41.89 1jac s ILE 15 CO 0.04 0.26 0.03 0.20 0.00 0.00 0.00 174.94 175.47 1jac s ASN 16 N 1.11 4.73 0.50 3.58 0.01 -0.20 -0.06 114.94 124.61 1jac s ASN 16 Ca -0.08 -2.07 0.05 0.00 -0.71 0.00 0.00 52.86 50.05 1jac s ASN 16 Cb -0.14 -1.61 -0.00 0.00 0.41 0.00 0.00 41.25 39.91 1jac s ASN 16 CO -0.01 -0.36 0.22 -1.48 -1.51 0.00 0.00 177.10 173.96 1jac s LEU 17 N 0.93 2.67 0.02 0.60 0.05 -1.12 -1.49 118.68 120.34 1jac s LEU 17 Ca 0.09 -1.34 -0.02 0.00 0.05 0.00 0.00 54.13 52.92 1jac s LEU 17 Cb -0.19 -1.10 -0.02 0.00 -2.05 0.00 0.00 46.19 42.83 1jac s LEU 17 CO -0.08 -0.88 0.01 -0.55 -0.55 0.00 0.00 176.35 174.29 1jac s SER 18 N -4.06 0.20 0.33 1.48 0.15 -0.60 -2.18 113.70 109.03 1jac s SER 18 Ca 0.27 -0.45 -0.04 0.00 0.70 0.00 0.00 55.95 56.43 1jac s SER 18 Cb 0.01 0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.44 1jac s SER 18 CO 0.16 -0.32 0.49 -0.72 1.20 0.00 0.00 173.24 174.05 1jac s TYR 19 N -1.49 0.94 -0.09 3.44 1.13 -0.79 -0.62 117.35 119.88 1jac s TYR 19 Ca -0.15 -1.21 -0.04 0.00 -1.41 0.00 0.00 57.07 54.26 1jac s TYR 19 Cb -0.09 -0.01 0.04 0.00 -1.10 0.00 0.00 41.96 40.81 1jac s TYR 19 CO -0.01 -1.14 0.19 1.21 -2.51 0.00 0.00 175.55 173.29 1jac s ASN 20 N -3.20 -0.03 0.18 -0.18 3.84 -1.10 -0.85 114.94 113.61 1jac s ASN 20 Ca 0.29 0.40 0.15 0.00 0.21 0.00 0.00 52.86 53.91 1jac s ASN 20 Cb -0.01 0.31 0.75 0.00 -0.55 0.00 0.00 41.25 41.76 1jac s ASN 20 CO 0.18 -0.17 1.47 0.29 -2.79 0.00 0.00 177.10 176.08 1jac n LYS 21 N 4.44 0.10 -0.03 0.43 5.02 -1.26 -3.08 118.16 123.77 1jac n LYS 21 Ca -0.22 0.50 0.00 0.00 -2.02 0.00 0.00 58.31 56.58 1jac n LYS 21 Cb 0.52 -1.76 -0.09 0.00 -0.02 0.00 0.00 35.03 33.68 1jac n LYS 21 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1jac n GLU 22 N -1.95 1.28 0.00 1.97 1.02 -1.26 -4.54 120.64 117.15 1jac n GLU 22 Ca 0.00 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 1jac n GLU 22 Cb 0.08 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 1jac n GLU 22 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1jac n THR 23 N -2.15 0.00 -3.37 2.62 -2.24 -1.18 -4.97 114.28 103.00 1jac n THR 23 Ca -0.10 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1jac n THR 23 Cb 0.57 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.61 1jac n THR 23 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jac n ALA 24 N -3.00 -0.18 -1.76 6.98 0.00 -1.23 -4.41 120.51 116.91 1jac n ALA 24 Ca 0.00 -0.08 -0.40 0.00 0.00 0.00 0.00 53.44 52.96 1jac n ALA 24 Cb 0.00 0.05 -0.04 0.00 0.00 0.00 0.00 19.45 19.46 1jac n ALA 24 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1jac s ILE 25 N -2.62 3.40 0.00 0.00 1.09 -1.17 -2.69 121.20 119.20 1jac s ILE 25 Ca 0.02 1.35 0.00 0.00 -1.10 0.00 0.00 60.65 60.92 1jac s ILE 25 Cb -0.00 -3.84 0.00 0.00 -1.06 0.00 0.00 42.46 37.56 1jac s ILE 25 CO 0.01 0.28 0.00 0.61 -0.10 0.00 0.00 174.94 175.73 1jac n GLY 26 N 1.01 0.66 3.69 6.18 0.00 0.21 -1.08 105.19 115.87 1jac n GLY 26 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 1jac n GLY 26 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1jac n ASP 27 N 0.00 1.63 -3.67 1.61 8.00 -1.26 -4.28 116.55 118.58 1jac n ASP 27 Ca 0.00 0.81 -0.09 0.00 0.71 0.00 0.00 54.79 56.22 1jac n ASP 27 Cb 0.00 -1.50 -0.10 0.00 -0.02 0.00 0.00 41.12 39.50 1jac n ASP 27 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1jac s PHE 28 N -1.44 -0.76 0.05 1.24 5.36 -0.51 -1.55 117.98 120.37 1jac s PHE 28 Ca 0.81 1.49 -0.14 0.00 -0.96 0.00 0.00 56.93 58.13 1jac s PHE 28 Cb -0.39 0.32 0.02 0.00 -0.34 0.00 0.00 43.02 42.64 1jac s PHE 28 CO 0.42 -0.44 0.32 -1.14 -1.46 0.00 0.00 175.22 172.92 1jac s GLN 29 N 2.11 0.83 -0.15 10.12 -0.44 -0.56 -1.64 119.66 129.94 1jac s GLN 29 Ca -0.05 -0.50 -0.12 0.00 -2.50 0.00 0.00 55.36 52.19 1jac s GLN 29 Cb -0.10 0.36 0.04 0.00 -1.64 0.00 0.00 33.01 31.67 1jac s GLN 29 CO -0.13 -0.27 0.38 0.54 0.50 0.00 0.00 175.29 176.30 1jac s VAL 30 N -2.60 -0.01 -0.24 1.34 0.11 -1.26 -1.03 120.40 116.71 1jac s VAL 30 Ca -0.05 0.02 -0.08 0.00 -2.93 0.00 0.00 61.98 58.94 1jac s VAL 30 Cb -0.01 -0.54 -0.04 0.00 -1.53 0.00 0.00 36.38 34.27 1jac s VAL 30 CO -0.04 0.01 0.10 0.68 -3.33 0.00 0.00 175.10 172.52 1jac s VAL 31 N 0.46 4.65 0.60 2.04 -7.23 -0.51 -1.50 120.40 118.91 1jac s VAL 31 Ca -0.02 -0.06 0.05 0.00 -1.81 0.00 0.00 61.98 60.14 1jac s VAL 31 Cb -0.04 -3.17 0.08 0.00 0.56 0.00 0.00 36.38 33.81 1jac s VAL 31 CO -0.02 0.34 0.82 -0.31 -0.31 0.00 0.00 175.10 175.62 1jac s TYR 32 N 1.40 1.86 -0.17 2.82 1.51 0.60 -1.77 117.35 123.62 1jac s TYR 32 Ca 0.06 -0.44 -0.07 0.00 -1.01 0.00 0.00 57.07 55.61 1jac s TYR 32 Cb -0.15 -2.56 -0.04 0.00 -0.11 0.00 0.00 41.96 39.10 1jac s TYR 32 CO 0.05 -1.19 0.07 0.34 -1.11 0.00 0.00 175.55 173.71 1jac s ASP 33 N -4.61 5.72 -0.45 2.29 2.15 -0.24 -0.18 116.67 121.35 1jac s ASP 33 Ca 0.62 0.14 0.03 0.00 0.43 0.00 0.00 52.55 53.76 1jac s ASP 33 Cb -0.07 -1.94 0.13 0.00 -0.30 0.00 0.00 42.92 40.74 1jac s ASP 33 CO 0.40 0.22 0.23 -0.22 -0.17 0.00 0.00 175.17 175.62 1jac s LEU 34 N 0.12 3.28 -1.26 -1.34 2.96 0.11 -1.66 118.68 120.88 1jac s LEU 34 Ca 0.05 -2.67 -0.04 0.00 -0.22 0.00 0.00 54.13 51.26 1jac s LEU 34 Cb -0.12 -1.25 -0.01 0.00 0.50 0.00 0.00 46.19 45.32 1jac s LEU 34 CO 0.00 -0.27 0.73 0.59 -1.32 0.00 0.00 176.35 176.09 1jac n ASN 35 N 3.52 -2.31 0.00 3.68 5.03 -1.26 -1.78 115.26 122.13 1jac n ASN 35 Ca 0.07 -0.84 0.00 0.00 0.87 0.00 0.00 54.58 54.67 1jac n ASN 35 Cb 0.34 -4.06 0.00 0.00 -1.02 0.00 0.00 39.78 35.04 1jac n ASN 35 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jac n GLY 36 N -1.56 1.01 3.20 7.41 0.00 -1.26 -5.02 105.19 108.97 1jac n GLY 36 Ca -0.25 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.48 1jac n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jac s SER 37 N -3.01 2.72 0.75 1.61 0.01 -0.74 -5.12 113.70 109.92 1jac s SER 37 Ca 0.00 -0.46 -0.15 0.00 1.31 0.00 0.00 55.95 56.65 1jac s SER 37 Cb 0.00 -0.87 0.02 0.00 0.21 0.00 0.00 66.02 65.38 1jac s SER 37 CO 0.00 0.19 0.92 -2.65 0.41 0.00 0.00 173.24 172.10 1jac n PRO 38 N 3.16 0.36 -3.41 12.44 -0.02 -1.26 0.06 135.00 146.32 1jac n PRO 38 Ca -0.18 0.18 -0.15 0.00 -2.02 0.00 0.00 63.50 61.33 1jac n PRO 38 Cb 0.52 -2.19 -0.10 0.00 -0.02 0.00 0.00 33.50 31.72 1jac n PRO 38 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1jac s TYR 39 N -1.93 -0.53 -0.54 6.00 6.14 0.75 -4.67 117.35 122.57 1jac s TYR 39 Ca 0.71 0.29 -0.28 0.00 0.64 0.00 0.00 57.07 58.43 1jac s TYR 39 Cb -0.33 -0.27 0.02 0.00 0.42 0.00 0.00 41.96 41.81 1jac s TYR 39 CO 0.53 -0.75 1.26 0.14 0.64 0.00 0.00 175.55 177.37 1jac s VAL 40 N 2.41 3.98 1.03 3.14 -7.23 -1.26 -0.29 120.40 122.18 1jac s VAL 40 Ca 0.09 0.90 -0.12 0.00 -1.81 0.00 0.00 61.98 61.05 1jac s VAL 40 Cb -0.15 -4.59 0.21 0.00 0.56 0.00 0.00 36.38 32.41 1jac s VAL 40 CO -0.20 -1.19 1.08 -0.83 -0.31 0.00 0.00 175.10 173.65 1jac s GLY 41 N 3.34 1.61 0.56 2.32 0.00 -0.56 -4.96 107.32 109.62 1jac s GLY 41 Ca 0.48 0.17 -0.19 0.00 0.00 0.00 0.00 44.72 45.18 1jac s GLY 41 CO 0.27 0.74 1.14 1.62 0.00 0.00 0.00 173.10 176.86 1jac s GLN 42 N -4.59 3.27 -0.25 2.90 2.00 -1.26 -4.69 119.66 117.03 1jac s GLN 42 Ca 0.67 1.62 -0.21 0.00 -2.00 0.00 0.00 55.36 55.44 1jac s GLN 42 Cb -0.23 -1.99 -0.02 0.00 0.80 0.00 0.00 33.01 31.57 1jac s GLN 42 CO 0.61 -0.92 0.65 1.21 -0.50 0.00 0.00 175.29 176.34 1jac s ASN 43 N -1.82 6.60 -0.62 6.67 3.84 -1.26 -4.53 114.94 123.83 1jac s ASN 43 Ca 0.73 0.73 -0.15 0.00 0.21 0.00 0.00 52.86 54.38 1jac s ASN 43 Cb -0.24 -2.35 0.15 0.00 -0.55 0.00 0.00 41.25 38.27 1jac s ASN 43 CO 0.29 -0.38 0.57 -1.00 -2.79 0.00 0.00 177.10 173.78 1jac s HIS 44 N 2.53 3.39 0.41 0.43 3.76 -0.65 -5.02 115.29 120.14 1jac s HIS 44 Ca 0.27 -1.49 -0.11 0.00 -0.15 0.00 0.00 55.06 53.58 1jac s HIS 44 Cb -0.15 -3.80 -0.07 0.00 1.11 0.00 0.00 32.58 29.67 1jac s HIS 44 CO 0.08 -1.01 0.78 0.15 -0.85 0.00 0.00 174.74 173.90 1jac s LYS 45 N 1.21 3.80 0.65 1.40 1.02 -1.26 -1.42 119.74 125.12 1jac s LYS 45 Ca 0.07 0.51 -0.12 0.00 0.02 0.00 0.00 55.97 56.45 1jac s LYS 45 Cb -0.25 -2.37 -0.02 0.00 -0.52 0.00 0.00 37.83 34.67 1jac s LYS 45 CO -0.00 -0.05 1.04 0.45 -0.92 0.00 0.00 175.35 175.87 1jac s SER 46 N -3.13 5.81 0.35 2.83 0.15 -1.26 -4.83 113.70 113.62 1jac s SER 46 Ca 0.52 1.56 0.17 0.00 0.70 0.00 0.00 55.95 58.90 1jac s SER 46 Cb -0.10 -2.49 0.56 0.00 -1.71 0.00 0.00 66.02 62.27 1jac s SER 46 CO 0.31 -1.15 1.68 -0.26 1.20 0.00 0.00 173.24 175.02 1jac h PHE 47 N -0.36 0.00 -4.83 3.44 0.04 -1.11 -3.46 116.94 110.66 1jac h PHE 47 Ca -0.44 0.00 -0.35 0.00 2.80 0.00 0.00 57.97 59.97 1jac h PHE 47 Cb 1.20 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 39.30 1jac h PHE 47 CO 0.63 0.43 -0.22 0.44 -0.60 0.00 0.00 178.31 179.00 1jac n ILE 48 N -3.52 0.00 -3.95 -0.55 -5.35 -1.26 -5.04 119.36 99.69 1jac n ILE 48 Ca -0.00 -1.31 0.00 0.00 -0.27 0.00 0.00 62.75 61.17 1jac n ILE 48 Cb 0.56 0.03 0.00 0.00 -1.74 0.00 0.00 39.64 38.48 1jac n ILE 48 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1jac n THR 49 N -0.98 0.00 -1.02 7.28 -2.24 -1.26 -4.96 114.28 111.11 1jac n THR 49 Ca -0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1jac n THR 49 Cb 0.36 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 1jac n THR 49 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jac n GLY 50 N 2.41 1.16 3.93 3.38 0.00 -1.26 -5.09 105.19 109.73 1jac n GLY 50 Ca 0.00 -0.40 -0.19 0.00 0.00 0.00 0.00 46.02 45.42 1jac n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jac s PHE 51 N -2.12 2.84 -0.19 1.61 0.08 -1.26 -4.91 117.98 114.04 1jac s PHE 51 Ca 0.00 -0.39 -0.04 0.00 0.12 0.00 0.00 56.93 56.62 1jac s PHE 51 Cb 0.00 -2.14 -0.02 0.00 -0.57 0.00 0.00 43.02 40.29 1jac s PHE 51 CO 0.00 -0.14 -0.03 0.99 -0.10 0.00 0.00 175.22 175.94 1jac s THR 52 N -2.36 3.69 0.47 0.64 2.01 -0.03 -4.91 115.64 115.16 1jac s THR 52 Ca 0.48 -0.41 -0.19 0.00 0.31 0.00 0.00 61.69 61.89 1jac s THR 52 Cb -0.07 -2.65 -0.09 0.00 0.01 0.00 0.00 72.50 69.70 1jac s THR 52 CO 0.30 0.45 0.96 -2.84 -0.69 0.00 0.00 174.62 172.79 1jac s PRO 53 N 0.96 4.09 -0.05 4.92 0.02 -1.26 -1.89 135.00 141.79 1jac s PRO 53 Ca 0.00 1.03 -0.03 0.00 0.02 0.00 0.00 61.00 62.02 1jac s PRO 53 Cb -0.15 -2.17 0.02 0.00 0.02 0.00 0.00 34.50 32.23 1jac s PRO 53 CO 0.01 -0.14 0.12 0.08 -0.33 0.00 0.00 177.00 176.74 1jac s VAL 54 N -2.39 -0.02 -0.15 3.83 1.01 -0.92 -4.99 120.40 116.76 1jac s VAL 54 Ca 0.60 0.08 -0.00 0.00 0.00 0.00 0.00 61.98 62.66 1jac s VAL 54 Cb -0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 36.38 36.09 1jac s VAL 54 CO 0.22 0.03 -0.14 -0.75 0.00 0.00 0.00 175.10 174.47 1jac s LYS 55 N 0.56 3.28 -0.52 2.72 2.20 -1.26 -2.80 119.74 123.92 1jac s LYS 55 Ca -0.04 -0.72 0.00 0.00 -0.36 0.00 0.00 55.97 54.85 1jac s LYS 55 Cb -0.06 -2.66 0.14 0.00 -1.51 0.00 0.00 37.83 33.74 1jac s LYS 55 CO -0.03 0.05 0.30 0.42 -0.36 0.00 0.00 175.35 175.73 1jac s ILE 56 N 0.74 3.10 -0.30 5.43 1.01 0.92 -4.99 121.20 127.11 1jac s ILE 56 Ca -0.06 -2.87 -0.18 0.00 0.00 0.00 0.00 60.65 57.54 1jac s ILE 56 Cb -0.15 -3.10 -0.02 0.00 0.01 0.00 0.00 42.46 39.20 1jac s ILE 56 CO 0.01 -0.79 0.50 -0.44 0.00 0.00 0.00 174.94 174.22 1jac s SER 57 N 0.55 6.36 0.31 3.58 0.01 -1.26 -0.35 113.70 122.91 1jac s SER 57 Ca 0.15 0.26 -0.03 0.00 1.31 0.00 0.00 55.95 57.64 1jac s SER 57 Cb -0.22 -2.27 -0.04 0.00 0.21 0.00 0.00 66.02 63.69 1jac s SER 57 CO -0.03 -0.36 0.55 -0.76 0.41 0.00 0.00 173.24 173.05 1jac s LEU 58 N 2.33 4.03 -1.30 2.44 2.01 -0.46 -4.97 118.68 122.76 1jac s LEU 58 Ca 0.19 0.62 -0.14 0.00 0.01 0.00 0.00 54.13 54.81 1jac s LEU 58 Cb -0.16 -3.45 0.11 0.00 0.01 0.00 0.00 46.19 42.70 1jac s LEU 58 CO 0.11 -0.23 1.75 0.47 1.01 0.00 0.00 176.35 179.46 1jac n ASP 59 N -1.24 4.88 0.00 2.29 9.92 -1.26 -4.85 116.55 126.28 1jac n ASP 59 Ca -0.03 -2.96 0.00 0.00 -0.53 0.00 0.00 54.79 51.28 1jac n ASP 59 Cb 0.55 -1.63 0.00 0.00 -0.64 0.00 0.00 41.12 39.39 1jac n ASP 59 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1jac n PHE 60 N 6.36 0.00 -0.14 1.24 7.35 -1.26 -0.99 117.46 130.02 1jac n PHE 60 Ca 0.44 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 57.04 1jac n PHE 60 Cb 0.42 0.00 -0.00 0.00 0.35 0.00 0.00 39.48 40.25 1jac n PHE 60 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 1jac h PRO 61 N 0.00 0.59 -0.21 -7.13 0.11 -1.92 -3.29 132.00 120.15 1jac h PRO 61 Ca 0.00 -0.09 -0.11 0.00 0.11 0.00 0.00 66.00 65.91 1jac h PRO 61 Cb 0.00 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.00 1jac h PRO 61 CO 0.00 0.52 -0.29 0.66 -0.21 0.00 0.00 178.00 178.68 1jac h SER 62 N 0.52 0.62 -3.53 -2.05 4.64 -1.73 -3.43 113.55 108.60 1jac h SER 62 Ca 0.14 -0.51 -0.61 0.00 -0.47 0.00 0.00 61.79 60.34 1jac h SER 62 Cb 0.13 -0.18 -0.13 0.00 -0.31 0.00 0.00 62.40 61.91 1jac h SER 62 CO -0.02 1.01 -0.33 -0.70 -0.87 0.00 0.00 176.83 175.92 1jac s GLU 63 N -4.20 4.12 0.04 4.77 2.12 -0.16 -4.95 118.70 120.43 1jac s GLU 63 Ca -0.13 -0.01 0.00 0.00 0.36 0.00 0.00 54.97 55.20 1jac s GLU 63 Cb 0.07 -3.54 -0.03 0.00 0.26 0.00 0.00 34.13 30.89 1jac s GLU 63 CO 0.81 -0.00 -0.04 1.52 -0.54 0.00 0.00 175.26 177.00 1jac s TYR 64 N 1.23 0.45 0.14 5.30 -0.85 -1.26 -4.37 117.35 117.99 1jac s TYR 64 Ca 0.14 -0.65 -0.30 0.00 -0.52 0.00 0.00 57.07 55.74 1jac s TYR 64 Cb -0.14 -0.30 -0.07 0.00 0.38 0.00 0.00 41.96 41.83 1jac s TYR 64 CO 0.06 -0.20 1.13 0.42 -1.52 0.00 0.00 175.55 175.45 1jac s ILE 65 N -2.04 3.93 -0.04 -3.49 1.01 -1.26 -2.37 121.20 116.94 1jac s ILE 65 Ca -0.08 1.56 0.09 0.00 0.00 0.00 0.00 60.65 62.21 1jac s ILE 65 Cb -0.06 -4.00 -0.13 0.00 0.01 0.00 0.00 42.46 38.29 1jac s ILE 65 CO -0.03 0.22 0.20 0.23 0.00 0.00 0.00 174.94 175.56 1jac n MET 66 N 2.89 0.55 -3.64 2.79 2.81 0.13 -4.68 117.12 117.97 1jac n MET 66 Ca 0.05 -0.07 -0.13 0.00 -1.81 0.00 0.00 57.70 55.74 1jac n MET 66 Cb 0.46 -1.18 -0.07 0.00 -0.71 0.00 0.00 33.22 31.72 1jac n MET 66 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1jac s GLU 67 N -2.53 0.78 -0.08 0.03 2.12 -0.94 -0.24 118.70 117.84 1jac s GLU 67 Ca -0.03 1.01 0.04 0.00 0.36 0.00 0.00 54.97 56.35 1jac s GLU 67 Cb 0.06 0.34 -0.01 0.00 0.26 0.00 0.00 34.13 34.77 1jac s GLU 67 CO 0.35 -0.11 -0.20 0.08 -0.54 0.00 0.00 175.26 174.85 1jac s VAL 68 N 0.63 2.50 0.24 3.70 1.01 -0.89 -1.26 120.40 126.33 1jac s VAL 68 Ca -0.02 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.11 1jac s VAL 68 Cb -0.05 -1.97 -0.05 0.00 0.00 0.00 0.00 36.38 34.31 1jac s VAL 68 CO -0.03 0.56 -0.03 -0.44 0.00 0.00 0.00 175.10 175.16 1jac s SER 69 N -0.02 2.10 0.00 3.32 0.01 -0.53 -0.08 113.70 118.49 1jac s SER 69 Ca -0.06 -1.20 0.00 0.00 1.31 0.00 0.00 55.95 56.00 1jac s SER 69 Cb -0.15 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.04 1jac s SER 69 CO 0.05 -0.45 0.00 0.61 0.41 0.00 0.00 173.24 173.86 1jac n GLY 70 N -0.45 -1.29 2.92 3.44 0.00 -0.81 -0.76 105.19 108.24 1jac n GLY 70 Ca -0.05 -0.92 -0.13 0.00 0.00 0.00 0.00 46.02 44.92 1jac n GLY 70 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jac s TYR 71 N -2.95 0.20 -0.11 1.61 2.02 -0.61 -2.02 117.35 115.48 1jac s TYR 71 Ca 0.00 -0.14 0.00 0.00 -0.37 0.00 0.00 57.07 56.56 1jac s TYR 71 Cb 0.00 -0.13 -0.02 0.00 -0.40 0.00 0.00 41.96 41.41 1jac s TYR 71 CO 0.00 -0.04 -0.11 0.95 -1.57 0.00 0.00 175.55 174.78 1jac s THR 72 N -0.35 3.29 0.19 -0.71 -4.23 -0.12 0.59 115.64 114.30 1jac s THR 72 Ca -0.03 -0.60 -0.01 0.00 -1.18 0.00 0.00 61.69 59.88 1jac s THR 72 Cb -0.03 -2.37 0.00 0.00 1.34 0.00 0.00 72.50 71.45 1jac s THR 72 CO -0.00 0.54 0.26 0.61 -0.54 0.00 0.00 174.62 175.49 1jac n GLY 73 N 3.08 2.60 3.21 3.99 0.00 0.20 -0.49 105.19 117.79 1jac n GLY 73 Ca -0.18 -1.51 -0.34 0.00 0.00 0.00 0.00 46.02 43.99 1jac n GLY 73 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1jac s ASN 74 N -2.17 3.70 -0.09 1.61 3.84 -1.26 -0.38 114.94 120.20 1jac s ASN 74 Ca 0.16 -0.52 -0.02 0.00 0.21 0.00 0.00 52.86 52.69 1jac s ASN 74 Cb -0.00 -1.61 0.03 0.00 -0.55 0.00 0.00 41.25 39.12 1jac s ASN 74 CO 0.11 -0.01 0.01 0.54 -2.79 0.00 0.00 177.10 174.96 1jac s VAL 75 N 1.38 0.40 -1.22 -5.21 0.11 -0.14 -4.78 120.40 110.94 1jac s VAL 75 Ca 0.05 0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.13 1jac s VAL 75 Cb -0.14 -0.60 0.00 0.00 -1.53 0.00 0.00 36.38 34.11 1jac s VAL 75 CO -0.08 0.19 0.00 -0.24 -3.33 0.00 0.00 175.10 171.64 1jac n SER 76 N 5.13 -4.31 0.00 3.54 2.88 -1.26 -2.70 113.62 116.90 1jac n SER 76 Ca -0.07 0.04 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 1jac n SER 76 Cb 0.50 -3.41 0.00 0.00 -0.75 0.00 0.00 64.21 60.54 1jac n SER 76 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jac n GLY 77 N -1.06 2.83 3.74 0.46 0.00 -1.26 -5.03 105.19 104.87 1jac n GLY 77 Ca -0.16 -0.74 -0.41 0.00 0.00 0.00 0.00 46.02 44.71 1jac n GLY 77 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jac s TYR 78 N -0.62 3.36 -0.18 1.61 2.02 -1.10 -4.97 117.35 117.48 1jac s TYR 78 Ca 0.00 1.37 -0.22 0.00 -0.37 0.00 0.00 57.07 57.85 1jac s TYR 78 Cb 0.00 -3.49 -0.02 0.00 -0.40 0.00 0.00 41.96 38.04 1jac s TYR 78 CO 0.00 -1.43 0.66 0.54 -1.57 0.00 0.00 175.55 173.76 1jac s VAL 79 N -0.11 5.00 0.38 0.71 0.11 -1.26 -0.97 120.40 124.27 1jac s VAL 79 Ca 0.53 1.27 0.05 0.00 -2.93 0.00 0.00 61.98 60.91 1jac s VAL 79 Cb -0.34 -3.98 -0.02 0.00 -1.53 0.00 0.00 36.38 30.50 1jac s VAL 79 CO 0.38 0.11 0.20 0.68 -3.33 0.00 0.00 175.10 173.15 1jac s VAL 80 N 1.82 0.29 -0.59 2.04 -7.23 0.49 -4.82 120.40 112.41 1jac s VAL 80 Ca 0.31 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 58.28 1jac s VAL 80 Cb -0.16 -2.39 0.09 0.00 0.56 0.00 0.00 36.38 34.48 1jac s VAL 80 CO 0.11 0.00 0.74 -0.69 -0.31 0.00 0.00 175.10 174.95 1jac s VAL 81 N -3.31 4.74 0.15 1.32 1.01 -0.31 -0.63 120.40 123.38 1jac s VAL 81 Ca 0.31 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.42 1jac s VAL 81 Cb 0.02 -4.50 -0.13 0.00 0.00 0.00 0.00 36.38 31.77 1jac s VAL 81 CO 0.20 -1.14 1.39 0.03 0.00 0.00 0.00 175.10 175.58 1jac h ARG 82 N 9.23 0.48 -4.79 2.72 3.08 -0.14 -3.10 114.38 121.86 1jac h ARG 82 Ca -0.29 -0.41 -0.26 0.00 0.07 0.00 0.00 59.98 59.09 1jac h ARG 82 Cb 1.09 0.09 -0.15 0.00 0.08 0.00 0.00 29.97 31.08 1jac h ARG 82 CO 1.10 1.05 -0.70 0.45 -1.07 0.00 0.00 179.97 180.79 1jac s SER 83 N -7.02 1.34 -0.22 7.04 0.15 -1.07 -1.21 113.70 112.72 1jac s SER 83 Ca -0.07 -0.99 -0.15 0.00 0.70 0.00 0.00 55.95 55.44 1jac s SER 83 Cb 0.10 0.06 0.06 0.00 -1.71 0.00 0.00 66.02 64.53 1jac s SER 83 CO 0.86 -0.41 0.55 -0.22 1.20 0.00 0.00 173.24 175.22 1jac s LEU 84 N -3.02 -0.35 -0.01 3.45 2.96 -0.87 -1.58 118.68 119.26 1jac s LEU 84 Ca 0.12 1.16 0.00 0.00 -0.22 0.00 0.00 54.13 55.20 1jac s LEU 84 Cb 0.04 1.87 0.01 0.00 0.50 0.00 0.00 46.19 48.61 1jac s LEU 84 CO -0.03 -0.21 0.01 0.42 -1.32 0.00 0.00 176.35 175.22 1jac s THR 85 N 1.03 0.02 -0.18 3.68 -4.23 0.06 -1.30 115.64 114.71 1jac s THR 85 Ca -0.06 0.07 -0.03 0.00 -1.18 0.00 0.00 61.69 60.49 1jac s THR 85 Cb -0.06 -0.07 -0.01 0.00 1.34 0.00 0.00 72.50 73.70 1jac s THR 85 CO -0.09 0.05 -0.06 -0.36 -0.54 0.00 0.00 174.62 173.61 1jac s PHE 86 N 0.42 2.93 -0.27 3.99 0.08 -1.11 -1.45 117.98 122.57 1jac s PHE 86 Ca -0.04 -0.74 -0.05 0.00 0.12 0.00 0.00 56.93 56.23 1jac s PHE 86 Cb -0.05 -2.01 0.01 0.00 -0.57 0.00 0.00 43.02 40.40 1jac s PHE 86 CO -0.01 -0.36 0.02 0.21 -0.10 0.00 0.00 175.22 174.98 1jac s LYS 87 N 0.97 3.01 0.55 0.44 2.47 -0.39 -0.25 119.74 126.54 1jac s LYS 87 Ca -0.00 -0.89 0.07 0.00 -1.56 0.00 0.00 55.97 53.58 1jac s LYS 87 Cb -0.15 -3.22 0.06 0.00 -1.46 0.00 0.00 37.83 33.06 1jac s LYS 87 CO 0.00 -0.42 0.55 0.95 0.16 0.00 0.00 175.35 176.60 1jac s THR 88 N 1.43 1.85 -0.09 3.43 -4.23 -0.30 -0.69 115.64 117.03 1jac s THR 88 Ca 0.02 -1.30 0.30 0.00 -1.18 0.00 0.00 61.69 59.52 1jac s THR 88 Cb -0.17 -2.15 0.33 0.00 1.34 0.00 0.00 72.50 71.85 1jac s THR 88 CO -0.00 0.00 1.89 -0.55 -0.54 0.00 0.00 174.62 175.42 1jac h ASN 89 N 0.54 0.00 0.00 3.99 -1.07 -1.83 -3.31 115.58 113.89 1jac h ASN 89 Ca -0.34 0.00 -0.27 0.00 0.07 0.00 0.00 56.30 55.76 1jac h ASN 89 Cb 1.30 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 37.50 1jac h ASN 89 CO 0.51 0.00 -2.00 0.29 0.07 0.00 0.00 177.43 176.29 1jac n LYS 90 N -2.70 1.06 -3.88 4.14 5.02 -1.26 -5.07 118.16 115.47 1jac n LYS 90 Ca 0.01 0.05 -0.09 0.00 -2.02 0.00 0.00 58.31 56.26 1jac n LYS 90 Cb 0.24 -1.36 -0.05 0.00 -0.02 0.00 0.00 35.03 33.84 1jac n LYS 90 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1jac s LYS 91 N -2.35 1.44 -0.22 1.97 2.20 -1.25 -5.14 119.74 116.39 1jac s LYS 91 Ca -0.16 -1.07 -0.02 0.00 -0.36 0.00 0.00 55.97 54.36 1jac s LYS 91 Cb 0.05 0.49 0.01 0.00 -1.51 0.00 0.00 37.83 36.87 1jac s LYS 91 CO 0.50 -0.60 -0.08 0.99 -0.36 0.00 0.00 175.35 175.80 1jac s THR 92 N -3.95 2.96 -1.19 3.43 2.01 -1.26 -1.15 115.64 116.50 1jac s THR 92 Ca 0.15 -0.76 -0.16 0.00 0.31 0.00 0.00 61.69 61.23 1jac s THR 92 Cb -0.01 -2.39 0.13 0.00 0.01 0.00 0.00 72.50 70.24 1jac s THR 92 CO 0.03 0.36 1.48 -0.31 -0.69 0.00 0.00 174.62 175.49 1jac s TYR 93 N 1.39 3.17 0.00 4.92 1.51 0.66 -4.96 117.35 124.04 1jac s TYR 93 Ca 0.04 -1.80 0.00 0.00 -1.01 0.00 0.00 57.07 54.30 1jac s TYR 93 Cb -0.15 -4.47 0.00 0.00 -0.11 0.00 0.00 41.96 37.23 1jac s TYR 93 CO -0.05 -1.57 0.00 0.41 -1.11 0.00 0.00 175.55 173.23 1jac n GLY 94 N 4.86 0.00 3.74 0.71 0.00 -1.26 -2.74 105.19 110.50 1jac n GLY 94 Ca 0.38 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.99 1jac n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jac s PRO 95 N 0.00 4.13 -0.10 1.61 0.04 -1.26 -4.69 135.00 134.73 1jac s PRO 95 Ca 0.00 2.57 0.02 0.00 0.04 0.00 0.00 61.00 63.63 1jac s PRO 95 Cb 0.00 -3.04 -0.01 0.00 0.04 0.00 0.00 34.50 31.48 1jac s PRO 95 CO 0.00 -0.66 -0.16 0.71 0.04 0.00 0.00 177.00 176.93 1jac s TYR 96 N 0.35 2.71 0.00 0.56 2.02 -0.42 -4.96 117.35 117.60 1jac s TYR 96 Ca 0.66 -0.60 0.00 0.00 -0.37 0.00 0.00 57.07 56.76 1jac s TYR 96 Cb -0.48 -1.75 0.00 0.00 -0.40 0.00 0.00 41.96 39.33 1jac s TYR 96 CO 0.43 -0.15 0.00 0.41 -1.57 0.00 0.00 175.55 174.67 1jac n GLY 97 N 3.18 -0.61 3.48 0.71 0.00 -1.26 -2.05 105.19 108.64 1jac n GLY 97 Ca -0.18 -1.79 -0.40 0.00 0.00 0.00 0.00 46.02 43.64 1jac n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jac s VAL 98 N 0.00 5.05 -1.53 1.61 1.01 -0.35 -4.80 120.40 121.40 1jac s VAL 98 Ca 0.00 -0.41 -0.12 0.00 0.00 0.00 0.00 61.98 61.45 1jac s VAL 98 Cb 0.00 -3.66 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 1jac s VAL 98 CO 0.00 -0.07 2.56 0.35 0.00 0.00 0.00 175.10 177.94 1jac n THR 99 N 5.08 3.93 -3.73 3.92 -2.24 -1.26 -3.71 114.28 116.28 1jac n THR 99 Ca -0.12 -2.90 -0.12 0.00 -2.27 0.00 0.00 64.05 58.64 1jac n THR 99 Cb 0.49 -2.59 -0.12 0.00 -2.10 0.00 0.00 70.33 66.00 1jac n THR 99 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1jac s SER 100 N 2.57 -0.32 0.00 3.42 0.15 -1.26 -5.10 113.70 113.17 1jac s SER 100 Ca 0.57 0.60 0.00 0.00 0.70 0.00 0.00 55.95 57.83 1jac s SER 100 Cb 0.16 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.96 1jac s SER 100 CO -0.07 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.81 1jac n GLY 101 N 4.13 0.34 3.65 9.45 0.00 -1.26 -4.53 105.19 116.97 1jac n GLY 101 Ca -0.24 -1.88 -0.39 0.00 0.00 0.00 0.00 46.02 43.51 1jac n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jac s THR 102 N -1.15 5.09 0.57 2.61 2.01 0.36 -4.87 115.64 120.27 1jac s THR 102 Ca 0.00 0.94 -0.16 0.00 0.31 0.00 0.00 61.69 62.78 1jac s THR 102 Cb 0.00 -3.84 -0.05 0.00 0.01 0.00 0.00 72.50 68.62 1jac s THR 102 CO 0.00 0.15 1.03 -2.16 -0.69 0.00 0.00 174.62 172.95 1jac s PRO 103 N 1.85 3.55 -0.00 4.92 0.04 -1.26 -0.94 135.00 143.14 1jac s PRO 103 Ca 0.23 1.10 -0.08 0.00 0.04 0.00 0.00 61.00 62.30 1jac s PRO 103 Cb -0.15 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.32 1jac s PRO 103 CO 0.09 -0.62 0.15 -0.59 0.04 0.00 0.00 177.00 176.08 1jac s PHE 104 N -2.54 0.01 -0.26 0.56 -0.12 -0.86 -4.90 117.98 109.87 1jac s PHE 104 Ca 0.62 -0.06 -0.21 0.00 -0.05 0.00 0.00 56.93 57.23 1jac s PHE 104 Cb -0.14 -0.03 0.07 0.00 -0.63 0.00 0.00 43.02 42.30 1jac s PHE 104 CO 0.36 -0.28 0.68 0.54 -0.05 0.00 0.00 175.22 176.47 1jac s ASN 105 N -1.26 -0.80 -0.35 1.98 2.20 -1.26 -1.93 114.94 113.52 1jac s ASN 105 Ca -0.13 1.42 0.03 0.00 -0.94 0.00 0.00 52.86 53.24 1jac s ASN 105 Cb -0.07 1.38 0.10 0.00 -2.00 0.00 0.00 41.25 40.67 1jac s ASN 105 CO 0.02 -0.24 0.08 -0.22 -2.94 0.00 0.00 177.10 173.80 1jac s LEU 106 N 0.87 3.98 0.06 3.54 2.96 0.88 -5.00 118.68 125.98 1jac s LEU 106 Ca -0.04 -2.08 -0.23 0.00 -0.22 0.00 0.00 54.13 51.56 1jac s LEU 106 Cb -0.05 -1.40 -0.06 0.00 0.50 0.00 0.00 46.19 45.18 1jac s LEU 106 CO -0.07 -0.38 0.69 -2.84 -1.32 0.00 0.00 176.35 172.43 1jac s PRO 107 N 1.01 4.42 -0.23 0.98 0.02 -1.26 -2.10 135.00 137.83 1jac s PRO 107 Ca 0.11 0.94 -0.08 0.00 0.02 0.00 0.00 61.00 62.00 1jac s PRO 107 Cb -0.19 -3.32 -0.04 0.00 0.02 0.00 0.00 34.50 30.98 1jac s PRO 107 CO -0.12 0.42 0.08 0.42 -0.33 0.00 0.00 177.00 177.47 1jac s ILE 108 N -0.47 4.57 -0.11 2.83 1.01 0.67 -4.97 121.20 124.73 1jac s ILE 108 Ca 0.34 -0.09 0.02 0.00 0.00 0.00 0.00 60.65 60.92 1jac s ILE 108 Cb -0.20 -3.12 -0.24 0.00 0.01 0.00 0.00 42.46 38.91 1jac s ILE 108 CO 0.21 0.37 0.40 1.21 0.00 0.00 0.00 174.94 177.13 1jac n GLU 109 N 4.49 0.71 -3.56 2.79 2.13 -1.26 -4.87 120.64 121.07 1jac n GLU 109 Ca -0.16 0.25 -0.11 0.00 0.66 0.00 0.00 57.16 57.80 1jac n GLU 109 Cb 0.52 -1.71 -0.10 0.00 0.27 0.00 0.00 31.44 30.41 1jac n GLU 109 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 1jac s ASN 110 N -6.61 0.18 0.00 4.31 2.47 -1.26 -5.13 114.94 108.90 1jac s ASN 110 Ca -0.17 0.57 0.00 0.00 0.42 0.00 0.00 52.86 53.68 1jac s ASN 110 Cb 0.07 1.03 0.00 0.00 -1.45 0.00 0.00 41.25 40.91 1jac s ASN 110 CO 0.78 -0.26 0.00 0.61 -3.72 0.00 0.00 177.10 174.51 1jac n GLY 111 N 5.37 2.00 3.08 1.21 0.00 -1.26 -4.98 105.19 110.61 1jac n GLY 111 Ca -0.06 -1.85 -0.17 0.00 0.00 0.00 0.00 46.02 43.94 1jac n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jac s LEU 112 N 0.00 2.17 -0.21 0.99 2.01 0.28 -4.95 118.68 118.98 1jac s LEU 112 Ca 0.00 -0.43 -0.29 0.00 0.01 0.00 0.00 54.13 53.42 1jac s LEU 112 Cb 0.00 -0.40 0.00 0.00 0.01 0.00 0.00 46.19 45.81 1jac s LEU 112 CO 0.00 -0.04 1.06 -0.63 1.01 0.00 0.00 176.35 177.75 1jac s ILE 113 N -0.90 4.65 -0.06 -0.59 1.01 -1.26 -1.25 121.20 122.80 1jac s ILE 113 Ca -0.02 1.98 0.02 0.00 0.00 0.00 0.00 60.65 62.63 1jac s ILE 113 Cb -0.08 -4.28 0.04 0.00 0.01 0.00 0.00 42.46 38.16 1jac s ILE 113 CO 0.01 -0.15 1.03 0.55 0.00 0.00 0.00 174.94 176.37 1jac n VAL 114 N 5.23 1.08 0.00 2.92 3.14 0.54 -4.57 118.33 126.67 1jac n VAL 114 Ca 0.12 -1.11 0.00 0.00 -2.96 0.00 0.00 64.34 60.39 1jac n VAL 114 Cb 0.46 0.44 0.00 0.00 -1.06 0.00 0.00 33.84 33.68 1jac n VAL 114 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1jac n GLY 115 N -0.53 1.72 3.28 7.55 0.00 -1.23 -1.20 105.19 114.79 1jac n GLY 115 Ca 0.02 -0.83 -0.15 0.00 0.00 0.00 0.00 46.02 45.06 1jac n GLY 115 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jac s PHE 116 N -2.00 1.37 0.17 1.61 0.08 -1.24 -0.40 117.98 117.57 1jac s PHE 116 Ca 0.00 -0.90 -0.20 0.00 0.12 0.00 0.00 56.93 55.94 1jac s PHE 116 Cb 0.00 -0.77 0.05 0.00 -0.57 0.00 0.00 43.02 41.73 1jac s PHE 116 CO 0.00 -0.05 0.56 -1.59 -0.10 0.00 0.00 175.22 174.04 1jac s LYS 117 N -3.84 1.32 0.00 0.44 -2.85 -0.17 -2.30 119.74 112.34 1jac s LYS 117 Ca 0.24 -0.65 0.00 0.00 -1.00 0.00 0.00 55.97 54.56 1jac s LYS 117 Cb 0.05 0.56 0.00 0.00 -2.06 0.00 0.00 37.83 36.38 1jac s LYS 117 CO 0.05 -0.57 0.00 0.41 0.10 0.00 0.00 175.35 175.34 1jac n GLY 118 N -0.35 -0.57 3.36 0.59 0.00 -0.76 -0.34 105.19 107.12 1jac n GLY 118 Ca -0.14 -0.63 -0.14 0.00 0.00 0.00 0.00 46.02 45.11 1jac n GLY 118 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jac s SER 119 N -4.00 -0.44 -0.04 1.61 0.15 -0.77 -0.68 113.70 109.53 1jac s SER 119 Ca 0.00 0.69 -0.01 0.00 0.70 0.00 0.00 55.95 57.32 1jac s SER 119 Cb 0.00 0.73 0.03 0.00 -1.71 0.00 0.00 66.02 65.07 1jac s SER 119 CO 0.00 -0.32 0.04 -0.63 1.20 0.00 0.00 173.24 173.54 1jac s ILE 120 N -0.41 -0.01 0.00 6.45 1.01 -0.33 -1.05 121.20 126.86 1jac s ILE 120 Ca -0.06 0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.92 1jac s ILE 120 Cb -0.03 -0.20 0.00 0.00 0.01 0.00 0.00 42.46 42.24 1jac s ILE 120 CO 0.03 0.17 0.00 0.61 0.00 0.00 0.00 174.94 175.75 1jac n GLY 121 N 4.98 0.85 0.15 6.18 0.00 -1.26 -0.19 105.19 115.89 1jac n GLY 121 Ca -0.10 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 1jac n GLY 121 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1jac h TYR 122 N 0.00 0.71 -3.22 1.61 -1.99 -1.94 0.43 116.97 112.57 1jac h TYR 122 Ca 0.00 -0.45 -0.42 0.00 2.00 0.00 0.00 58.73 59.86 1jac h TYR 122 Cb 0.00 -0.06 -0.14 0.00 2.00 0.00 0.00 36.73 38.53 1jac h TYR 122 CO 0.00 1.30 -0.61 -1.58 -0.00 0.00 0.00 178.16 177.27 1jac s TRP 123 N -2.97 1.79 -0.17 4.88 0.51 -1.26 -4.41 118.94 117.30 1jac s TRP 123 Ca -0.06 -1.04 -0.29 0.00 -2.12 0.00 0.00 56.10 52.58 1jac s TRP 123 Cb 0.07 -1.13 -0.04 0.00 -0.81 0.00 0.00 33.47 31.57 1jac s TRP 123 CO 0.90 -0.13 1.73 -1.17 -0.51 0.00 0.00 176.95 177.77 1jac s LEU 124 N -3.42 3.95 0.04 2.99 2.96 -0.24 -4.44 118.68 120.52 1jac s LEU 124 Ca 0.37 1.84 -0.17 0.00 -0.22 0.00 0.00 54.13 55.95 1jac s LEU 124 Cb 0.08 -3.53 -0.26 0.00 0.50 0.00 0.00 46.19 42.99 1jac s LEU 124 CO 0.15 -1.28 1.11 0.44 -1.32 0.00 0.00 176.35 175.45 1jac h ASP 125 N 11.07 0.75 -4.96 3.68 3.32 -1.41 -0.81 116.42 128.06 1jac h ASP 125 Ca -0.37 -0.79 0.19 0.00 0.02 0.00 0.00 57.03 56.08 1jac h ASP 125 Cb 1.17 -0.23 -0.13 0.00 0.22 0.00 0.00 39.33 40.36 1jac h ASP 125 CO 0.98 1.45 0.60 -0.72 -1.72 0.00 0.00 179.24 179.84 1jac s TYR 126 N -3.11 -0.19 0.20 4.55 -0.85 -1.24 -4.20 117.35 112.50 1jac s TYR 126 Ca -0.11 0.03 -0.13 0.00 -0.52 0.00 0.00 57.07 56.34 1jac s TYR 126 Cb 0.05 0.57 0.00 0.00 0.38 0.00 0.00 41.96 42.96 1jac s TYR 126 CO 0.89 -0.53 0.42 -0.59 -1.52 0.00 0.00 175.55 174.22 1jac s PHE 127 N -2.94 0.22 0.07 -3.49 -0.71 -1.26 -1.84 117.98 108.03 1jac s PHE 127 Ca 0.09 -0.58 -0.07 0.00 -1.04 0.00 0.00 56.93 55.34 1jac s PHE 127 Cb -0.00 0.16 -0.01 0.00 -1.21 0.00 0.00 43.02 41.96 1jac s PHE 127 CO -0.04 -0.87 0.14 -1.12 -1.34 0.00 0.00 175.22 171.99 1jac s SER 128 N -2.95 0.17 -0.01 1.98 0.01 0.54 -4.92 113.70 108.52 1jac s SER 128 Ca 0.16 -0.64 0.05 0.00 1.31 0.00 0.00 55.95 56.84 1jac s SER 128 Cb 0.01 0.29 -0.01 0.00 0.21 0.00 0.00 66.02 66.51 1jac s SER 128 CO 0.02 -0.64 -0.16 -0.04 0.41 0.00 0.00 173.24 172.82 1jac s MET 129 N -3.43 1.31 -0.02 12.44 -1.94 -1.26 -1.00 119.30 125.40 1jac s MET 129 Ca 0.02 -0.61 -0.22 0.00 -1.71 0.00 0.00 55.69 53.17 1jac s MET 129 Cb 0.03 -1.27 -0.05 0.00 2.01 0.00 0.00 34.83 35.55 1jac s MET 129 CO -0.09 0.35 0.65 0.71 -0.01 0.00 0.00 175.02 176.63 1jac s TYR 130 N -0.42 3.65 -0.10 -0.03 1.51 0.46 -4.97 117.35 117.45 1jac s TYR 130 Ca 0.06 1.24 0.02 0.00 -1.01 0.00 0.00 57.07 57.38 1jac s TYR 130 Cb -0.06 -2.70 -0.02 0.00 -0.11 0.00 0.00 41.96 39.07 1jac s TYR 130 CO -0.00 0.25 -0.16 -0.51 -1.11 0.00 0.00 175.55 174.02 1jac s LEU 131 N 0.18 2.59 0.16 -1.29 1.02 -1.26 -0.34 118.68 119.74 1jac s LEU 131 Ca 0.34 -0.34 -0.02 0.00 0.02 0.00 0.00 54.13 54.13 1jac s LEU 131 Cb -0.18 -1.55 -0.04 0.00 0.02 0.00 0.00 46.19 44.44 1jac s LEU 131 CO 0.18 0.22 0.10 -0.55 0.02 0.00 0.00 176.35 176.32 1jac s SER 132 N 0.04 0.23 0.00 2.29 0.15 -0.38 -4.93 113.70 111.10 1jac s SER 132 Ca -0.06 -1.23 0.26 0.00 0.70 0.00 0.00 55.95 55.62 1jac s SER 132 Cb -0.15 0.34 0.55 0.00 -1.71 0.00 0.00 66.02 65.05 1jac s SER 132 CO 0.05 -0.78 1.46 -0.11 1.20 0.00 0.00 173.24 175.06