#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e4m s ARG 5 N 0.00 0.17 0.00 5.31 0.52 -1.24 -4.83 118.95 118.89 2e4m s ARG 5 Ca 0.00 -0.01 0.00 0.00 -0.52 0.00 0.00 55.73 55.20 2e4m s ARG 5 Cb 0.00 0.08 0.00 0.00 0.52 0.00 0.00 34.95 35.55 2e4m s ARG 5 CO 0.00 -0.06 0.00 2.41 0.02 0.00 0.00 175.30 177.67 2e4m n THR 6 N 0.30 0.00 -4.02 0.02 -1.04 -1.26 0.77 114.28 109.06 2e4m n THR 6 Ca -0.00 0.00 -0.26 0.00 -2.04 0.00 0.00 64.05 61.75 2e4m n THR 6 Cb 0.58 -0.32 -0.03 0.00 -1.82 0.00 0.00 70.33 68.73 2e4m n THR 6 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 2e4m n PHE 7 N -0.61 -1.58 -4.04 -1.42 3.72 -1.26 -4.68 117.46 107.59 2e4m n PHE 7 Ca 0.00 0.72 -0.32 0.00 -0.05 0.00 0.00 57.45 57.80 2e4m n PHE 7 Cb 0.00 -3.58 -0.15 0.00 -0.94 0.00 0.00 39.48 34.81 2e4m n PHE 7 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2e4m s LEU 8 N -7.04 3.95 0.65 4.37 1.43 -1.26 -5.13 118.68 115.66 2e4m s LEU 8 Ca 0.00 -1.66 -0.15 0.00 -1.03 0.00 0.00 54.13 51.29 2e4m s LEU 8 Cb -0.00 -1.59 -0.01 0.00 0.03 0.00 0.00 46.19 44.62 2e4m s LEU 8 CO 0.91 -0.26 1.09 -2.16 0.23 0.00 0.00 176.35 176.16 2e4m s PRO 9 N 1.04 2.91 0.43 1.29 0.04 -1.26 -4.89 135.00 134.56 2e4m s PRO 9 Ca -0.02 1.32 -0.26 0.00 0.04 0.00 0.00 61.00 62.09 2e4m s PRO 9 Cb -0.20 -1.97 -0.09 0.00 0.04 0.00 0.00 34.50 32.28 2e4m s PRO 9 CO -0.06 -1.15 1.39 0.09 0.04 0.00 0.00 177.00 177.31 2e4m n ASN 10 N -2.39 3.15 0.00 6.66 5.03 -1.26 -4.91 115.26 121.54 2e4m n ASN 10 Ca 0.10 1.13 0.00 0.00 0.87 0.00 0.00 54.58 56.68 2e4m n ASN 10 Cb 0.52 -1.57 0.00 0.00 -1.02 0.00 0.00 39.78 37.71 2e4m n ASN 10 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2e4m n GLY 11 N 0.63 -0.59 3.53 7.41 0.00 -0.84 -5.01 105.19 110.33 2e4m n GLY 11 Ca 0.05 -1.38 -0.34 0.00 0.00 0.00 0.00 46.02 44.35 2e4m n GLY 11 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2e4m s ASN 12 N -4.00 4.81 0.10 1.61 -0.87 -1.26 -0.21 114.94 115.12 2e4m s ASN 12 Ca 0.00 -0.08 0.03 0.00 -1.57 0.00 0.00 52.86 51.24 2e4m s ASN 12 Cb 0.00 -1.65 -0.04 0.00 -0.02 0.00 0.00 41.25 39.54 2e4m s ASN 12 CO 0.00 0.22 -0.09 -0.31 -2.57 0.00 0.00 177.10 174.36 2e4m s TYR 13 N 0.04 1.02 0.17 2.20 1.51 0.18 -1.28 117.35 121.18 2e4m s TYR 13 Ca 0.00 -0.77 0.05 0.00 -1.01 0.00 0.00 57.07 55.34 2e4m s TYR 13 Cb -0.13 -0.56 -0.04 0.00 -0.11 0.00 0.00 41.96 41.12 2e4m s TYR 13 CO 0.03 -0.04 0.19 0.15 -1.11 0.00 0.00 175.55 174.76 2e4m s LYS 14 N -3.32 3.05 -0.14 -0.62 1.02 -0.37 -0.02 119.74 119.34 2e4m s LYS 14 Ca 0.09 -0.82 0.00 0.00 0.02 0.00 0.00 55.97 55.27 2e4m s LYS 14 Cb 0.01 -2.72 0.02 0.00 -0.52 0.00 0.00 37.83 34.62 2e4m s LYS 14 CO -0.02 0.48 -0.13 0.42 -0.92 0.00 0.00 175.35 175.19 2e4m s ILE 15 N -1.80 1.46 0.36 2.17 1.01 -1.26 -1.06 121.20 122.08 2e4m s ILE 15 Ca 0.32 -0.57 0.06 0.00 0.00 0.00 0.00 60.65 60.46 2e4m s ILE 15 Cb -0.10 -1.38 -0.07 0.00 0.01 0.00 0.00 42.46 40.92 2e4m s ILE 15 CO 0.25 0.44 0.01 -1.59 0.00 0.00 0.00 174.94 174.05 2e4m s LYS 16 N 1.48 1.79 0.56 2.79 -2.85 -0.55 0.29 119.74 123.24 2e4m s LYS 16 Ca 0.04 -1.98 0.07 0.00 -1.00 0.00 0.00 55.97 53.10 2e4m s LYS 16 Cb -0.13 -1.32 0.07 0.00 -2.06 0.00 0.00 37.83 34.39 2e4m s LYS 16 CO -0.09 -0.07 0.77 -1.54 0.10 0.00 0.00 175.35 174.52 2e4m s SER 17 N -3.59 5.13 0.00 0.03 1.04 -1.26 -0.77 113.70 114.28 2e4m s SER 17 Ca 0.35 -0.61 0.21 0.00 0.48 0.00 0.00 55.95 56.38 2e4m s SER 17 Cb 0.08 -0.07 1.01 0.00 0.10 0.00 0.00 66.02 67.14 2e4m s SER 17 CO 0.16 -1.27 1.68 0.18 0.98 0.00 0.00 173.24 174.98 2e4m n LEU 18 N -2.25 0.00 0.05 2.42 4.32 -1.26 -3.94 117.00 116.35 2e4m n LEU 18 Ca 0.13 0.37 0.06 0.00 -0.02 0.00 0.00 56.01 56.55 2e4m n LEU 18 Cb 0.61 -0.37 -0.07 0.00 -1.62 0.00 0.00 43.42 41.97 2e4m n LEU 18 CO 0.40 -0.11 -0.29 0.49 -1.22 0.00 0.00 177.39 176.67 2e4m n PHE 19 N -1.37 0.76 -3.76 -1.77 3.01 -1.26 -4.91 117.46 108.17 2e4m n PHE 19 Ca 0.08 0.24 -0.13 0.00 1.01 0.00 0.00 57.45 58.65 2e4m n PHE 19 Cb 0.20 -0.93 -0.12 0.00 -0.01 0.00 0.00 39.48 38.62 2e4m n PHE 19 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2e4m s SER 20 N -5.38 -0.30 0.49 4.37 0.15 -1.25 -4.96 113.70 106.82 2e4m s SER 20 Ca -0.03 0.57 0.28 0.00 0.70 0.00 0.00 55.95 57.47 2e4m s SER 20 Cb 0.10 0.54 0.91 0.00 -1.71 0.00 0.00 66.02 65.86 2e4m s SER 20 CO 0.82 -0.12 1.82 0.44 1.20 0.00 0.00 173.24 177.40 2e4m h ASP 21 N 6.17 0.00 -0.01 5.45 3.45 -1.91 -3.35 116.42 126.22 2e4m h ASP 21 Ca -0.30 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.16 2e4m h ASP 21 Cb 1.18 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.95 2e4m h ASP 21 CO 0.34 0.06 -0.52 -1.20 -1.57 0.00 0.00 179.24 176.35 2e4m n SER 22 N -3.15 1.67 -4.39 6.45 7.64 -1.26 -4.91 113.62 115.67 2e4m n SER 22 Ca 0.02 -1.34 -0.35 0.00 1.01 0.00 0.00 58.87 58.21 2e4m n SER 22 Cb 0.42 0.59 -0.13 0.00 -1.01 0.00 0.00 64.21 64.07 2e4m n SER 22 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2e4m s LEU 23 N -2.43 3.04 0.09 -3.43 1.43 -1.26 -1.06 118.68 115.06 2e4m s LEU 23 Ca 0.14 -0.29 0.10 0.00 -1.03 0.00 0.00 54.13 53.06 2e4m s LEU 23 Cb 0.16 -1.76 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 2e4m s LEU 23 CO 0.56 0.05 -0.26 -0.31 0.23 0.00 0.00 176.35 176.63 2e4m s TYR 24 N 1.05 2.34 -0.07 0.29 2.02 0.02 -4.26 117.35 118.74 2e4m s TYR 24 Ca 0.01 -0.38 -0.29 0.00 -0.37 0.00 0.00 57.07 56.03 2e4m s TYR 24 Cb -0.15 -1.31 -0.07 0.00 -0.40 0.00 0.00 41.96 40.03 2e4m s TYR 24 CO 0.00 0.26 1.88 -1.17 -1.57 0.00 0.00 175.55 174.96 2e4m s LEU 25 N -1.74 4.16 0.02 -1.29 2.96 0.14 -1.35 118.68 121.58 2e4m s LEU 25 Ca 0.13 2.28 0.03 0.00 -0.22 0.00 0.00 54.13 56.36 2e4m s LEU 25 Cb -0.10 -3.53 -0.01 0.00 0.50 0.00 0.00 46.19 43.05 2e4m s LEU 25 CO 0.05 -1.21 -0.10 0.28 -1.32 0.00 0.00 176.35 174.05 2e4m s THR 26 N 5.12 0.82 -0.39 3.68 -1.32 0.86 -4.54 115.64 119.87 2e4m s THR 26 Ca 0.84 -0.69 -0.16 0.00 -1.21 0.00 0.00 61.69 60.48 2e4m s THR 26 Cb -0.36 -0.73 0.01 0.00 -1.51 0.00 0.00 72.50 69.90 2e4m s THR 26 CO 0.36 0.05 0.37 -0.47 -2.21 0.00 0.00 174.62 172.72 2e4m s TYR 27 N -0.59 3.20 0.00 9.09 6.14 -0.97 -2.20 117.35 132.02 2e4m s TYR 27 Ca 0.01 -0.29 0.00 0.00 0.64 0.00 0.00 57.07 57.43 2e4m s TYR 27 Cb -0.06 -2.74 0.00 0.00 0.42 0.00 0.00 41.96 39.59 2e4m s TYR 27 CO 0.00 -0.57 0.00 0.45 0.64 0.00 0.00 175.55 176.07 2e4m n SER 28 N 5.41 0.00 -2.81 4.32 2.88 -0.70 -4.81 113.62 117.91 2e4m n SER 28 Ca -0.09 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.16 2e4m n SER 28 Cb 0.48 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.87 2e4m n SER 28 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2e4m n SER 29 N 0.00 7.18 0.00 -3.46 7.64 -1.26 -4.45 113.62 119.27 2e4m n SER 29 Ca 0.00 -2.76 0.00 0.00 1.01 0.00 0.00 58.87 57.12 2e4m n SER 29 Cb 0.00 -1.42 0.00 0.00 -1.01 0.00 0.00 64.21 61.78 2e4m n SER 29 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2e4m n GLY 30 N 2.43 0.24 3.37 0.23 0.00 -1.26 -5.00 105.19 105.20 2e4m n GLY 30 Ca 0.60 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.33 2e4m n GLY 30 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2e4m s SER 31 N -2.10 3.21 -0.24 1.61 1.04 -1.26 -4.95 113.70 111.01 2e4m s SER 31 Ca 0.00 -0.70 -0.08 0.00 0.48 0.00 0.00 55.95 55.64 2e4m s SER 31 Cb 0.00 -0.23 -0.04 0.00 0.10 0.00 0.00 66.02 65.85 2e4m s SER 31 CO 0.00 0.19 0.10 -0.22 0.98 0.00 0.00 173.24 174.29 2e4m s LEU 32 N -1.83 3.72 0.31 2.42 2.96 -1.26 -1.71 118.68 123.30 2e4m s LEU 32 Ca 0.13 -0.06 -0.18 0.00 -0.22 0.00 0.00 54.13 53.80 2e4m s LEU 32 Cb -0.10 -1.99 0.06 0.00 0.50 0.00 0.00 46.19 44.66 2e4m s LEU 32 CO 0.05 0.02 0.89 -0.94 -1.32 0.00 0.00 176.35 175.05 2e4m s SER 33 N 1.28 0.01 -0.26 3.68 1.04 -0.93 -4.56 113.70 113.96 2e4m s SER 33 Ca 0.06 -0.99 -0.15 0.00 0.48 0.00 0.00 55.95 55.34 2e4m s SER 33 Cb -0.15 0.73 -0.04 0.00 0.10 0.00 0.00 66.02 66.66 2e4m s SER 33 CO 0.05 -1.44 0.38 -0.36 0.98 0.00 0.00 173.24 172.84 2e4m s PHE 34 N -2.19 3.26 0.27 5.02 0.08 -1.26 -0.10 117.98 123.06 2e4m s PHE 34 Ca 0.18 0.44 0.04 0.00 0.12 0.00 0.00 56.93 57.71 2e4m s PHE 34 Cb -0.04 -2.58 -0.06 0.00 -0.57 0.00 0.00 43.02 39.78 2e4m s PHE 34 CO 0.09 -0.22 0.01 -0.51 -0.10 0.00 0.00 175.22 174.49 2e4m s LEU 35 N 2.03 2.25 0.61 -0.37 1.43 -0.46 -4.66 118.68 119.52 2e4m s LEU 35 Ca 0.16 -1.27 -0.19 0.00 -1.03 0.00 0.00 54.13 51.80 2e4m s LEU 35 Cb -0.16 -0.39 -0.03 0.00 0.03 0.00 0.00 46.19 45.64 2e4m s LEU 35 CO 0.10 -0.51 1.24 -3.20 0.23 0.00 0.00 176.35 174.21 2e4m n ASN 36 N -0.55 1.96 -4.73 2.29 2.85 -1.26 -0.80 115.26 115.02 2e4m n ASN 36 Ca -0.04 0.86 -0.42 0.00 -0.11 0.00 0.00 54.58 54.87 2e4m n ASN 36 Cb 0.65 -1.53 -0.03 0.00 1.24 0.00 0.00 39.78 40.11 2e4m n ASN 36 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 2e4m s THR 37 N -1.38 2.38 0.30 -0.44 -1.32 -0.23 -4.74 115.64 110.21 2e4m s THR 37 Ca 0.79 0.29 0.02 0.00 -1.21 0.00 0.00 61.69 61.59 2e4m s THR 37 Cb -0.40 -3.19 -0.05 0.00 -1.51 0.00 0.00 72.50 67.36 2e4m s THR 37 CO 0.44 0.03 0.12 -0.94 -2.21 0.00 0.00 174.62 172.06 2e4m s SER 38 N 0.86 1.61 0.00 8.08 1.04 -1.26 -5.04 113.70 118.99 2e4m s SER 38 Ca 0.68 -1.47 0.24 0.00 0.48 0.00 0.00 55.95 55.88 2e4m s SER 38 Cb -0.45 0.25 0.30 0.00 0.10 0.00 0.00 66.02 66.21 2e4m s SER 38 CO 0.37 -0.79 1.30 -1.54 0.98 0.00 0.00 173.24 173.56 2e4m n SER 39 N -0.74 2.20 -4.76 7.02 3.41 -1.26 -4.98 113.62 114.51 2e4m n SER 39 Ca -0.00 -1.62 -0.33 0.00 -0.26 0.00 0.00 58.87 56.66 2e4m n SER 39 Cb 0.66 0.19 0.06 0.00 -0.26 0.00 0.00 64.21 64.86 2e4m n SER 39 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2e4m s LEU 40 N -2.24 3.33 0.44 1.04 1.02 -1.26 -4.94 118.68 116.06 2e4m s LEU 40 Ca 0.25 2.06 0.30 0.00 0.02 0.00 0.00 54.13 56.76 2e4m s LEU 40 Cb 0.19 -4.56 1.22 0.00 0.02 0.00 0.00 46.19 43.07 2e4m s LEU 40 CO 0.43 -1.83 1.88 0.44 0.02 0.00 0.00 176.35 177.29 2e4m h ASP 41 N -0.20 0.00 1.58 2.29 5.19 -1.95 -3.07 116.42 120.26 2e4m h ASP 41 Ca -0.46 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.95 2e4m h ASP 41 Cb 1.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.76 2e4m h ASP 41 CO 0.53 0.00 0.00 -0.55 -3.12 0.00 0.00 179.24 176.10 2e4m h ASN 42 N 0.00 0.00 -0.95 6.45 7.08 -1.92 -2.98 115.58 123.26 2e4m h ASN 42 Ca 0.00 0.00 -0.53 0.00 -3.08 0.00 0.00 56.30 52.69 2e4m h ASN 42 Cb 0.45 0.00 -0.29 0.00 -2.08 0.00 0.00 38.32 36.40 2e4m h ASN 42 CO 0.00 0.00 0.63 0.00 -2.08 0.00 0.00 177.43 175.98 2e4m n GLN 43 N -2.85 2.33 -5.03 4.14 10.64 -1.16 -2.28 117.38 123.17 2e4m n GLN 43 Ca 0.03 -3.09 -0.28 0.00 -1.83 0.00 0.00 57.00 51.83 2e4m n GLN 43 Cb 0.44 -2.18 -0.16 0.00 -0.86 0.00 0.00 30.24 27.48 2e4m n GLN 43 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 2e4m s LYS 44 N -3.41 1.84 -0.04 2.61 1.02 -1.15 -4.62 119.74 116.00 2e4m s LYS 44 Ca 0.58 -0.75 0.04 0.00 0.02 0.00 0.00 55.97 55.86 2e4m s LYS 44 Cb 0.48 -1.71 -0.00 0.00 -0.52 0.00 0.00 37.83 36.08 2e4m s LYS 44 CO 0.08 0.41 -0.17 -1.58 -0.92 0.00 0.00 175.35 173.16 2e4m s TRP 45 N -0.35 1.68 -0.37 3.18 0.52 0.97 -1.99 118.94 122.57 2e4m s TRP 45 Ca 0.04 -0.46 -0.16 0.00 0.02 0.00 0.00 56.10 55.55 2e4m s TRP 45 Cb -0.10 -1.12 0.00 0.00 -1.15 0.00 0.00 33.47 31.10 2e4m s TRP 45 CO 0.00 -0.15 0.36 0.21 0.02 0.00 0.00 176.95 177.40 2e4m s LYS 46 N -0.02 3.35 -0.16 4.98 2.20 0.54 0.47 119.74 131.10 2e4m s LYS 46 Ca -0.02 -0.61 -0.18 0.00 -0.36 0.00 0.00 55.97 54.80 2e4m s LYS 46 Cb -0.11 -3.87 -0.04 0.00 -1.51 0.00 0.00 37.83 32.30 2e4m s LYS 46 CO 0.02 -0.64 0.49 -0.51 -0.36 0.00 0.00 175.35 174.35 2e4m s LEU 47 N 1.98 4.20 -0.08 5.43 2.01 0.70 -1.71 118.68 131.22 2e4m s LEU 47 Ca 0.10 0.72 -0.02 0.00 0.01 0.00 0.00 54.13 54.94 2e4m s LEU 47 Cb -0.17 -2.68 0.03 0.00 0.01 0.00 0.00 46.19 43.38 2e4m s LEU 47 CO 0.12 -0.09 0.02 -0.70 1.01 0.00 0.00 176.35 176.71 2e4m s GLU 48 N 1.15 0.45 0.19 1.70 2.12 -0.63 -1.99 118.70 121.69 2e4m s GLU 48 Ca 0.24 0.12 -0.30 0.00 0.36 0.00 0.00 54.97 55.39 2e4m s GLU 48 Cb -0.15 -0.98 -0.08 0.00 0.26 0.00 0.00 34.13 33.17 2e4m s GLU 48 CO 0.10 -0.34 1.24 -0.47 -0.54 0.00 0.00 175.26 175.24 2e4m s TYR 49 N 2.01 3.36 -0.16 5.30 5.04 -1.26 -0.61 117.35 131.02 2e4m s TYR 49 Ca 0.05 1.34 0.01 0.00 -2.44 0.00 0.00 57.07 56.03 2e4m s TYR 49 Cb -0.13 -3.50 0.02 0.00 0.35 0.00 0.00 41.96 38.70 2e4m s TYR 49 CO -0.05 -1.48 -0.19 0.96 -1.34 0.00 0.00 175.55 173.45 2e4m s ILE 50 N 0.06 1.97 0.04 3.14 -5.25 0.04 -4.95 121.20 116.25 2e4m s ILE 50 Ca 0.55 -0.89 0.02 0.00 -0.99 0.00 0.00 60.65 59.33 2e4m s ILE 50 Cb -0.34 -1.78 -0.25 0.00 2.95 0.00 0.00 42.46 43.04 2e4m s ILE 50 CO 0.37 0.53 1.01 0.28 -1.79 0.00 0.00 174.94 175.33 2e4m h SER 51 N 7.80 0.21 -0.88 4.36 0.02 -1.85 -1.84 113.55 121.37 2e4m h SER 51 Ca -0.41 -0.28 0.25 0.00 -0.84 0.00 0.00 61.79 60.52 2e4m h SER 51 Cb 1.15 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 63.59 2e4m h SER 51 CO 0.60 1.23 0.84 0.28 -1.14 0.00 0.00 176.83 178.64 2e4m h SER 52 N 0.04 0.00 0.00 3.07 0.02 -1.96 -2.84 113.55 111.88 2e4m h SER 52 Ca -0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 2e4m h SER 52 Cb 1.93 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.47 2e4m h SER 52 CO 0.15 0.00 -0.14 -0.24 -1.14 0.00 0.00 176.83 175.46 2e4m n SER 53 N -3.68 0.00 -1.29 3.07 2.88 -1.26 -5.16 113.62 108.18 2e4m n SER 53 Ca 0.19 -1.27 0.17 0.00 -1.33 0.00 0.00 58.87 56.63 2e4m n SER 53 Cb 1.13 -0.05 -0.05 0.00 -0.75 0.00 0.00 64.21 64.49 2e4m n SER 53 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2e4m n ASN 54 N 0.00 -7.67 -1.08 -3.46 4.13 -0.69 -5.03 115.26 101.46 2e4m n ASN 54 Ca 0.00 0.70 0.12 0.00 1.68 0.00 0.00 54.58 57.07 2e4m n ASN 54 Cb 0.55 -4.01 -0.03 0.00 -1.54 0.00 0.00 39.78 34.76 2e4m n ASN 54 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2e4m n GLY 55 N -3.99 -1.74 3.51 7.41 0.00 -1.24 -4.53 105.19 104.61 2e4m n GLY 55 Ca -0.01 -1.18 -0.27 0.00 0.00 0.00 0.00 46.02 44.55 2e4m n GLY 55 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2e4m s PHE 56 N -1.44 2.53 -0.03 1.61 0.08 0.13 -0.78 117.98 120.09 2e4m s PHE 56 Ca 0.00 -0.26 0.06 0.00 0.12 0.00 0.00 56.93 56.84 2e4m s PHE 56 Cb 0.00 -1.27 -0.02 0.00 -0.57 0.00 0.00 43.02 41.16 2e4m s PHE 56 CO 0.00 0.48 -0.19 1.03 -0.10 0.00 0.00 175.22 176.44 2e4m s ARG 57 N -2.61 2.30 -0.14 0.44 0.52 0.22 -1.17 118.95 118.50 2e4m s ARG 57 Ca 0.22 -0.82 -0.03 0.00 -0.52 0.00 0.00 55.73 54.58 2e4m s ARG 57 Cb -0.09 -2.23 -0.03 0.00 0.52 0.00 0.00 34.95 33.13 2e4m s ARG 57 CO 0.13 0.59 -0.06 -0.06 0.02 0.00 0.00 175.30 175.92 2e4m s PHE 58 N -0.72 2.98 0.06 -0.53 0.08 -1.26 -1.60 117.98 116.99 2e4m s PHE 58 Ca 0.11 -0.31 0.05 0.00 0.12 0.00 0.00 56.93 56.90 2e4m s PHE 58 Cb -0.10 -1.91 -0.03 0.00 -0.57 0.00 0.00 43.02 40.41 2e4m s PHE 58 CO 0.01 -0.01 -0.14 -1.54 -0.10 0.00 0.00 175.22 173.44 2e4m s SER 59 N 0.20 1.60 0.18 1.36 1.04 -0.69 -1.09 113.70 116.30 2e4m s SER 59 Ca -0.03 -0.56 -0.30 0.00 0.48 0.00 0.00 55.95 55.54 2e4m s SER 59 Cb -0.14 -0.06 -0.08 0.00 0.10 0.00 0.00 66.02 65.85 2e4m s SER 59 CO 0.03 -0.05 0.95 0.21 0.98 0.00 0.00 173.24 175.36 2e4m s ASN 60 N -1.55 7.58 0.23 7.02 3.84 -1.26 -0.34 114.94 130.47 2e4m s ASN 60 Ca -0.02 1.87 0.07 0.00 0.21 0.00 0.00 52.86 55.00 2e4m s ASN 60 Cb -0.09 -2.60 0.23 0.00 -0.55 0.00 0.00 41.25 38.24 2e4m s ASN 60 CO 0.02 0.06 1.54 -0.37 -2.79 0.00 0.00 177.10 175.55 2e4m h VAL 61 N 3.56 1.45 0.00 -5.21 -1.51 -1.53 -1.93 116.25 111.08 2e4m h VAL 61 Ca -0.44 -2.24 0.00 0.00 -1.23 0.00 0.00 66.70 62.79 2e4m h VAL 61 Cb 1.20 2.19 0.00 0.00 -2.13 0.00 0.00 31.29 32.56 2e4m h VAL 61 CO 0.70 0.65 0.00 0.00 -1.23 0.00 0.00 177.57 177.68 2e4m n ALA 62 N -2.44 2.01 -3.02 5.19 0.00 -1.14 -4.18 120.51 116.93 2e4m n ALA 62 Ca -0.02 -0.09 -0.15 0.00 0.00 0.00 0.00 53.44 53.18 2e4m n ALA 62 Cb 0.67 -1.30 -0.03 0.00 0.00 0.00 0.00 19.45 18.78 2e4m n ALA 62 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2e4m n GLU 63 N -1.27 0.54 -1.20 0.00 4.07 -0.73 -5.01 120.64 117.04 2e4m n GLU 63 Ca 0.09 -2.53 -0.29 0.00 -0.06 0.00 0.00 57.16 54.38 2e4m n GLU 63 Cb 0.14 -1.46 0.18 0.00 -0.06 0.00 0.00 31.44 30.24 2e4m n GLU 63 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 2e4m s PRO 64 N 0.15 0.42 0.00 5.31 0.04 -1.17 -3.84 135.00 135.90 2e4m s PRO 64 Ca 0.32 0.46 0.00 0.00 0.04 0.00 0.00 61.00 61.83 2e4m s PRO 64 Cb 0.10 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.90 2e4m s PRO 64 CO -0.15 -2.73 0.00 0.09 0.04 0.00 0.00 177.00 174.25 2e4m n ASN 65 N -4.16 0.00 -4.06 6.66 3.02 -1.26 -5.02 115.26 110.44 2e4m n ASN 65 Ca 0.05 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.41 2e4m n ASN 65 Cb 0.58 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.60 2e4m n ASN 65 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 2e4m s LYS 66 N -0.47 0.83 0.18 3.52 -2.85 -1.25 -4.52 119.74 115.17 2e4m s LYS 66 Ca 0.00 -0.44 0.09 0.00 -1.00 0.00 0.00 55.97 54.61 2e4m s LYS 66 Cb 0.00 -0.80 -0.04 0.00 -2.06 0.00 0.00 37.83 34.93 2e4m s LYS 66 CO 0.00 0.21 -0.08 0.71 0.10 0.00 0.00 175.35 176.30 2e4m s TYR 67 N -0.38 2.68 -0.03 1.78 2.02 0.13 -4.11 117.35 119.45 2e4m s TYR 67 Ca 0.03 -0.20 -0.30 0.00 -0.37 0.00 0.00 57.07 56.23 2e4m s TYR 67 Cb -0.05 -1.31 -0.05 0.00 -0.40 0.00 0.00 41.96 40.15 2e4m s TYR 67 CO -0.00 0.51 1.49 -0.51 -1.57 0.00 0.00 175.55 175.47 2e4m s LEU 68 N -2.84 4.31 0.19 -1.29 1.43 -0.25 -0.26 118.68 119.96 2e4m s LEU 68 Ca 0.25 2.14 -0.02 0.00 -1.03 0.00 0.00 54.13 55.47 2e4m s LEU 68 Cb -0.09 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.55 2e4m s LEU 68 CO 0.16 -0.80 0.15 0.00 0.23 0.00 0.00 176.35 176.08 2e4m s ALA 69 N 3.04 0.93 0.04 4.21 0.00 -0.09 -4.44 121.76 125.46 2e4m s ALA 69 Ca 0.67 -1.55 0.04 0.00 0.00 0.00 0.00 51.96 51.12 2e4m s ALA 69 Cb -0.32 1.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.99 2e4m s ALA 69 CO 0.27 -0.59 -0.06 1.52 0.00 0.00 0.00 175.76 176.89 2e4m s TYR 70 N -4.12 2.87 0.58 0.00 -0.85 -1.05 -0.64 117.35 114.14 2e4m s TYR 70 Ca 0.33 -0.06 0.07 0.00 -0.52 0.00 0.00 57.07 56.90 2e4m s TYR 70 Cb 0.06 -1.56 0.07 0.00 0.38 0.00 0.00 41.96 40.92 2e4m s TYR 70 CO 0.09 0.40 0.62 0.54 -1.52 0.00 0.00 175.55 175.68 2e4m s ASN 71 N -1.75 4.81 0.67 -0.18 6.03 -0.35 -4.84 114.94 119.32 2e4m s ASN 71 Ca 0.20 -1.11 0.35 0.00 -1.03 0.00 0.00 52.86 51.27 2e4m s ASN 71 Cb -0.11 0.50 1.91 0.00 -3.03 0.00 0.00 41.25 40.51 2e4m s ASN 71 CO 0.11 -1.30 2.08 0.44 -2.03 0.00 0.00 177.10 176.40 2e4m h ASP 72 N 0.41 0.00 0.15 3.54 3.32 -2.01 -0.30 116.42 121.53 2e4m h ASP 72 Ca -0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.73 2e4m h ASP 72 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 2e4m h ASP 72 CO 0.48 0.00 -0.24 -1.22 -1.72 0.00 0.00 179.24 176.55 2e4m n TYR 73 N -2.97 0.00 -1.03 4.55 0.53 -1.26 -4.93 117.16 112.05 2e4m n TYR 73 Ca -0.02 0.00 -0.01 0.00 -1.02 0.00 0.00 57.90 56.85 2e4m n TYR 73 Cb 0.28 -0.08 -0.00 0.00 -1.03 0.00 0.00 39.34 38.50 2e4m n TYR 73 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 2e4m n GLY 74 N 1.33 0.48 3.82 2.72 0.00 -0.12 -4.98 105.19 108.42 2e4m n GLY 74 Ca 0.13 -0.68 -0.38 0.00 0.00 0.00 0.00 46.02 45.09 2e4m n GLY 74 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2e4m s PHE 75 N -2.01 3.77 0.13 1.61 0.40 -1.26 -0.75 117.98 119.87 2e4m s PHE 75 Ca 0.00 1.25 -0.30 0.00 -0.60 0.00 0.00 56.93 57.28 2e4m s PHE 75 Cb 0.00 -2.49 -0.06 0.00 0.51 0.00 0.00 43.02 40.98 2e4m s PHE 75 CO 0.00 0.55 0.98 0.42 0.70 0.00 0.00 175.22 177.87 2e4m s ILE 76 N -1.20 4.36 0.23 0.64 1.09 -0.08 -1.21 121.20 125.03 2e4m s ILE 76 Ca 0.31 2.01 -0.16 0.00 -1.10 0.00 0.00 60.65 61.71 2e4m s ILE 76 Cb -0.19 -4.28 0.01 0.00 -1.06 0.00 0.00 42.46 36.94 2e4m s ILE 76 CO 0.19 0.33 0.53 -0.72 -0.10 0.00 0.00 174.94 175.17 2e4m s TYR 77 N -0.15 0.08 -0.17 3.97 1.13 0.19 -4.72 117.35 117.67 2e4m s TYR 77 Ca 0.47 -0.45 -0.23 0.00 -1.41 0.00 0.00 57.07 55.45 2e4m s TYR 77 Cb -0.24 0.35 -0.02 0.00 -1.10 0.00 0.00 41.96 40.94 2e4m s TYR 77 CO 0.31 -0.99 0.71 -0.51 -2.51 0.00 0.00 175.55 172.55 2e4m s LEU 78 N -2.94 4.18 0.03 -3.49 1.43 -1.26 -0.91 118.68 115.71 2e4m s LEU 78 Ca 0.15 0.99 0.03 0.00 -1.03 0.00 0.00 54.13 54.27 2e4m s LEU 78 Cb -0.01 -3.03 -0.02 0.00 0.03 0.00 0.00 46.19 43.16 2e4m s LEU 78 CO 0.03 -0.29 -0.10 -0.55 0.23 0.00 0.00 176.35 175.67 2e4m s SER 79 N 1.13 1.16 -0.42 2.29 0.15 0.64 -4.90 113.70 113.75 2e4m s SER 79 Ca 0.33 -0.39 -0.19 0.00 0.70 0.00 0.00 55.95 56.41 2e4m s SER 79 Cb -0.16 -0.06 0.02 0.00 -1.71 0.00 0.00 66.02 64.11 2e4m s SER 79 CO 0.12 -0.03 0.53 -0.94 1.20 0.00 0.00 173.24 174.12 2e4m s SER 80 N -0.99 6.26 0.00 5.45 1.04 -1.26 0.22 113.70 124.42 2e4m s SER 80 Ca -0.02 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 55.97 2e4m s SER 80 Cb -0.07 -2.27 0.00 0.00 0.10 0.00 0.00 66.02 63.78 2e4m s SER 80 CO 0.01 -0.64 0.00 -1.54 0.98 0.00 0.00 173.24 172.05 2e4m n SER 81 N 5.87 0.00 0.00 7.02 3.41 -1.26 -5.06 113.62 123.60 2e4m n SER 81 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 2e4m n SER 81 Cb 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 2e4m n SER 81 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2e4m n SER 82 N 0.00 0.00 0.00 4.04 2.88 -1.26 -5.05 113.62 114.23 2e4m n SER 82 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2e4m n SER 82 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2e4m n SER 82 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 2e4m n ASN 83 N 0.00 2.12 -3.91 -3.46 6.94 -1.26 -5.09 115.26 110.60 2e4m n ASN 83 Ca 0.00 0.00 -0.30 0.00 -0.02 0.00 0.00 54.58 54.26 2e4m n ASN 83 Cb 0.00 0.00 0.03 0.00 -2.36 0.00 0.00 39.78 37.45 2e4m n ASN 83 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2e4m n ASN 84 N -2.52 -4.81 -0.08 0.53 5.03 -1.26 -4.70 115.26 107.46 2e4m n ASN 84 Ca 0.00 -0.77 0.02 0.00 0.87 0.00 0.00 54.58 54.70 2e4m n ASN 84 Cb 0.41 -3.92 -0.01 0.00 -1.02 0.00 0.00 39.78 35.24 2e4m n ASN 84 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 2e4m n SER 85 N -2.84 0.71 -4.75 6.41 7.64 -1.26 -2.55 113.62 116.98 2e4m n SER 85 Ca 0.04 -0.85 -0.38 0.00 1.01 0.00 0.00 58.87 58.68 2e4m n SER 85 Cb 0.53 0.58 -0.06 0.00 -1.01 0.00 0.00 64.21 64.25 2e4m n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2e4m s LEU 86 N -1.43 4.36 0.02 -3.43 1.43 -1.26 -4.52 118.68 113.84 2e4m s LEU 86 Ca 0.03 1.00 0.03 0.00 -1.03 0.00 0.00 54.13 54.17 2e4m s LEU 86 Cb 0.04 -2.81 -0.01 0.00 0.03 0.00 0.00 46.19 43.44 2e4m s LEU 86 CO 0.12 0.07 -0.10 0.26 0.23 0.00 0.00 176.35 176.94 2e4m s TRP 87 N 0.10 0.85 -0.54 0.29 0.52 -0.32 -3.48 118.94 116.35 2e4m s TRP 87 Ca 0.29 -0.28 -0.03 0.00 0.02 0.00 0.00 56.10 56.10 2e4m s TRP 87 Cb -0.17 -0.52 0.14 0.00 -1.15 0.00 0.00 33.47 31.77 2e4m s TRP 87 CO 0.14 -0.01 0.34 1.21 0.02 0.00 0.00 176.95 178.65 2e4m s ASN 88 N -0.78 5.21 -0.27 2.95 3.04 0.36 0.22 114.94 125.67 2e4m s ASN 88 Ca -0.00 -2.54 -0.29 0.00 0.04 0.00 0.00 52.86 50.07 2e4m s ASN 88 Cb -0.06 -1.84 -0.02 0.00 -1.54 0.00 0.00 41.25 37.79 2e4m s ASN 88 CO 0.00 -0.43 1.65 -2.84 -3.04 0.00 0.00 177.10 172.44 2e4m s PRO 89 N 0.40 3.63 -0.41 0.43 0.02 -1.26 -1.64 135.00 136.18 2e4m s PRO 89 Ca 0.13 1.52 -0.20 0.00 0.02 0.00 0.00 61.00 62.47 2e4m s PRO 89 Cb -0.21 -4.08 0.02 0.00 0.02 0.00 0.00 34.50 30.24 2e4m s PRO 89 CO -0.04 -1.49 0.63 0.42 -0.33 0.00 0.00 177.00 176.19 2e4m s ILE 90 N 5.74 4.86 0.09 2.83 1.01 0.56 -4.47 121.20 131.81 2e4m s ILE 90 Ca 0.73 0.23 -0.30 0.00 0.00 0.00 0.00 60.65 61.31 2e4m s ILE 90 Cb -0.23 -4.15 -0.06 0.00 0.01 0.00 0.00 42.46 38.03 2e4m s ILE 90 CO 0.31 -0.50 1.12 -0.75 0.00 0.00 0.00 174.94 175.13 2e4m s LYS 91 N 2.75 4.51 0.00 2.79 2.20 0.23 -1.68 119.74 130.54 2e4m s LYS 91 Ca 0.23 1.69 0.00 0.00 -0.36 0.00 0.00 55.97 57.53 2e4m s LYS 91 Cb -0.14 -3.34 0.00 0.00 -1.51 0.00 0.00 37.83 32.84 2e4m s LYS 91 CO 0.17 -0.10 0.10 0.44 -0.36 0.00 0.00 175.35 175.61 2e4m n ILE 92 N 3.34 0.00 -3.58 5.43 -5.35 -0.40 -3.70 119.36 115.10 2e4m n ILE 92 Ca 0.06 -0.20 -0.04 0.00 -0.27 0.00 0.00 62.75 62.30 2e4m n ILE 92 Cb 0.47 1.31 0.02 0.00 -1.74 0.00 0.00 39.64 39.70 2e4m n ILE 92 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2e4m n ALA 93 N -0.19 -1.33 -0.21 -1.28 0.00 -1.21 -4.96 120.51 111.32 2e4m n ALA 93 Ca 0.00 -0.72 -0.00 0.00 0.00 0.00 0.00 53.44 52.71 2e4m n ALA 93 Cb 0.08 0.51 0.07 0.00 0.00 0.00 0.00 19.45 20.11 2e4m n ALA 93 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 2e4m h ILE 94 N 1.61 0.37 -0.15 0.00 2.10 -2.03 -3.06 117.51 116.35 2e4m h ILE 94 Ca -0.19 -0.00 -0.19 0.00 1.08 0.00 0.00 64.86 65.56 2e4m h ILE 94 Cb 0.76 0.37 -0.31 0.00 -1.09 0.00 0.00 36.82 36.54 2e4m h ILE 94 CO 0.25 0.00 -0.92 -0.46 -1.08 0.00 0.00 178.15 175.94 2e4m n ASN 95 N -5.42 1.61 -4.45 2.19 6.94 -1.26 -5.08 115.26 109.78 2e4m n ASN 95 Ca 0.08 -2.56 -0.33 0.00 -0.02 0.00 0.00 54.58 51.75 2e4m n ASN 95 Cb 0.33 -0.39 -0.13 0.00 -2.36 0.00 0.00 39.78 37.23 2e4m n ASN 95 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 177.26 175.79 2e4m s SER 96 N -2.77 4.02 -0.02 0.53 0.01 -1.16 -1.48 113.70 112.83 2e4m s SER 96 Ca 0.35 -0.23 -0.04 0.00 1.31 0.00 0.00 55.95 57.34 2e4m s SER 96 Cb 0.37 -1.04 0.00 0.00 0.21 0.00 0.00 66.02 65.57 2e4m s SER 96 CO -0.10 0.30 0.08 -0.31 0.41 0.00 0.00 173.24 173.62 2e4m s TYR 97 N -0.45 -0.01 -0.23 2.43 2.02 0.75 -1.27 117.35 120.59 2e4m s TYR 97 Ca 0.06 0.05 -0.16 0.00 -0.37 0.00 0.00 57.07 56.64 2e4m s TYR 97 Cb -0.12 -0.02 -0.04 0.00 -0.40 0.00 0.00 41.96 41.39 2e4m s TYR 97 CO 0.02 -0.12 0.41 0.42 -1.57 0.00 0.00 175.55 174.71 2e4m s ILE 98 N -0.48 5.17 -0.58 2.71 -1.09 -0.68 -0.15 121.20 126.10 2e4m s ILE 98 Ca -0.06 0.69 -0.20 0.00 -2.23 0.00 0.00 60.65 58.85 2e4m s ILE 98 Cb -0.04 -3.73 0.08 0.00 -1.58 0.00 0.00 42.46 37.19 2e4m s ILE 98 CO 0.00 0.20 0.75 -0.63 -1.23 0.00 0.00 174.94 174.03 2e4m s ILE 99 N 1.69 4.71 0.01 2.92 -1.09 -1.26 -0.33 121.20 127.86 2e4m s ILE 99 Ca 0.18 -0.65 -0.13 0.00 -2.23 0.00 0.00 60.65 57.82 2e4m s ILE 99 Cb -0.15 -4.48 -0.06 0.00 -1.58 0.00 0.00 42.46 36.20 2e4m s ILE 99 CO 0.09 -1.10 0.39 0.00 -1.23 0.00 0.00 174.94 173.09 2e4m s THR 101 N -1.16 2.28 -0.18 0.00 2.01 0.24 -0.49 115.64 118.35 2e4m s THR 101 Ca 0.26 0.24 -0.07 0.00 0.31 0.00 0.00 61.69 62.43 2e4m s THR 101 Cb -0.16 -3.16 -0.04 0.00 0.01 0.00 0.00 72.50 69.16 2e4m s THR 101 CO 0.14 0.04 0.07 -1.48 -0.69 0.00 0.00 174.62 172.70 2e4m s LEU 102 N -0.69 3.87 0.00 4.42 0.05 -1.23 -4.68 118.68 120.43 2e4m s LEU 102 Ca 0.60 0.12 0.00 0.00 0.05 0.00 0.00 54.13 54.90 2e4m s LEU 102 Cb -0.45 -1.97 0.00 0.00 -2.05 0.00 0.00 46.19 41.71 2e4m s LEU 102 CO 0.48 0.20 0.00 -0.24 -0.55 0.00 0.00 176.35 176.24 2e4m n SER 103 N 3.37 0.00 -3.63 1.48 2.88 -1.26 -4.93 113.62 111.53 2e4m n SER 103 Ca -0.17 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.25 2e4m n SER 103 Cb 0.52 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.93 2e4m n SER 103 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 2e4m s ILE 104 N 0.00 0.06 0.33 2.46 1.10 -1.26 -5.18 121.20 118.70 2e4m s ILE 104 Ca 0.00 -0.46 -0.08 0.00 -0.51 0.00 0.00 60.65 59.59 2e4m s ILE 104 Cb 0.00 -1.05 -0.06 0.00 0.15 0.00 0.00 42.46 41.49 2e4m s ILE 104 CO 0.00 -0.26 0.65 0.68 -2.11 0.00 0.00 174.94 173.90 2e4m s VAL 105 N -3.12 4.90 0.00 4.00 -7.23 -1.26 -4.23 120.40 113.45 2e4m s VAL 105 Ca -0.01 0.38 0.00 0.00 -1.81 0.00 0.00 61.98 60.54 2e4m s VAL 105 Cb 0.00 -3.71 0.00 0.00 0.56 0.00 0.00 36.38 33.24 2e4m s VAL 105 CO -0.07 -0.36 0.00 -3.20 -0.31 0.00 0.00 175.10 171.16 2e4m n ASN 106 N -0.93 0.00 -4.45 4.85 5.15 -1.26 -4.98 115.26 113.64 2e4m n ASN 106 Ca 0.00 0.00 -0.28 0.00 -0.60 0.00 0.00 54.58 53.70 2e4m n ASN 106 Cb 0.54 -0.40 0.14 0.00 -0.53 0.00 0.00 39.78 39.53 2e4m n ASN 106 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2e4m s VAL 107 N -0.89 2.05 0.20 3.44 0.11 -1.26 -5.05 120.40 119.00 2e4m s VAL 107 Ca 0.00 -0.10 -0.30 0.00 -2.93 0.00 0.00 61.98 58.65 2e4m s VAL 107 Cb 0.00 -2.94 -0.08 0.00 -1.53 0.00 0.00 36.38 31.82 2e4m s VAL 107 CO 0.00 0.00 1.12 -0.89 -3.33 0.00 0.00 175.10 172.00 2e4m s THR 108 N -3.66 3.72 0.38 5.04 2.01 -1.26 -5.02 115.64 116.85 2e4m s THR 108 Ca 0.69 1.52 -0.26 0.00 0.31 0.00 0.00 61.69 63.95 2e4m s THR 108 Cb -0.06 -3.97 -0.09 0.00 0.01 0.00 0.00 72.50 68.39 2e4m s THR 108 CO 0.50 0.28 1.19 -1.81 -0.69 0.00 0.00 174.62 174.09 2e4m s ASP 109 N -0.21 6.59 0.09 3.53 1.01 -1.26 -4.92 116.67 121.51 2e4m s ASP 109 Ca 0.49 2.40 0.10 0.00 0.71 0.00 0.00 52.55 56.25 2e4m s ASP 109 Cb -0.31 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 40.97 2e4m s ASP 109 CO 0.37 -0.63 -0.26 -0.31 0.21 0.00 0.00 175.17 174.54 2e4m s TYR 110 N -1.36 2.26 0.10 4.23 2.02 -1.26 0.55 117.35 123.90 2e4m s TYR 110 Ca 0.55 -0.39 -0.09 0.00 -0.37 0.00 0.00 57.07 56.77 2e4m s TYR 110 Cb -0.32 -1.28 -0.00 0.00 -0.40 0.00 0.00 41.96 39.96 2e4m s TYR 110 CO 0.41 0.24 0.22 0.00 -1.57 0.00 0.00 175.55 174.85 2e4m s ALA 111 N -0.96 -0.22 0.22 3.71 0.00 -0.11 -0.59 121.76 123.82 2e4m s ALA 111 Ca 0.12 -0.64 -0.32 0.00 0.00 0.00 0.00 51.96 51.13 2e4m s ALA 111 Cb -0.10 0.56 -0.12 0.00 0.00 0.00 0.00 23.12 23.46 2e4m s ALA 111 CO 0.04 -0.54 1.69 0.91 0.00 0.00 0.00 175.76 177.87 2e4m n TRP 112 N -0.10 2.75 -4.08 0.00 7.02 -0.43 -1.96 117.44 120.63 2e4m n TRP 112 Ca -0.14 0.09 -0.23 0.00 -1.02 0.00 0.00 57.50 56.20 2e4m n TRP 112 Cb 0.63 -2.66 -0.17 0.00 -2.42 0.00 0.00 31.31 26.69 2e4m n TRP 112 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 2e4m s THR 113 N 0.94 0.70 -0.34 -0.99 2.01 0.74 -4.35 115.64 114.35 2e4m s THR 113 Ca 0.73 -0.16 0.00 0.00 0.31 0.00 0.00 61.69 62.58 2e4m s THR 113 Cb -0.51 -0.73 0.08 0.00 0.01 0.00 0.00 72.50 71.35 2e4m s THR 113 CO 0.35 0.28 0.06 -0.51 -0.69 0.00 0.00 174.62 174.12 2e4m s ILE 114 N 1.29 2.79 0.41 1.82 1.10 0.15 -1.15 121.20 127.61 2e4m s ILE 114 Ca -0.05 -1.89 -0.26 0.00 -0.51 0.00 0.00 60.65 57.95 2e4m s ILE 114 Cb -0.14 -2.83 -0.08 0.00 0.15 0.00 0.00 42.46 39.56 2e4m s ILE 114 CO -0.02 -0.42 1.27 -0.47 -2.11 0.00 0.00 174.94 173.19 2e4m s TYR 115 N 1.10 2.87 0.08 3.50 5.04 -1.26 -4.59 117.35 124.09 2e4m s TYR 115 Ca 0.03 1.45 0.07 0.00 -2.44 0.00 0.00 57.07 56.18 2e4m s TYR 115 Cb -0.21 -3.59 -0.03 0.00 0.35 0.00 0.00 41.96 38.48 2e4m s TYR 115 CO -0.04 -1.90 -0.19 0.16 -1.34 0.00 0.00 175.55 172.24 2e4m s ASP 116 N -0.87 2.29 -0.43 4.32 -4.77 -1.26 -4.63 116.67 111.32 2e4m s ASP 116 Ca 0.58 -0.63 -0.07 0.00 -3.30 0.00 0.00 52.55 49.13 2e4m s ASP 116 Cb -0.36 -0.13 0.11 0.00 -1.09 0.00 0.00 42.92 41.45 2e4m s ASP 116 CO 0.46 0.04 0.27 0.20 0.70 0.00 0.00 175.17 176.84 2e4m s ASN 117 N -1.72 5.51 -1.37 2.11 -0.87 -0.53 -4.69 114.94 113.36 2e4m s ASN 117 Ca 0.04 -1.84 -0.12 0.00 -1.57 0.00 0.00 52.86 49.37 2e4m s ASN 117 Cb -0.10 -1.93 0.01 0.00 -0.02 0.00 0.00 41.25 39.21 2e4m s ASN 117 CO 0.03 -0.59 0.39 -3.20 -2.57 0.00 0.00 177.10 171.16 2e4m n ASN 118 N 4.79 -1.48 0.00 -1.22 4.05 -1.26 -1.37 115.26 118.77 2e4m n ASN 118 Ca -0.07 -1.18 0.00 0.00 0.45 0.00 0.00 54.58 53.78 2e4m n ASN 118 Cb 0.41 -2.22 0.00 0.00 1.23 0.00 0.00 39.78 39.20 2e4m n ASN 118 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 2e4m n ASN 119 N -2.70 -0.54 -4.61 1.20 5.03 -1.26 -5.02 115.26 107.37 2e4m n ASN 119 Ca -0.24 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 54.81 2e4m n ASN 119 Cb 0.65 -0.63 -0.07 0.00 -1.02 0.00 0.00 39.78 38.71 2e4m n ASN 119 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 2e4m s ASN 120 N -2.67 6.49 -0.02 6.41 3.84 -0.47 -4.81 114.94 123.70 2e4m s ASN 120 Ca 0.00 0.50 0.09 0.00 0.21 0.00 0.00 52.86 53.67 2e4m s ASN 120 Cb 0.00 -2.31 0.26 0.00 -0.55 0.00 0.00 41.25 38.65 2e4m s ASN 120 CO 0.00 -0.39 1.22 2.30 -2.79 0.00 0.00 177.10 177.44 2e4m n ILE 121 N 5.27 1.17 -1.67 -5.21 -5.35 -1.26 -1.46 119.36 110.85 2e4m n ILE 121 Ca -0.02 -1.14 -0.49 0.00 -0.27 0.00 0.00 62.75 60.83 2e4m n ILE 121 Cb 0.49 0.39 -0.05 0.00 -1.74 0.00 0.00 39.64 38.74 2e4m n ILE 121 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 2e4m n THR 122 N 0.12 0.22 -0.94 7.28 -1.04 -1.26 -1.75 114.28 116.92 2e4m n THR 122 Ca 0.10 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 2e4m n THR 122 Cb 0.45 -1.51 0.00 0.00 -1.82 0.00 0.00 70.33 67.45 2e4m n THR 122 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2e4m n ASP 123 N 4.55 -3.26 -4.74 8.00 8.00 -1.26 -4.99 116.55 122.84 2e4m n ASP 123 Ca 0.20 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.29 2e4m n ASP 123 Cb 0.26 -1.69 -0.05 0.00 -0.02 0.00 0.00 41.12 39.63 2e4m n ASP 123 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2e4m s GLN 124 N -0.80 4.69 0.68 -1.24 -1.52 -0.72 -5.05 119.66 115.71 2e4m s GLN 124 Ca 0.00 1.61 -0.06 0.00 -1.95 0.00 0.00 55.36 54.96 2e4m s GLN 124 Cb 0.00 -3.29 0.05 0.00 -0.22 0.00 0.00 33.01 29.55 2e4m s GLN 124 CO 0.00 0.24 0.99 -1.25 -0.25 0.00 0.00 175.29 175.01 2e4m s PRO 125 N -0.64 2.35 -0.14 2.91 0.04 -1.26 -4.47 135.00 133.80 2e4m s PRO 125 Ca 0.46 -0.22 -0.21 0.00 0.04 0.00 0.00 61.00 61.08 2e4m s PRO 125 Cb -0.28 -2.20 -0.03 0.00 0.04 0.00 0.00 34.50 32.03 2e4m s PRO 125 CO 0.34 -1.12 0.61 0.42 0.04 0.00 0.00 177.00 177.29 2e4m s ILE 126 N -3.18 5.08 0.20 0.56 1.01 -1.26 -4.48 121.20 119.12 2e4m s ILE 126 Ca 0.59 1.20 0.08 0.00 0.00 0.00 0.00 60.65 62.51 2e4m s ILE 126 Cb -0.11 -3.94 -0.04 0.00 0.01 0.00 0.00 42.46 38.39 2e4m s ILE 126 CO 0.45 0.22 0.02 -0.76 0.00 0.00 0.00 174.94 174.86 2e4m s LEU 127 N 1.20 3.36 -0.50 2.97 1.43 -0.30 -0.91 118.68 125.94 2e4m s LEU 127 Ca 0.31 -0.41 -0.19 0.00 -1.03 0.00 0.00 54.13 52.80 2e4m s LEU 127 Cb -0.16 -1.98 0.06 0.00 0.03 0.00 0.00 46.19 44.14 2e4m s LEU 127 CO 0.13 0.06 0.60 0.21 0.23 0.00 0.00 176.35 177.57 2e4m s ASN 128 N -3.15 6.22 0.10 2.29 3.04 0.07 -0.18 114.94 123.32 2e4m s ASN 128 Ca 0.29 -0.92 0.01 0.00 0.04 0.00 0.00 52.86 52.28 2e4m s ASN 128 Cb -0.09 -2.28 -0.04 0.00 -1.54 0.00 0.00 41.25 37.30 2e4m s ASN 128 CO 0.20 -0.85 -0.06 -0.76 -3.04 0.00 0.00 177.10 172.59 2e4m s LEU 129 N 2.52 2.48 0.45 3.21 1.43 -0.83 -4.89 118.68 123.05 2e4m s LEU 129 Ca 0.14 -1.01 -0.24 0.00 -1.03 0.00 0.00 54.13 51.99 2e4m s LEU 129 Cb -0.19 -0.04 -0.09 0.00 0.03 0.00 0.00 46.19 45.89 2e4m s LEU 129 CO 0.12 -0.49 1.07 -2.65 0.23 0.00 0.00 176.35 174.63 2e4m n PRO 130 N -0.04 1.43 -4.69 1.29 -0.02 -1.26 -0.93 135.00 130.78 2e4m n PRO 130 Ca -0.12 0.51 -0.24 0.00 -2.02 0.00 0.00 63.50 61.64 2e4m n PRO 130 Cb 0.61 -2.14 -0.16 0.00 -0.02 0.00 0.00 33.50 31.79 2e4m n PRO 130 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2e4m s ASN 131 N -0.76 1.80 0.00 2.55 3.84 0.19 -4.73 114.94 117.83 2e4m s ASN 131 Ca 0.64 -0.28 0.00 0.00 0.21 0.00 0.00 52.86 53.43 2e4m s ASN 131 Cb -0.52 -0.36 0.00 0.00 -0.55 0.00 0.00 41.25 39.81 2e4m s ASN 131 CO 0.56 0.15 0.00 0.49 -2.79 0.00 0.00 177.10 175.51 2e4m n PHE 132 N 2.98 0.00 -3.87 0.43 3.72 -1.26 -4.10 117.46 115.35 2e4m n PHE 132 Ca -0.16 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.14 2e4m n PHE 132 Cb 0.54 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 39.08 2e4m n PHE 132 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 2e4m s ASP 133 N -0.61 0.07 -0.10 4.37 -4.77 -1.26 -5.04 116.67 109.33 2e4m s ASP 133 Ca 0.00 -1.07 0.15 0.00 -3.30 0.00 0.00 52.55 48.34 2e4m s ASP 133 Cb 0.00 0.78 0.54 0.00 -1.09 0.00 0.00 42.92 43.14 2e4m s ASP 133 CO 0.00 -1.52 1.45 2.30 0.70 0.00 0.00 175.17 178.10 2e4m n ILE 134 N -0.51 1.77 0.10 2.11 -5.35 -1.26 -4.48 119.36 111.74 2e4m n ILE 134 Ca -0.06 -1.38 0.10 0.00 -0.27 0.00 0.00 62.75 61.15 2e4m n ILE 134 Cb 0.60 0.10 -0.16 0.00 -1.74 0.00 0.00 39.64 38.44 2e4m n ILE 134 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2e4m n ASN 135 N 0.37 0.28 -4.59 7.28 4.05 -1.26 -4.94 115.26 116.45 2e4m n ASN 135 Ca 0.20 -0.11 -0.42 0.00 0.45 0.00 0.00 54.58 54.70 2e4m n ASN 135 Cb 0.76 1.85 -0.03 0.00 1.23 0.00 0.00 39.78 43.60 2e4m n ASN 135 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 177.26 174.42 2e4m s ASN 136 N -4.25 6.04 0.47 1.20 3.04 -1.26 -4.89 114.94 115.28 2e4m s ASN 136 Ca -0.06 0.79 0.20 0.00 0.04 0.00 0.00 52.86 53.83 2e4m s ASN 136 Cb 0.14 -2.54 1.20 0.00 -1.54 0.00 0.00 41.25 38.51 2e4m s ASN 136 CO 0.87 -1.68 1.93 0.28 -3.04 0.00 0.00 177.10 175.46 2e4m h SER 137 N 11.90 0.24 0.53 -4.21 0.02 -1.95 -0.20 113.55 119.87 2e4m h SER 137 Ca -0.29 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 2e4m h SER 137 Cb 1.13 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.64 2e4m h SER 137 CO 1.11 0.12 0.00 0.59 -1.14 0.00 0.00 176.83 177.50 2e4m n ASN 138 N -4.43 0.00 -0.17 3.07 3.02 -1.26 -3.08 115.26 112.41 2e4m n ASN 138 Ca 0.14 0.07 0.04 0.00 -0.03 0.00 0.00 54.58 54.80 2e4m n ASN 138 Cb 0.61 -0.33 0.08 0.00 -0.61 0.00 0.00 39.78 39.53 2e4m n ASN 138 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2e4m n GLN 139 N -1.33 2.47 -4.19 3.52 6.02 -0.09 0.33 117.38 124.10 2e4m n GLN 139 Ca 0.10 -1.99 -0.34 0.00 -0.01 0.00 0.00 57.00 54.76 2e4m n GLN 139 Cb 0.21 -1.25 -0.13 0.00 1.02 0.00 0.00 30.24 30.09 2e4m n GLN 139 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2e4m s ILE 140 N -1.70 3.65 0.06 5.09 1.01 -1.18 -4.19 121.20 123.94 2e4m s ILE 140 Ca 0.16 -0.42 0.09 0.00 0.00 0.00 0.00 60.65 60.48 2e4m s ILE 140 Cb 0.12 -2.63 -0.03 0.00 0.01 0.00 0.00 42.46 39.94 2e4m s ILE 140 CO 0.04 0.45 -0.26 -0.76 0.00 0.00 0.00 174.94 174.41 2e4m s LEU 141 N 0.93 2.20 -0.22 2.97 1.02 0.78 -3.99 118.68 122.37 2e4m s LEU 141 Ca -0.00 -0.61 -0.09 0.00 0.02 0.00 0.00 54.13 53.45 2e4m s LEU 141 Cb -0.15 -1.24 -0.04 0.00 0.02 0.00 0.00 46.19 44.79 2e4m s LEU 141 CO 0.01 0.23 0.11 -0.54 0.02 0.00 0.00 176.35 176.18 2e4m s LYS 142 N -1.39 3.96 -0.36 1.70 1.02 0.05 -0.17 119.74 124.54 2e4m s LYS 142 Ca 0.12 -0.33 -0.08 0.00 0.02 0.00 0.00 55.97 55.69 2e4m s LYS 142 Cb -0.10 -3.38 0.04 0.00 -0.52 0.00 0.00 37.83 33.86 2e4m s LYS 142 CO 0.03 0.09 0.16 -0.51 -0.92 0.00 0.00 175.35 174.20 2e4m s LEU 143 N 0.91 4.55 -0.29 3.17 1.02 -0.55 -1.48 118.68 126.01 2e4m s LEU 143 Ca 0.06 -1.11 -0.10 0.00 0.02 0.00 0.00 54.13 52.99 2e4m s LEU 143 Cb -0.13 -1.94 -0.03 0.00 0.02 0.00 0.00 46.19 44.10 2e4m s LEU 143 CO 0.03 -0.37 0.17 -1.61 0.02 0.00 0.00 176.35 174.60 2e4m s GLU 144 N 1.47 3.69 0.33 1.70 2.02 -0.22 -4.87 118.70 122.82 2e4m s GLU 144 Ca 0.00 -0.49 -0.28 0.00 0.02 0.00 0.00 54.97 54.22 2e4m s GLU 144 Cb -0.20 -3.61 -0.09 0.00 0.10 0.00 0.00 34.13 30.33 2e4m s GLU 144 CO 0.04 -0.28 1.17 0.21 0.02 0.00 0.00 175.26 176.42 2e4m s LYS 145 N 1.70 4.40 0.00 1.61 2.20 -1.26 -1.24 119.74 127.15 2e4m s LYS 145 Ca 0.06 1.91 0.17 0.00 -0.36 0.00 0.00 55.97 57.74 2e4m s LYS 145 Cb -0.16 -3.00 0.13 0.00 -1.51 0.00 0.00 37.83 33.29 2e4m s LYS 145 CO 0.09 -0.04 1.02 1.28 -0.36 0.00 0.00 175.35 177.34