#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b4m s THR 2 N 0.00 4.13 -1.13 2.03 2.01 -1.26 -3.93 115.64 117.50 1b4m s THR 2 Ca 0.00 1.99 -0.10 0.00 0.31 0.00 0.00 61.69 63.89 1b4m s THR 2 Cb 0.00 -4.23 0.09 0.00 0.01 0.00 0.00 72.50 68.36 1b4m s THR 2 CO 0.00 0.41 0.38 0.29 -0.69 0.00 0.00 174.62 175.01 1b4m n LYS 3 N 1.26 -2.73 -2.31 4.92 5.02 -1.26 -4.85 118.16 118.21 1b4m n LYS 3 Ca -0.01 0.32 -0.41 0.00 -2.02 0.00 0.00 58.31 56.18 1b4m n LYS 3 Cb 0.48 -4.95 -0.03 0.00 -0.02 0.00 0.00 35.03 30.51 1b4m n LYS 3 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1b4m s ASP 4 N -2.64 5.98 0.01 4.39 2.15 -1.25 -4.91 116.67 120.39 1b4m s ASP 4 Ca 0.38 0.36 0.00 0.00 0.43 0.00 0.00 52.55 53.72 1b4m s ASP 4 Cb -0.21 -2.54 -0.01 0.00 -0.30 0.00 0.00 42.92 39.86 1b4m s ASP 4 CO 0.47 -1.82 -0.02 -1.10 -0.17 0.00 0.00 175.17 172.53 1b4m s GLN 5 N 5.76 0.22 0.00 4.34 -0.21 -1.26 -5.10 119.66 123.42 1b4m s GLN 5 Ca 0.56 -0.38 0.00 0.00 0.02 0.00 0.00 55.36 55.57 1b4m s GLN 5 Cb -0.12 0.00 0.00 0.00 1.00 0.00 0.00 33.01 33.89 1b4m s GLN 5 CO 0.25 -0.01 0.00 -1.71 -2.12 0.00 0.00 175.29 171.69 1b4m n ASN 6 N 2.21 0.00 0.00 5.90 2.85 -1.26 -4.53 115.26 120.43 1b4m n ASN 6 Ca -0.19 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.28 1b4m n ASN 6 Cb 0.57 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.59 1b4m n ASN 6 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1b4m n GLY 7 N 0.00 -0.25 3.15 8.20 0.00 -1.19 -5.00 105.19 110.10 1b4m n GLY 7 Ca 0.00 -1.55 -0.21 0.00 0.00 0.00 0.00 46.02 44.26 1b4m n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1b4m s THR 8 N -2.53 1.15 -0.19 2.61 2.01 -1.26 -1.89 115.64 115.54 1b4m s THR 8 Ca 0.00 -0.97 -0.04 0.00 0.31 0.00 0.00 61.69 60.99 1b4m s THR 8 Cb 0.00 -1.03 0.06 0.00 0.01 0.00 0.00 72.50 71.54 1b4m s THR 8 CO 0.00 0.05 0.07 0.26 -0.69 0.00 0.00 174.62 174.32 1b4m s TRP 9 N -0.79 0.51 -0.03 4.92 0.52 0.15 -1.62 118.94 122.59 1b4m s TRP 9 Ca 0.02 -0.55 0.19 0.00 0.02 0.00 0.00 56.10 55.78 1b4m s TRP 9 Cb -0.08 -0.83 1.03 0.00 -1.15 0.00 0.00 33.47 32.44 1b4m s TRP 9 CO 0.01 -0.57 1.53 0.93 0.02 0.00 0.00 176.95 178.87 1b4m h GLU 10 N 8.35 0.00 -5.32 4.98 5.08 -1.81 0.16 114.58 126.02 1b4m h GLU 10 Ca -0.16 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 1b4m h GLU 10 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1b4m h GLU 10 CO 0.32 0.00 -0.60 -0.12 -1.00 0.00 0.00 179.01 177.60 1b4m n MET 11 N -2.22 -2.52 -0.26 2.33 0.00 -1.26 -4.54 117.12 108.65 1b4m n MET 11 Ca -0.01 2.19 0.17 0.00 -0.00 0.00 0.00 57.70 60.04 1b4m n MET 11 Cb 0.18 -5.46 0.31 0.00 0.00 0.00 0.00 33.22 28.25 1b4m n MET 11 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1b4m n GLU 12 N -0.14 -0.05 -3.60 2.12 1.02 -1.05 -4.57 120.64 114.36 1b4m n GLU 12 Ca 0.09 1.11 -0.10 0.00 -0.02 0.00 0.00 57.16 58.24 1b4m n GLU 12 Cb 0.40 -1.85 -0.03 0.00 -0.02 0.00 0.00 31.44 29.95 1b4m n GLU 12 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1b4m s SER 13 N -4.86 -0.39 -0.07 1.62 1.04 -0.53 -5.05 113.70 105.45 1b4m s SER 13 Ca -0.09 -0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.08 1b4m s SER 13 Cb 0.24 0.60 0.02 0.00 0.10 0.00 0.00 66.02 66.98 1b4m s SER 13 CO 0.60 -1.03 -0.06 0.21 0.98 0.00 0.00 173.24 173.94 1b4m s ASN 14 N -2.82 1.58 0.00 7.02 2.47 -1.26 -0.86 114.94 121.07 1b4m s ASN 14 Ca 0.05 -0.20 0.00 0.00 0.42 0.00 0.00 52.86 53.13 1b4m s ASN 14 Cb -0.01 -0.62 0.00 0.00 -1.45 0.00 0.00 41.25 39.16 1b4m s ASN 14 CO -0.07 -0.09 0.00 -0.62 -3.72 0.00 0.00 177.10 172.60 1b4m n GLU 15 N 4.51 2.82 -1.49 0.43 -0.58 -1.26 -4.89 120.64 120.18 1b4m n GLU 15 Ca -0.17 0.00 -0.47 0.00 -0.42 0.00 0.00 57.16 56.10 1b4m n GLU 15 Cb 0.51 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.35 1b4m n GLU 15 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1b4m n ASN 16 N 0.00 -0.02 0.00 1.62 5.15 -1.26 -4.89 115.26 115.86 1b4m n ASN 16 Ca 0.00 1.15 0.00 0.00 -0.60 0.00 0.00 54.58 55.13 1b4m n ASN 16 Cb 0.00 -1.10 0.00 0.00 -0.53 0.00 0.00 39.78 38.15 1b4m n ASN 16 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 1b4m n PHE 17 N 0.20 0.00 0.19 1.20 7.35 -1.26 -4.72 117.46 120.43 1b4m n PHE 17 Ca 0.14 0.00 0.09 0.00 -0.76 0.00 0.00 57.45 56.92 1b4m n PHE 17 Cb 0.27 0.07 0.17 0.00 0.35 0.00 0.00 39.48 40.35 1b4m n PHE 17 CO 0.00 0.00 0.00 1.05 -0.76 0.00 0.00 176.76 177.05 1b4m h GLU 18 N 0.00 0.00 -0.02 -4.13 9.09 -1.94 -2.87 114.58 114.72 1b4m h GLU 18 Ca 0.00 0.00 -0.14 0.00 0.05 0.00 0.00 59.36 59.27 1b4m h GLU 18 Cb 0.66 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.75 1b4m h GLU 18 CO 0.00 0.20 -0.65 0.78 0.05 0.00 0.00 179.01 179.39 1b4m h GLY 19 N 3.53 0.09 1.63 1.06 0.00 -1.98 -0.99 103.07 106.42 1b4m h GLY 19 Ca -0.00 -0.13 -0.13 0.00 0.00 0.00 0.00 47.33 47.07 1b4m h GLY 19 CO 0.03 0.11 -0.47 -1.82 0.00 0.00 0.00 176.54 174.39 1b4m h TYR 20 N 0.06 0.49 0.00 5.60 3.20 -1.83 0.11 116.97 124.61 1b4m h TYR 20 Ca -0.01 -0.15 -0.06 0.00 3.14 0.00 0.00 58.73 61.65 1b4m h TYR 20 Cb 1.15 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.32 1b4m h TYR 20 CO 0.01 0.80 -0.27 0.52 -1.64 0.00 0.00 178.16 177.58 1b4m h MET 21 N 0.33 0.00 0.00 1.82 2.86 -1.23 -2.16 114.93 116.55 1b4m h MET 21 Ca 0.02 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.58 1b4m h MET 21 Cb 0.95 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.60 1b4m h MET 21 CO 0.08 0.27 -0.40 0.87 1.06 0.00 0.00 176.91 178.79 1b4m h LYS 22 N 0.00 0.00 -0.16 1.72 1.57 -0.66 -1.59 116.57 117.45 1b4m h LYS 22 Ca -0.00 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1b4m h LYS 22 Cb 0.87 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 1b4m h LYS 22 CO 0.03 0.40 -0.13 0.00 -0.57 0.00 0.00 179.45 179.18 1b4m h ALA 23 N 1.60 1.49 -0.04 3.86 0.00 -0.10 -1.70 119.26 124.37 1b4m h ALA 23 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1b4m h ALA 23 Cb 1.22 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1b4m h ALA 23 CO 0.05 0.36 0.00 1.47 0.00 0.00 0.00 179.25 181.13 1b4m n LEU 24 N -4.27 2.59 0.00 0.00 -0.00 -1.20 -4.95 117.00 109.18 1b4m n LEU 24 Ca -0.01 -3.07 0.00 0.00 -0.00 0.00 0.00 56.01 52.93 1b4m n LEU 24 Cb 0.27 -0.45 0.00 0.00 -0.00 0.00 0.00 43.42 43.24 1b4m n LEU 24 CO 0.38 0.70 0.00 -0.67 -0.00 0.00 0.00 177.39 177.80 1b4m n ASP 25 N -1.28 0.00 -2.99 1.45 -0.08 -0.62 -4.70 116.55 108.33 1b4m n ASP 25 Ca 0.17 0.00 -0.16 0.00 -1.51 0.00 0.00 54.79 53.29 1b4m n ASP 25 Cb 0.68 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 44.11 1b4m n ASP 25 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1b4m n ILE 26 N 0.00 0.00 -1.34 5.18 3.06 -1.11 -3.87 119.36 121.29 1b4m n ILE 26 Ca 0.00 0.00 0.18 0.00 -2.50 0.00 0.00 62.75 60.43 1b4m n ILE 26 Cb 0.00 -0.18 -0.05 0.00 0.54 0.00 0.00 39.64 39.94 1b4m n ILE 26 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 1b4m n ASP 27 N -1.54 -7.98 -4.75 9.51 8.00 -1.26 -4.98 116.55 113.55 1b4m n ASP 27 Ca 0.04 0.74 -0.24 0.00 0.71 0.00 0.00 54.79 56.05 1b4m n ASP 27 Cb 0.40 -4.18 -0.07 0.00 -0.02 0.00 0.00 41.12 37.25 1b4m n ASP 27 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1b4m s PHE 28 N -2.64 2.64 0.00 1.24 0.08 -1.26 -4.81 117.98 113.22 1b4m s PHE 28 Ca 0.00 -0.53 0.00 0.00 0.12 0.00 0.00 56.93 56.52 1b4m s PHE 28 Cb 0.00 -1.90 0.00 0.00 -0.57 0.00 0.00 43.02 40.55 1b4m s PHE 28 CO 0.00 0.19 0.00 0.00 -0.10 0.00 0.00 175.22 175.31 1b4m n ALA 29 N -1.25 -2.44 0.00 5.36 0.00 -1.26 -5.04 120.51 115.88 1b4m n ALA 29 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1b4m n ALA 29 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.08 1b4m n ALA 29 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1b4m n THR 30 N 0.31 0.00 0.00 0.00 -1.04 -1.26 -4.99 114.28 107.30 1b4m n THR 30 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1b4m n THR 30 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 1b4m n THR 30 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1b4m n ARG 31 N 0.00 0.00 0.05 -2.82 0.00 -1.26 -1.74 116.66 110.89 1b4m n ARG 31 Ca 0.00 0.31 -0.10 0.00 -0.00 0.00 0.00 57.85 58.06 1b4m n ARG 31 Cb 0.00 -1.66 -0.13 0.00 -0.00 0.00 0.00 32.46 30.67 1b4m n ARG 31 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.63 177.41 1b4m h LYS 32 N 0.00 0.07 0.00 2.89 1.63 -2.04 -3.40 116.57 115.72 1b4m h LYS 32 Ca 0.00 -0.12 0.00 0.00 -0.85 0.00 0.00 60.65 59.68 1b4m h LYS 32 Cb 0.32 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.99 1b4m h LYS 32 CO 0.00 0.93 -0.20 -0.89 -3.45 0.00 0.00 179.45 175.84 1b4m n ILE 33 N -3.32 0.36 -0.33 2.00 -0.00 -0.95 -4.80 119.36 112.33 1b4m n ILE 33 Ca -0.07 -0.41 0.05 0.00 -0.00 0.00 0.00 62.75 62.31 1b4m n ILE 33 Cb 0.99 0.58 0.11 0.00 -0.00 0.00 0.00 39.64 41.33 1b4m n ILE 33 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1b4m n ALA 34 N -0.24 2.24 -0.34 -1.39 0.00 -0.71 -4.61 120.51 115.46 1b4m n ALA 34 Ca 0.02 -1.42 0.12 0.00 0.00 0.00 0.00 53.44 52.16 1b4m n ALA 34 Cb 0.57 -0.32 0.32 0.00 0.00 0.00 0.00 19.45 20.02 1b4m n ALA 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1b4m h VAL 35 N 1.08 0.79 0.00 0.00 2.07 -1.82 -3.43 116.25 114.94 1b4m h VAL 35 Ca 0.00 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1b4m h VAL 35 Cb 0.78 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1b4m h VAL 35 CO 0.03 0.15 0.00 -1.14 0.02 0.00 0.00 177.57 176.63 1b4m n ARG 36 N -4.67 0.00 -0.07 1.57 0.63 -1.26 -5.01 116.66 107.84 1b4m n ARG 36 Ca 0.21 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 57.06 1b4m n ARG 36 Cb 0.50 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.39 1b4m n ARG 36 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1b4m n LEU 37 N 0.00 1.77 -2.20 6.15 4.77 -1.26 -4.87 117.00 121.35 1b4m n LEU 37 Ca 0.00 0.30 -0.02 0.00 -0.03 0.00 0.00 56.01 56.26 1b4m n LEU 37 Cb 0.00 -0.69 0.05 0.00 -2.33 0.00 0.00 43.42 40.45 1b4m n LEU 37 CO 0.00 -0.32 0.36 0.41 -1.33 0.00 0.00 177.39 176.51 1b4m n THR 38 N -4.27 0.28 -1.83 -5.08 -1.04 -1.26 -5.11 114.28 95.98 1b4m n THR 38 Ca -0.12 -1.21 -0.42 0.00 -2.04 0.00 0.00 64.05 60.26 1b4m n THR 38 Cb 0.45 0.96 -0.03 0.00 -1.82 0.00 0.00 70.33 69.89 1b4m n THR 38 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1b4m s GLN 39 N -0.80 3.99 -0.07 -2.82 0.74 -1.26 -4.36 119.66 115.08 1b4m s GLN 39 Ca 0.14 2.29 0.05 0.00 0.05 0.00 0.00 55.36 57.88 1b4m s GLN 39 Cb 0.31 -4.11 -0.00 0.00 1.10 0.00 0.00 33.01 30.31 1b4m s GLN 39 CO -0.09 -1.10 -0.22 0.99 -0.55 0.00 0.00 175.29 174.33 1b4m s THR 40 N 4.86 1.85 -0.06 -0.34 2.01 -1.26 -4.57 115.64 118.13 1b4m s THR 40 Ca 0.83 -0.92 -0.00 0.00 0.31 0.00 0.00 61.69 61.90 1b4m s THR 40 Cb -0.36 -1.59 -0.03 0.00 0.01 0.00 0.00 72.50 70.52 1b4m s THR 40 CO 0.35 0.52 -0.01 -0.75 -0.69 0.00 0.00 174.62 174.04 1b4m s LYS 41 N 0.16 2.88 0.10 4.92 2.36 0.57 0.29 119.74 131.02 1b4m s LYS 41 Ca -0.11 -0.49 0.04 0.00 -2.55 0.00 0.00 55.97 52.86 1b4m s LYS 41 Cb -0.15 -2.72 -0.04 0.00 -1.05 0.00 0.00 37.83 33.87 1b4m s LYS 41 CO 0.06 0.67 -0.11 0.42 1.55 0.00 0.00 175.35 177.94 1b4m s ILE 42 N -0.93 1.00 -0.05 5.43 1.09 0.27 0.32 121.20 128.33 1b4m s ILE 42 Ca 0.15 -1.67 0.01 0.00 -1.10 0.00 0.00 60.65 58.04 1b4m s ILE 42 Cb -0.11 -1.40 0.02 0.00 -1.06 0.00 0.00 42.46 39.90 1b4m s ILE 42 CO 0.04 -0.55 -0.06 -0.51 -0.10 0.00 0.00 174.94 173.76 1b4m s ILE 43 N -2.44 0.68 -0.39 2.92 2.07 -0.79 0.91 121.20 124.16 1b4m s ILE 43 Ca 0.06 -0.20 0.08 0.00 -1.41 0.00 0.00 60.65 59.19 1b4m s ILE 43 Cb -0.03 -0.69 0.44 0.00 0.13 0.00 0.00 42.46 42.31 1b4m s ILE 43 CO 0.00 0.26 1.09 0.52 -1.91 0.00 0.00 174.94 174.90 1b4m n VAL 44 N 4.06 2.08 -1.53 4.00 0.31 -1.19 -3.19 118.33 122.88 1b4m n VAL 44 Ca -0.23 -4.42 -0.45 0.00 -0.01 0.00 0.00 64.34 59.23 1b4m n VAL 44 Cb 0.51 -0.79 -0.05 0.00 -0.91 0.00 0.00 33.84 32.60 1b4m n VAL 44 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1b4m n GLN 45 N -0.43 1.44 -0.06 5.55 0.00 -1.26 -3.69 117.38 118.93 1b4m n GLN 45 Ca 0.33 0.35 0.04 0.00 -0.00 0.00 0.00 57.00 57.71 1b4m n GLN 45 Cb 0.73 -2.92 0.05 0.00 0.00 0.00 0.00 30.24 28.10 1b4m n GLN 45 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 1b4m n ASP 46 N 11.57 1.76 0.00 1.69 2.03 -1.26 -4.90 116.55 127.44 1b4m n ASP 46 Ca 0.36 -2.28 0.00 0.00 0.52 0.00 0.00 54.79 53.39 1b4m n ASP 46 Cb 0.37 -0.17 0.00 0.00 -0.72 0.00 0.00 41.12 40.60 1b4m n ASP 46 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1b4m n GLY 47 N -0.74 0.66 5.00 0.27 0.00 -1.26 -4.79 105.19 104.33 1b4m n GLY 47 Ca 0.06 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.20 1b4m n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1b4m n ASP 48 N 0.00 0.00 -4.37 1.61 8.00 -1.26 -4.61 116.55 115.92 1b4m n ASP 48 Ca 0.00 0.00 -0.46 0.00 0.71 0.00 0.00 54.79 55.04 1b4m n ASP 48 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.09 1b4m n ASP 48 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1b4m s ASN 49 N 0.00 6.90 -0.42 -2.24 -0.87 -1.26 0.29 114.94 117.34 1b4m s ASN 49 Ca 0.00 -2.81 -0.16 0.00 -1.57 0.00 0.00 52.86 48.32 1b4m s ASN 49 Cb 0.00 -2.27 0.02 0.00 -0.02 0.00 0.00 41.25 38.98 1b4m s ASN 49 CO 0.00 -0.62 0.38 0.12 -2.57 0.00 0.00 177.10 174.41 1b4m s PHE 50 N 0.48 3.20 -0.35 2.20 5.36 -1.12 -4.04 117.98 123.71 1b4m s PHE 50 Ca 0.26 -0.47 0.04 0.00 -0.96 0.00 0.00 56.93 55.80 1b4m s PHE 50 Cb -0.08 -2.78 0.10 0.00 -0.34 0.00 0.00 43.02 39.92 1b4m s PHE 50 CO -0.08 -0.66 0.06 0.15 -1.46 0.00 0.00 175.22 173.23 1b4m s LYS 51 N 1.95 1.49 1.04 10.12 1.02 -1.24 -3.71 119.74 130.40 1b4m s LYS 51 Ca 0.09 -1.90 -0.15 0.00 0.02 0.00 0.00 55.97 54.03 1b4m s LYS 51 Cb -0.18 -3.19 0.21 0.00 -0.52 0.00 0.00 37.83 34.15 1b4m s LYS 51 CO 0.12 -0.95 1.14 0.99 -0.92 0.00 0.00 175.35 175.73 1b4m s THR 52 N 0.85 1.87 -0.24 2.17 2.01 0.52 -3.17 115.64 119.64 1b4m s THR 52 Ca 0.11 0.00 -0.28 0.00 0.31 0.00 0.00 61.69 61.84 1b4m s THR 52 Cb -0.19 -2.64 0.15 0.00 0.01 0.00 0.00 72.50 69.83 1b4m s THR 52 CO -0.08 0.00 1.16 -0.75 -0.69 0.00 0.00 174.62 174.27 1b4m s LYS 53 N -5.33 0.36 -0.21 4.92 2.36 0.26 -0.41 119.74 121.69 1b4m s LYS 53 Ca 0.68 0.22 -0.12 0.00 -2.55 0.00 0.00 55.97 54.20 1b4m s LYS 53 Cb -0.13 0.17 -0.05 0.00 -1.05 0.00 0.00 37.83 36.78 1b4m s LYS 53 CO 0.55 -0.09 0.23 -0.08 1.55 0.00 0.00 175.35 177.51 1b4m s THR 54 N -0.54 5.32 -0.47 3.43 -1.32 -1.26 0.96 115.64 121.76 1b4m s THR 54 Ca 0.03 0.36 0.01 0.00 -1.21 0.00 0.00 61.69 60.88 1b4m s THR 54 Cb -0.03 -3.57 0.47 0.00 -1.51 0.00 0.00 72.50 67.87 1b4m s THR 54 CO -0.06 0.35 1.91 -3.20 -2.21 0.00 0.00 174.62 171.41 1b4m n ASN 55 N 4.07 5.52 -4.60 8.08 2.85 0.14 -4.37 115.26 126.96 1b4m n ASN 55 Ca -0.13 -3.46 -0.43 0.00 -0.11 0.00 0.00 54.58 50.45 1b4m n ASN 55 Cb 0.52 -0.90 -0.02 0.00 1.24 0.00 0.00 39.78 40.62 1b4m n ASN 55 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1b4m s SER 56 N -1.07 6.63 0.37 1.20 0.01 -1.26 -4.54 113.70 115.04 1b4m s SER 56 Ca 0.51 0.48 0.13 0.00 1.31 0.00 0.00 55.95 58.38 1b4m s SER 56 Cb 0.42 -2.55 0.95 0.00 0.21 0.00 0.00 66.02 65.05 1b4m s SER 56 CO 0.04 -1.26 1.82 0.00 0.41 0.00 0.00 173.24 174.25 1b4m h THR 57 N 6.24 0.68 0.00 1.44 1.03 -1.90 0.52 112.91 120.92 1b4m h THR 57 Ca -0.23 -0.19 -0.06 0.00 -0.01 0.00 0.00 66.41 65.92 1b4m h THR 57 Cb 1.06 0.08 -0.01 0.00 -1.07 0.00 0.00 68.15 68.21 1b4m h THR 57 CO 1.13 0.10 -0.28 2.19 -0.01 0.00 0.00 175.52 178.65 1b4m h PHE 58 N 0.55 0.00 -0.31 0.00 -0.00 -1.97 -3.43 116.94 111.77 1b4m h PHE 58 Ca 0.52 0.00 0.21 0.00 -0.00 0.00 0.00 57.97 58.70 1b4m h PHE 58 Cb 1.10 0.00 -0.19 0.00 -0.00 0.00 0.00 35.95 36.86 1b4m h PHE 58 CO -0.00 0.28 -0.03 0.50 -0.00 0.00 0.00 178.31 179.06 1b4m s ARG 59 N -3.42 0.17 -0.72 6.09 6.06 0.18 -5.07 118.95 122.25 1b4m s ARG 59 Ca 0.02 0.18 -0.07 0.00 -2.50 0.00 0.00 55.73 53.36 1b4m s ARG 59 Cb 0.09 0.09 0.19 0.00 0.06 0.00 0.00 34.95 35.37 1b4m s ARG 59 CO 0.67 -0.32 0.58 -0.80 -2.50 0.00 0.00 175.30 172.94 1b4m s ASN 60 N 2.95 5.86 0.20 -2.12 -0.87 -1.03 -4.37 114.94 115.56 1b4m s ASN 60 Ca 0.24 -2.84 0.10 0.00 -1.57 0.00 0.00 52.86 48.79 1b4m s ASN 60 Cb -0.03 -2.00 0.04 0.00 -0.02 0.00 0.00 41.25 39.25 1b4m s ASN 60 CO -0.22 -0.44 1.42 0.22 -2.57 0.00 0.00 177.10 175.51 1b4m h TYR 61 N 7.27 0.00 -2.31 2.20 3.20 -1.91 -3.49 116.97 121.93 1b4m h TYR 61 Ca 0.04 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1b4m h TYR 61 Cb 0.98 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.25 1b4m h TYR 61 CO 0.84 0.79 -0.54 -3.47 -1.64 0.00 0.00 178.16 174.14 1b4m n ASP 62 N -3.47 -6.13 -3.55 -2.11 -0.08 -1.26 -4.83 116.55 95.11 1b4m n ASP 62 Ca -0.00 0.76 -0.41 0.00 -1.51 0.00 0.00 54.79 53.63 1b4m n ASP 62 Cb 0.79 -2.44 0.02 0.00 2.34 0.00 0.00 41.12 41.84 1b4m n ASP 62 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1b4m n LEU 63 N -0.08 7.34 -4.32 -2.67 7.94 0.45 -4.95 117.00 120.72 1b4m n LEU 63 Ca 0.00 -5.34 -0.46 0.00 -1.11 0.00 0.00 56.01 49.10 1b4m n LEU 63 Cb 0.00 -1.15 -0.05 0.00 0.53 0.00 0.00 43.42 42.75 1b4m n LEU 63 CO 0.00 2.02 0.21 1.51 -1.11 0.00 0.00 177.39 180.02 1b4m s ASP 64 N -1.35 6.27 0.37 1.96 -4.77 -1.25 -0.36 116.67 117.55 1b4m s ASP 64 Ca 0.41 -1.87 0.05 0.00 -3.30 0.00 0.00 52.55 47.83 1b4m s ASP 64 Cb 0.22 -2.22 -0.02 0.00 -1.09 0.00 0.00 42.92 39.81 1b4m s ASP 64 CO -0.16 -0.85 0.17 2.22 0.70 0.00 0.00 175.17 177.25 1b4m n PHE 65 N 5.20 -0.07 -4.24 2.11 1.16 -1.24 -5.01 117.46 115.36 1b4m n PHE 65 Ca -0.10 -2.55 -0.17 0.00 -1.87 0.00 0.00 57.45 52.76 1b4m n PHE 65 Cb 0.41 0.06 -0.11 0.00 -1.61 0.00 0.00 39.48 38.23 1b4m n PHE 65 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 1b4m s THR 66 N -3.08 1.29 0.13 1.97 2.01 -1.26 -2.80 115.64 113.90 1b4m s THR 66 Ca 0.24 -1.78 -0.30 0.00 0.31 0.00 0.00 61.69 60.16 1b4m s THR 66 Cb 0.01 -1.58 -0.06 0.00 0.01 0.00 0.00 72.50 70.87 1b4m s THR 66 CO 0.17 -0.48 1.00 0.54 -0.69 0.00 0.00 174.62 175.15 1b4m s VAL 67 N -2.37 4.31 -1.14 3.82 0.11 0.15 -3.47 120.40 121.79 1b4m s VAL 67 Ca 0.10 1.95 0.00 0.00 -2.93 0.00 0.00 61.98 61.10 1b4m s VAL 67 Cb -0.03 -4.24 0.00 0.00 -1.53 0.00 0.00 36.38 30.57 1b4m s VAL 67 CO 0.03 0.31 0.00 0.61 -3.33 0.00 0.00 175.10 172.72 1b4m n GLY 68 N 2.18 0.78 0.19 6.54 0.00 0.12 -4.85 105.19 110.15 1b4m n GLY 68 Ca 0.02 -0.46 0.07 0.00 0.00 0.00 0.00 46.02 45.65 1b4m n GLY 68 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1b4m h VAL 69 N 0.00 0.76 -5.54 1.61 2.07 -1.80 -3.48 116.25 109.87 1b4m h VAL 69 Ca -0.25 -1.50 -0.07 0.00 0.82 0.00 0.00 66.70 65.70 1b4m h VAL 69 Cb 0.92 1.96 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 1b4m h VAL 69 CO 0.34 0.34 -0.38 1.21 0.02 0.00 0.00 177.57 179.10 1b4m n GLU 70 N -3.43 -1.80 -1.37 1.57 2.13 -1.26 -4.86 120.64 111.62 1b4m n GLU 70 Ca 0.00 1.67 -0.41 0.00 0.66 0.00 0.00 57.16 59.09 1b4m n GLU 70 Cb 0.52 -5.17 0.01 0.00 0.27 0.00 0.00 31.44 27.07 1b4m n GLU 70 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1b4m n PHE 71 N -1.16 -1.41 -2.53 4.31 3.01 -1.21 -4.87 117.46 113.60 1b4m n PHE 71 Ca 0.01 0.56 -0.35 0.00 1.01 0.00 0.00 57.45 58.68 1b4m n PHE 71 Cb 0.51 -1.87 0.01 0.00 -0.01 0.00 0.00 39.48 38.12 1b4m n PHE 71 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1b4m n ASP 72 N 1.67 6.34 -0.74 4.37 9.92 -1.26 -3.82 116.55 133.03 1b4m n ASP 72 Ca 0.11 -3.73 0.00 0.00 -0.53 0.00 0.00 54.79 50.64 1b4m n ASP 72 Cb 0.42 -0.90 0.00 0.00 -0.64 0.00 0.00 41.12 40.00 1b4m n ASP 72 CO 0.00 0.00 0.00 -1.84 0.13 0.00 0.00 177.20 175.49 1b4m n GLU 73 N -0.27 0.00 -3.54 -1.24 0.28 -0.04 -4.86 120.64 110.97 1b4m n GLU 73 Ca 0.44 0.00 -0.01 0.00 -0.16 0.00 0.00 57.16 57.43 1b4m n GLU 73 Cb 0.34 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.16 1b4m n GLU 73 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 1b4m s HIS 74 N 0.00 -0.61 0.23 -1.84 2.46 -1.26 -3.71 115.29 110.56 1b4m s HIS 74 Ca 0.00 1.15 -0.22 0.00 0.47 0.00 0.00 55.06 56.45 1b4m s HIS 74 Cb 0.00 0.37 0.04 0.00 -0.13 0.00 0.00 32.58 32.85 1b4m s HIS 74 CO 0.00 -0.30 0.77 -0.08 -2.47 0.00 0.00 174.74 172.65 1b4m s THR 75 N 1.82 0.00 0.15 0.89 -1.32 -1.26 -4.50 115.64 111.41 1b4m s THR 75 Ca -0.06 -0.81 -0.15 0.00 -1.21 0.00 0.00 61.69 59.46 1b4m s THR 75 Cb -0.05 -1.88 0.02 0.00 -1.51 0.00 0.00 72.50 69.09 1b4m s THR 75 CO -0.16 0.00 0.40 -0.54 -2.21 0.00 0.00 174.62 172.11 1b4m s LYS 76 N -3.74 1.14 0.00 7.08 3.01 -1.26 -2.64 119.74 123.33 1b4m s LYS 76 Ca 0.10 -0.83 0.00 0.00 -1.01 0.00 0.00 55.97 54.24 1b4m s LYS 76 Cb -0.04 0.46 0.00 0.00 -1.01 0.00 0.00 37.83 37.24 1b4m s LYS 76 CO 0.04 -0.45 0.00 0.41 0.51 0.00 0.00 175.35 175.86 1b4m n GLY 77 N -0.24 1.53 1.21 -3.33 0.00 -1.26 -4.78 105.19 98.32 1b4m n GLY 77 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1b4m n GLY 77 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1b4m n LEU 78 N 0.00 0.54 0.03 0.99 7.94 -1.26 -5.06 117.00 120.18 1b4m n LEU 78 Ca 0.00 0.13 -0.01 0.00 -1.11 0.00 0.00 56.01 55.02 1b4m n LEU 78 Cb 0.00 -0.12 -0.00 0.00 0.53 0.00 0.00 43.42 43.83 1b4m n LEU 78 CO 0.00 -0.66 -0.14 -0.67 -1.11 0.00 0.00 177.39 174.81 1b4m n ASP 79 N -3.11 0.98 0.00 1.96 2.03 -1.26 -4.64 116.55 112.50 1b4m n ASP 79 Ca 0.00 0.13 0.00 0.00 0.52 0.00 0.00 54.79 55.44 1b4m n ASP 79 Cb 0.00 -0.31 0.00 0.00 -0.72 0.00 0.00 41.12 40.09 1b4m n ASP 79 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1b4m n GLY 80 N 3.29 0.72 0.00 0.27 0.00 -1.25 -5.01 105.19 103.20 1b4m n GLY 80 Ca -0.01 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1b4m n GLY 80 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1b4m n ARG 81 N 0.00 0.00 0.00 1.61 0.63 -1.08 -4.90 116.66 112.92 1b4m n ARG 81 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1b4m n ARG 81 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 1b4m n ARG 81 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1b4m n ASN 82 N 0.00 0.60 -0.73 6.15 2.85 -1.24 -4.33 115.26 118.56 1b4m n ASN 82 Ca 0.00 -1.22 0.09 0.00 -0.11 0.00 0.00 54.58 53.34 1b4m n ASN 82 Cb 0.00 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.00 1b4m n ASN 82 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1b4m n VAL 83 N -0.11 0.00 -2.42 3.44 0.31 -1.26 -4.09 118.33 114.20 1b4m n VAL 83 Ca 0.00 0.03 -0.38 0.00 -0.01 0.00 0.00 64.34 63.98 1b4m n VAL 83 Cb 0.30 -0.26 -0.02 0.00 -0.91 0.00 0.00 33.84 32.95 1b4m n VAL 83 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1b4m s LYS 84 N -1.76 3.47 -1.21 5.55 3.01 -1.26 -0.86 119.74 126.69 1b4m s LYS 84 Ca 0.00 -1.56 -0.07 0.00 -1.01 0.00 0.00 55.97 53.33 1b4m s LYS 84 Cb 0.00 -5.41 0.21 0.00 -1.01 0.00 0.00 37.83 31.62 1b4m s LYS 84 CO 0.00 -2.75 1.79 2.41 0.51 0.00 0.00 175.35 177.31 1b4m n THR 85 N 6.91 4.77 -1.83 2.17 -1.04 -1.25 -0.68 114.28 123.33 1b4m n THR 85 Ca 0.45 -4.92 -0.36 0.00 -2.04 0.00 0.00 64.05 57.18 1b4m n THR 85 Cb 0.47 -2.23 0.05 0.00 -1.82 0.00 0.00 70.33 66.81 1b4m n THR 85 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1b4m s LEU 86 N -1.23 3.57 0.02 -4.42 0.20 -1.26 -3.29 118.68 112.27 1b4m s LEU 86 Ca 0.38 2.43 0.04 0.00 0.69 0.00 0.00 54.13 57.67 1b4m s LEU 86 Cb 0.09 -4.60 -0.02 0.00 -0.43 0.00 0.00 46.19 41.23 1b4m s LEU 86 CO 0.03 -1.82 -0.13 -0.69 -0.29 0.00 0.00 176.35 173.45 1b4m s VAL 87 N -1.63 1.01 0.28 1.68 1.01 -1.26 -1.88 120.40 119.61 1b4m s VAL 87 Ca 0.78 -0.76 -0.20 0.00 0.00 0.00 0.00 61.98 61.80 1b4m s VAL 87 Cb -0.32 -0.89 0.04 0.00 0.00 0.00 0.00 36.38 35.22 1b4m s VAL 87 CO 0.37 0.12 0.82 0.28 0.00 0.00 0.00 175.10 176.69 1b4m s THR 88 N -0.58 0.00 0.27 3.92 -1.32 0.14 -0.70 115.64 117.36 1b4m s THR 88 Ca 0.03 -0.89 -0.05 0.00 -1.21 0.00 0.00 61.69 59.56 1b4m s THR 88 Cb -0.06 -2.35 -0.05 0.00 -1.51 0.00 0.00 72.50 68.53 1b4m s THR 88 CO 0.00 0.00 0.53 0.26 -2.21 0.00 0.00 174.62 173.20 1b4m s TRP 89 N -3.15 3.47 -0.10 9.09 0.52 -1.26 -0.69 118.94 126.82 1b4m s TRP 89 Ca 0.14 0.63 -0.07 0.00 0.02 0.00 0.00 56.10 56.82 1b4m s TRP 89 Cb -0.05 -2.09 -0.05 0.00 -1.15 0.00 0.00 33.47 30.14 1b4m s TRP 89 CO 0.07 0.21 -0.16 -1.91 0.02 0.00 0.00 176.95 175.19 1b4m n GLU 90 N -0.79 0.26 0.00 4.98 0.00 0.51 -4.79 120.64 120.81 1b4m n GLU 90 Ca -0.02 0.11 0.00 0.00 0.00 0.00 0.00 57.16 57.25 1b4m n GLU 90 Cb 0.54 -0.93 0.00 0.00 0.00 0.00 0.00 31.44 31.04 1b4m n GLU 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1b4m n GLY 91 N 2.31 -0.93 2.65 8.31 0.00 -1.26 -4.93 105.19 111.33 1b4m n GLY 91 Ca -0.20 0.61 -0.12 0.00 0.00 0.00 0.00 46.02 46.30 1b4m n GLY 91 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1b4m n ASN 92 N 0.00 -3.09 -3.64 1.61 0.23 -1.26 -5.03 115.26 104.08 1b4m n ASN 92 Ca 0.00 -0.37 -0.02 0.00 -0.53 0.00 0.00 54.58 53.66 1b4m n ASN 92 Cb 0.00 -3.40 -0.03 0.00 -2.08 0.00 0.00 39.78 34.27 1b4m n ASN 92 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1b4m s THR 93 N -3.22 0.00 0.04 5.53 -1.32 -1.26 -4.70 115.64 110.71 1b4m s THR 93 Ca 0.14 0.00 -0.22 0.00 -1.21 0.00 0.00 61.69 60.41 1b4m s THR 93 Cb -0.06 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.87 1b4m s THR 93 CO 0.46 0.00 0.64 -0.22 -2.21 0.00 0.00 174.62 173.29 1b4m s LEU 94 N -1.76 4.47 -0.07 9.08 2.96 -1.26 0.19 118.68 132.29 1b4m s LEU 94 Ca 0.11 1.29 -0.05 0.00 -0.22 0.00 0.00 54.13 55.26 1b4m s LEU 94 Cb -0.01 -3.01 0.03 0.00 0.50 0.00 0.00 46.19 43.70 1b4m s LEU 94 CO -0.04 0.14 0.18 -0.69 -1.32 0.00 0.00 176.35 174.61 1b4m s VAL 95 N -0.48 -0.03 0.03 1.68 1.01 0.14 -0.24 120.40 122.52 1b4m s VAL 95 Ca 0.32 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.42 1b4m s VAL 95 Cb -0.19 -0.27 -0.02 0.00 0.00 0.00 0.00 36.38 35.89 1b4m s VAL 95 CO 0.20 0.04 -0.07 0.00 0.00 0.00 0.00 175.10 175.27 1b4m s VAL 97 N -1.26 2.05 -0.38 0.00 1.01 -0.79 -3.92 120.40 117.11 1b4m s VAL 97 Ca -0.10 -3.50 -0.28 0.00 0.00 0.00 0.00 61.98 58.10 1b4m s VAL 97 Cb -0.09 -2.38 -0.07 0.00 0.00 0.00 0.00 36.38 33.84 1b4m s VAL 97 CO 0.00 -1.01 2.33 0.00 0.00 0.00 0.00 175.10 176.42 1b4m n GLN 98 N 2.59 1.39 -3.46 2.72 6.02 -1.25 -4.05 117.38 121.33 1b4m n GLN 98 Ca 0.18 0.25 -0.28 0.00 -0.01 0.00 0.00 57.00 57.13 1b4m n GLN 98 Cb 0.37 -3.19 -0.11 0.00 1.02 0.00 0.00 30.24 28.32 1b4m n GLN 98 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1b4m s LYS 99 N 7.32 0.72 0.13 -1.09 2.47 0.15 -4.47 119.74 124.98 1b4m s LYS 99 Ca 1.02 -1.63 0.00 0.00 -1.56 0.00 0.00 55.97 53.80 1b4m s LYS 99 Cb -0.35 -1.42 0.00 0.00 -1.46 0.00 0.00 37.83 34.60 1b4m s LYS 99 CO 0.33 -1.26 0.00 0.41 0.16 0.00 0.00 175.35 174.99 1b4m n GLY 100 N 3.62 -1.01 3.99 5.54 0.00 -1.26 -4.14 105.19 111.93 1b4m n GLY 100 Ca 0.17 0.20 -0.19 0.00 0.00 0.00 0.00 46.02 46.21 1b4m n GLY 100 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1b4m s GLU 101 N -1.34 2.71 0.03 1.61 -6.30 -1.26 -5.00 118.70 109.14 1b4m s GLU 101 Ca 0.00 -1.01 -0.05 0.00 -2.50 0.00 0.00 54.97 51.40 1b4m s GLU 101 Cb 0.00 -2.63 -0.01 0.00 0.00 0.00 0.00 34.13 31.48 1b4m s GLU 101 CO 0.00 -0.47 0.36 1.17 0.02 0.00 0.00 175.26 176.34 1b4m n LYS 102 N -2.08 -0.07 -1.75 4.30 0.00 -1.26 -4.59 118.16 112.71 1b4m n LYS 102 Ca 0.08 0.36 -0.39 0.00 0.00 0.00 0.00 58.31 58.36 1b4m n LYS 102 Cb 0.59 -0.53 0.04 0.00 0.00 0.00 0.00 35.03 35.13 1b4m n LYS 102 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1b4m n GLU 103 N -3.54 1.80 -3.67 1.64 0.28 -1.26 -4.98 120.64 110.90 1b4m n GLU 103 Ca 0.00 0.66 -0.37 0.00 -0.16 0.00 0.00 57.16 57.29 1b4m n GLU 103 Cb 0.04 -2.58 -0.08 0.00 1.43 0.00 0.00 31.44 30.25 1b4m n GLU 103 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 1b4m s ASN 104 N -0.82 5.51 0.00 -1.84 -0.87 -1.26 -4.74 114.94 110.92 1b4m s ASN 104 Ca 0.70 -3.08 0.18 0.00 -1.57 0.00 0.00 52.86 49.08 1b4m s ASN 104 Cb -0.42 -1.89 0.28 0.00 -0.02 0.00 0.00 41.25 39.19 1b4m s ASN 104 CO 0.51 -0.33 1.20 0.54 -2.57 0.00 0.00 177.10 176.45 1b4m n ARG 105 N 3.20 1.99 -1.52 -0.60 5.12 -1.25 0.67 116.66 124.27 1b4m n ARG 105 Ca 0.12 -1.88 -0.45 0.00 -1.93 0.00 0.00 57.85 53.70 1b4m n ARG 105 Cb 0.38 -1.38 -0.05 0.00 -1.16 0.00 0.00 32.46 30.25 1b4m n ARG 105 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1b4m n GLY 106 N 1.07 0.58 3.90 -0.13 0.00 -1.25 -4.61 105.19 104.75 1b4m n GLY 106 Ca 0.14 0.84 -0.32 0.00 0.00 0.00 0.00 46.02 46.68 1b4m n GLY 106 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1b4m s TRP 107 N 8.58 3.51 0.28 1.61 -2.14 -1.25 -2.99 118.94 126.54 1b4m s TRP 107 Ca 1.06 0.53 -0.19 0.00 2.66 0.00 0.00 56.10 60.15 1b4m s TRP 107 Cb -0.58 -1.97 0.06 0.00 -3.10 0.00 0.00 33.47 27.88 1b4m s TRP 107 CO 0.40 0.50 0.89 -1.59 -2.66 0.00 0.00 176.95 174.49 1b4m s LYS 108 N -2.40 1.77 0.30 3.25 -2.85 -1.15 -1.85 119.74 116.81 1b4m s LYS 108 Ca 0.37 -1.11 -0.04 0.00 -1.00 0.00 0.00 55.97 54.19 1b4m s LYS 108 Cb -0.13 0.51 -0.01 0.00 -2.06 0.00 0.00 37.83 36.15 1b4m s LYS 108 CO 0.23 -0.82 0.42 1.14 0.10 0.00 0.00 175.35 176.41 1b4m s GLN 109 N -2.54 1.73 -0.12 1.78 0.00 0.67 -2.83 119.66 118.34 1b4m s GLN 109 Ca 0.17 -1.65 0.05 0.00 -0.00 0.00 0.00 55.36 53.92 1b4m s GLN 109 Cb -0.04 0.42 0.15 0.00 0.00 0.00 0.00 33.01 33.54 1b4m s GLN 109 CO 0.08 -0.70 0.88 -2.67 0.00 0.00 0.00 175.29 172.88 1b4m n TRP 110 N -0.49 -0.76 -0.30 9.60 2.14 -1.25 -4.20 117.44 122.18 1b4m n TRP 110 Ca 0.01 -0.64 0.00 0.00 2.07 0.00 0.00 57.50 58.94 1b4m n TRP 110 Cb 0.62 0.91 0.00 0.00 -0.81 0.00 0.00 31.31 32.04 1b4m n TRP 110 CO 0.00 0.00 0.00 0.28 2.07 0.00 0.00 177.69 180.04 1b4m n VAL 111 N -0.57 0.00 0.29 -1.67 0.31 -1.26 -4.79 118.33 110.64 1b4m n VAL 111 Ca -0.07 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.21 1b4m n VAL 111 Cb 0.64 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 33.60 1b4m n VAL 111 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1b4m n GLU 112 N 0.05 1.27 -0.39 5.55 -0.58 -1.18 -4.87 120.64 120.48 1b4m n GLU 112 Ca 0.00 -0.62 0.00 0.00 -0.42 0.00 0.00 57.16 56.12 1b4m n GLU 112 Cb 0.00 -1.24 0.00 0.00 -0.57 0.00 0.00 31.44 29.63 1b4m n GLU 112 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1b4m n GLY 113 N 0.35 -0.56 2.63 0.62 0.00 -1.26 -4.82 105.19 102.15 1b4m n GLY 113 Ca 0.12 -0.79 -0.11 0.00 0.00 0.00 0.00 46.02 45.24 1b4m n GLY 113 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1b4m n ASP 114 N 0.00 -5.16 -3.53 1.61 9.92 -1.26 -4.89 116.55 113.23 1b4m n ASP 114 Ca 0.00 0.28 -0.09 0.00 -0.53 0.00 0.00 54.79 54.44 1b4m n ASP 114 Cb 0.00 -3.94 -0.03 0.00 -0.64 0.00 0.00 41.12 36.50 1b4m n ASP 114 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 1b4m s LYS 115 N -2.87 0.74 -0.36 -1.24 0.00 -1.26 -1.73 119.74 113.02 1b4m s LYS 115 Ca 0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 55.97 55.80 1b4m s LYS 115 Cb 0.00 0.35 0.07 0.00 0.00 0.00 0.00 37.83 38.24 1b4m s LYS 115 CO 0.00 -0.30 0.12 -1.17 0.00 0.00 0.00 175.35 174.00 1b4m s LEU 116 N -1.97 4.57 -0.58 2.77 0.20 -1.26 -3.09 118.68 119.31 1b4m s LEU 116 Ca 0.02 -1.50 -0.26 0.00 0.69 0.00 0.00 54.13 53.08 1b4m s LEU 116 Cb -0.01 -1.82 -0.04 0.00 -0.43 0.00 0.00 46.19 43.89 1b4m s LEU 116 CO -0.05 -0.40 2.06 -0.31 -0.29 0.00 0.00 176.35 177.37 1b4m s TYR 117 N 1.28 1.45 -1.28 5.38 2.02 -1.26 -4.42 117.35 120.51 1b4m s TYR 117 Ca 0.01 1.07 -0.10 0.00 -0.37 0.00 0.00 57.07 57.68 1b4m s TYR 117 Cb -0.21 -3.90 0.16 0.00 -0.40 0.00 0.00 41.96 37.61 1b4m s TYR 117 CO -0.01 -2.35 1.86 -0.11 -1.57 0.00 0.00 175.55 173.37 1b4m n LEU 118 N 13.99 6.56 -4.59 -1.29 -0.00 -1.26 -3.81 117.00 126.61 1b4m n LEU 118 Ca 0.27 -4.61 -0.43 0.00 -0.00 0.00 0.00 56.01 51.24 1b4m n LEU 118 Cb 0.53 -1.49 -0.04 0.00 -0.00 0.00 0.00 43.42 42.42 1b4m n LEU 118 CO 0.70 1.32 0.79 -1.61 -0.00 0.00 0.00 177.39 178.60 1b4m s GLU 119 N 0.57 3.69 0.14 1.96 2.02 -1.13 -3.90 118.70 122.05 1b4m s GLU 119 Ca 0.40 0.39 0.06 0.00 0.02 0.00 0.00 54.97 55.85 1b4m s GLU 119 Cb 0.09 -3.87 -0.04 0.00 0.10 0.00 0.00 34.13 30.41 1b4m s GLU 119 CO 0.00 -1.13 -0.14 -0.48 0.02 0.00 0.00 175.26 173.53 1b4m s LEU 120 N 3.74 2.45 0.27 1.80 2.34 -0.95 -2.95 118.68 125.37 1b4m s LEU 120 Ca 0.39 -0.87 0.09 0.00 0.06 0.00 0.00 54.13 53.80 1b4m s LEU 120 Cb -0.10 -0.57 -0.04 0.00 -0.56 0.00 0.00 46.19 44.91 1b4m s LEU 120 CO 0.24 -0.16 0.02 -0.89 -1.06 0.00 0.00 176.35 174.50 1b4m s THR 121 N -2.41 3.53 0.00 5.48 2.01 -1.16 0.71 115.64 123.80 1b4m s THR 121 Ca 0.13 -1.85 0.10 0.00 0.31 0.00 0.00 61.69 60.37 1b4m s THR 121 Cb -0.03 -2.91 0.16 0.00 0.01 0.00 0.00 72.50 69.73 1b4m s THR 121 CO 0.04 -0.36 1.00 0.00 -0.69 0.00 0.00 174.62 174.60 1b4m n GLY 123 N 0.19 1.96 0.00 0.00 0.00 0.21 -4.54 105.19 103.01 1b4m n GLY 123 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1b4m n GLY 123 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1b4m n ASP 124 N 0.00 0.00 -4.58 1.61 8.00 -1.26 -4.81 116.55 115.52 1b4m n ASP 124 Ca 0.00 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.09 1b4m n ASP 124 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.09 1b4m n ASP 124 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1b4m s GLN 125 N 0.00 3.79 -0.77 -1.24 1.11 -1.26 -4.90 119.66 116.39 1b4m s GLN 125 Ca 0.00 -1.76 -0.25 0.00 0.01 0.00 0.00 55.36 53.36 1b4m s GLN 125 Cb 0.00 -5.48 -0.05 0.00 -1.01 0.00 0.00 33.01 26.47 1b4m s GLN 125 CO 0.00 -2.39 1.99 0.08 0.01 0.00 0.00 175.29 174.98 1b4m s VAL 126 N 4.92 3.35 -0.49 1.09 1.01 -1.26 -2.90 120.40 126.12 1b4m s VAL 126 Ca 0.54 -0.12 -0.28 0.00 0.00 0.00 0.00 61.98 62.12 1b4m s VAL 126 Cb 0.03 -3.84 -0.00 0.00 0.00 0.00 0.00 36.38 32.57 1b4m s VAL 126 CO 0.05 -0.80 1.60 0.00 0.00 0.00 0.00 175.10 175.95 1b4m n ARG 128 N 8.60 3.67 -1.67 0.00 0.63 -1.26 -2.24 116.66 124.38 1b4m n ARG 128 Ca 0.17 -4.04 -0.39 0.00 -0.92 0.00 0.00 57.85 52.67 1b4m n ARG 128 Cb 0.49 -2.80 0.04 0.00 0.45 0.00 0.00 32.46 30.63 1b4m n ARG 128 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1b4m n GLN 129 N 3.75 1.36 -3.96 -0.14 6.02 -1.25 -4.23 117.38 118.93 1b4m n GLN 129 Ca 0.33 0.50 -0.31 0.00 -0.01 0.00 0.00 57.00 57.51 1b4m n GLN 129 Cb 0.39 -2.31 -0.15 0.00 1.02 0.00 0.00 30.24 29.18 1b4m n GLN 129 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1b4m s VAL 130 N -1.36 1.96 1.02 5.09 1.01 -0.04 -4.37 120.40 123.72 1b4m s VAL 130 Ca 0.71 -2.10 -0.16 0.00 0.00 0.00 0.00 61.98 60.43 1b4m s VAL 130 Cb -0.45 -2.44 0.21 0.00 0.00 0.00 0.00 36.38 33.70 1b4m s VAL 130 CO 0.50 -0.58 1.22 -0.36 0.00 0.00 0.00 175.10 175.88 1b4m s PHE 131 N 1.07 1.47 -0.30 5.22 0.40 -1.26 -1.46 117.98 123.12 1b4m s PHE 131 Ca 0.10 0.49 -0.11 0.00 -0.60 0.00 0.00 56.93 56.80 1b4m s PHE 131 Cb -0.19 -3.76 0.18 0.00 0.51 0.00 0.00 43.02 39.77 1b4m s PHE 131 CO -0.11 -2.95 0.97 0.21 0.70 0.00 0.00 175.22 174.04 1b4m s LYS 132 N -5.62 0.26 0.02 0.44 2.36 -1.26 -4.52 119.74 111.42 1b4m s LYS 132 Ca 0.71 0.45 -0.37 0.00 -2.55 0.00 0.00 55.97 54.21 1b4m s LYS 132 Cb -0.08 0.25 -0.16 0.00 -1.05 0.00 0.00 37.83 36.80 1b4m s LYS 132 CO 0.54 -0.27 1.47 1.17 1.55 0.00 0.00 175.35 179.81 1b4m n LYS 133 N 5.46 1.35 0.00 4.03 4.81 -0.71 -3.76 118.16 129.35 1b4m n LYS 133 Ca -0.06 0.49 0.00 0.00 -0.87 0.00 0.00 58.31 57.87 1b4m n LYS 133 Cb 0.53 -2.17 0.00 0.00 0.02 0.00 0.00 35.03 33.41 1b4m n LYS 133 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93