#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b4m n THR 2 N 0.00 0.00 -4.37 3.17 -1.04 -1.26 -5.14 114.28 105.64 1b4m n THR 2 Ca 0.00 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.76 1b4m n THR 2 Cb 0.00 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.42 1b4m n THR 2 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1b4m s LYS 3 N -2.00 1.91 0.25 -2.82 2.47 -1.26 -4.44 119.74 113.85 1b4m s LYS 3 Ca 0.00 -1.51 -0.30 0.00 -1.56 0.00 0.00 55.97 52.60 1b4m s LYS 3 Cb 0.00 -1.98 -0.09 0.00 -1.46 0.00 0.00 37.83 34.29 1b4m s LYS 3 CO 0.00 0.38 1.31 0.16 0.16 0.00 0.00 175.35 177.36 1b4m s ASP 4 N -3.24 6.85 -0.28 1.43 1.47 -1.26 -4.94 116.67 116.70 1b4m s ASP 4 Ca 0.27 2.52 -0.33 0.00 1.18 0.00 0.00 52.55 56.20 1b4m s ASP 4 Cb -0.07 -2.63 0.18 0.00 -0.34 0.00 0.00 42.92 40.06 1b4m s ASP 4 CO 0.15 -0.53 1.36 0.00 0.68 0.00 0.00 175.17 176.83 1b4m s GLN 5 N -0.77 0.07 0.00 2.11 0.00 -1.26 -4.69 119.66 115.12 1b4m s GLN 5 Ca 0.54 -0.00 0.00 0.00 -0.00 0.00 0.00 55.36 55.90 1b4m s GLN 5 Cb -0.38 0.03 0.00 0.00 0.00 0.00 0.00 33.01 32.66 1b4m s GLN 5 CO 0.44 -0.02 0.00 0.09 0.00 0.00 0.00 175.29 175.79 1b4m n ASN 6 N 0.30 -0.22 -3.64 12.60 3.02 -1.26 -4.93 115.26 121.14 1b4m n ASN 6 Ca 0.02 0.21 -0.03 0.00 -0.03 0.00 0.00 54.58 54.75 1b4m n ASN 6 Cb 0.58 -0.32 -0.05 0.00 -0.61 0.00 0.00 39.78 39.38 1b4m n ASN 6 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1b4m s GLY 7 N 0.00 0.09 -0.55 7.41 0.00 -1.18 -5.00 107.32 108.09 1b4m s GLY 7 Ca 0.00 2.86 0.07 0.00 0.00 0.00 0.00 44.72 47.65 1b4m s GLY 7 CO 0.00 1.28 0.83 -1.30 0.00 0.00 0.00 173.10 173.91 1b4m n THR 8 N 0.79 2.10 -1.85 0.90 -2.24 -1.26 -0.67 114.28 112.05 1b4m n THR 8 Ca -0.04 -5.22 -0.42 0.00 -2.27 0.00 0.00 64.05 56.11 1b4m n THR 8 Cb 0.58 -1.45 -0.03 0.00 -2.10 0.00 0.00 70.33 67.33 1b4m n THR 8 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1b4m s TRP 9 N -2.88 2.73 -0.85 4.78 0.52 0.10 -2.82 118.94 120.52 1b4m s TRP 9 Ca 0.44 0.38 0.25 0.00 0.02 0.00 0.00 56.10 57.19 1b4m s TRP 9 Cb 0.25 -4.03 0.98 0.00 -1.15 0.00 0.00 33.47 29.52 1b4m s TRP 9 CO -0.09 -3.98 1.79 0.39 0.02 0.00 0.00 176.95 175.07 1b4m n GLU 10 N 4.63 0.11 -3.15 4.98 1.02 -0.97 -0.17 120.64 127.08 1b4m n GLU 10 Ca 0.15 0.15 -0.12 0.00 -0.02 0.00 0.00 57.16 57.33 1b4m n GLU 10 Cb 0.38 -1.64 0.01 0.00 -0.02 0.00 0.00 31.44 30.17 1b4m n GLU 10 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 1b4m n MET 11 N -1.83 -1.82 -0.17 3.49 0.00 -1.26 -4.41 117.12 111.11 1b4m n MET 11 Ca 0.05 1.61 -0.04 0.00 -0.00 0.00 0.00 57.70 59.33 1b4m n MET 11 Cb 0.33 -4.74 0.03 0.00 0.00 0.00 0.00 33.22 28.84 1b4m n MET 11 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 1b4m h GLU 12 N 1.13 -0.10 -3.61 2.12 5.08 -1.90 -3.43 114.58 113.88 1b4m h GLU 12 Ca -0.17 0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.08 1b4m h GLU 12 Cb 1.11 0.02 -0.18 0.00 0.50 0.00 0.00 28.75 30.21 1b4m h GLU 12 CO 0.26 -0.07 -0.43 -1.54 -1.00 0.00 0.00 179.01 176.24 1b4m s SER 13 N -5.17 0.06 0.00 1.42 1.04 -1.26 -5.09 113.70 104.70 1b4m s SER 13 Ca -0.14 -0.39 0.02 0.00 0.48 0.00 0.00 55.95 55.92 1b4m s SER 13 Cb 0.17 0.27 -0.01 0.00 0.10 0.00 0.00 66.02 66.55 1b4m s SER 13 CO 0.71 -0.54 -0.07 0.54 0.98 0.00 0.00 173.24 174.86 1b4m s ASN 14 N -2.06 0.85 0.98 7.02 4.22 -1.26 -3.79 114.94 120.91 1b4m s ASN 14 Ca -0.06 -0.18 0.00 0.00 -2.14 0.00 0.00 52.86 50.49 1b4m s ASN 14 Cb -0.01 -0.08 0.00 0.00 1.28 0.00 0.00 41.25 42.44 1b4m s ASN 14 CO -0.04 0.06 0.00 -0.62 -2.04 0.00 0.00 177.10 174.46 1b4m n GLU 15 N 2.74 -0.25 -0.75 3.55 1.02 -1.24 -4.81 120.64 120.90 1b4m n GLU 15 Ca -0.14 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.79 1b4m n GLU 15 Cb 0.57 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.92 1b4m n GLU 15 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1b4m n ASN 16 N -2.94 0.16 -0.02 1.62 6.94 -1.26 -4.78 115.26 114.97 1b4m n ASN 16 Ca 0.00 0.10 0.01 0.00 -0.02 0.00 0.00 54.58 54.67 1b4m n ASN 16 Cb 0.00 -0.46 -0.13 0.00 -2.36 0.00 0.00 39.78 36.82 1b4m n ASN 16 CO 0.00 0.00 0.00 2.22 -1.03 0.00 0.00 177.26 178.45 1b4m n PHE 17 N 5.24 0.31 0.07 -2.53 -1.74 -1.26 -3.48 117.46 114.06 1b4m n PHE 17 Ca 0.33 0.10 -0.17 0.00 -0.56 0.00 0.00 57.45 57.15 1b4m n PHE 17 Cb 0.01 -0.84 -0.09 0.00 1.52 0.00 0.00 39.48 40.08 1b4m n PHE 17 CO 0.00 0.00 0.00 1.49 -0.56 0.00 0.00 176.76 177.69 1b4m h GLU 18 N 0.00 0.52 0.00 3.97 4.81 -1.98 -2.49 114.58 119.41 1b4m h GLU 18 Ca -0.22 -0.61 -0.10 0.00 -0.13 0.00 0.00 59.36 58.31 1b4m h GLU 18 Cb 1.56 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 31.11 1b4m h GLU 18 CO 0.02 1.23 -0.45 0.78 -0.73 0.00 0.00 179.01 179.86 1b4m h GLY 19 N 0.87 0.00 2.00 1.92 0.00 -1.97 -2.79 103.07 103.10 1b4m h GLY 19 Ca -0.12 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.14 1b4m h GLY 19 CO 0.19 0.00 -0.33 -1.82 0.00 0.00 0.00 176.54 174.58 1b4m h TYR 20 N 0.00 0.00 -0.13 5.60 3.20 -1.58 0.02 116.97 124.08 1b4m h TYR 20 Ca -0.00 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.74 1b4m h TYR 20 Cb 1.34 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.59 1b4m h TYR 20 CO 0.00 0.33 -0.48 1.98 -1.64 0.00 0.00 178.16 178.35 1b4m h MET 21 N 0.00 0.33 0.00 1.82 4.05 -1.19 -2.85 114.93 117.09 1b4m h MET 21 Ca -0.00 -0.19 -0.03 0.00 -0.28 0.00 0.00 59.70 59.20 1b4m h MET 21 Cb 0.69 0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 31.49 1b4m h MET 21 CO 0.04 0.75 -0.15 0.87 0.23 0.00 0.00 176.91 178.65 1b4m h LYS 22 N 0.27 0.00 -0.20 0.39 1.57 -1.10 0.16 116.57 117.67 1b4m h LYS 22 Ca 0.01 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 1b4m h LYS 22 Cb 0.95 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.26 1b4m h LYS 22 CO 0.08 0.15 -0.03 0.00 -0.57 0.00 0.00 179.45 179.08 1b4m h ALA 23 N 1.85 0.27 -0.00 3.86 0.00 -0.77 -3.06 119.26 121.41 1b4m h ALA 23 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1b4m h ALA 23 Cb 0.97 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1b4m h ALA 23 CO 0.02 0.03 -0.83 1.47 0.00 0.00 0.00 179.25 179.94 1b4m n LEU 24 N -4.65 0.85 -2.97 0.00 -0.00 -1.23 -4.95 117.00 104.05 1b4m n LEU 24 Ca -0.05 -0.34 0.00 0.00 -0.00 0.00 0.00 56.01 55.62 1b4m n LEU 24 Cb 0.26 -0.08 0.00 0.00 -0.00 0.00 0.00 43.42 43.60 1b4m n LEU 24 CO 0.38 0.21 -0.29 -0.67 -0.00 0.00 0.00 177.39 177.02 1b4m n ASP 25 N -1.48 -6.54 -2.22 1.45 2.03 0.47 -4.80 116.55 105.45 1b4m n ASP 25 Ca 0.05 0.57 -0.31 0.00 0.52 0.00 0.00 54.79 55.62 1b4m n ASP 25 Cb 0.33 -1.46 0.07 0.00 -0.72 0.00 0.00 41.12 39.34 1b4m n ASP 25 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1b4m n ILE 26 N 1.70 3.32 0.00 5.18 3.06 -0.54 -4.90 119.36 127.18 1b4m n ILE 26 Ca 0.00 -3.21 0.00 0.00 -2.50 0.00 0.00 62.75 57.04 1b4m n ILE 26 Cb 0.29 -1.11 0.00 0.00 0.54 0.00 0.00 39.64 39.36 1b4m n ILE 26 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 1b4m n ASP 27 N -0.88 -0.47 -4.93 9.51 2.03 -1.26 -5.03 116.55 115.51 1b4m n ASP 27 Ca 0.57 0.00 -0.26 0.00 0.52 0.00 0.00 54.79 55.62 1b4m n ASP 27 Cb 0.78 0.91 -0.03 0.00 -0.72 0.00 0.00 41.12 42.06 1b4m n ASP 27 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1b4m s PHE 28 N -2.82 3.48 -0.37 -0.67 0.08 -1.26 -4.68 117.98 111.74 1b4m s PHE 28 Ca 0.00 0.32 -0.09 0.00 0.12 0.00 0.00 56.93 57.28 1b4m s PHE 28 Cb 0.00 -1.84 0.01 0.00 -0.57 0.00 0.00 43.02 40.62 1b4m s PHE 28 CO 0.00 0.35 0.46 0.00 -0.10 0.00 0.00 175.22 175.93 1b4m n ALA 29 N -0.85 -2.85 0.12 5.36 0.00 -1.26 -5.01 120.51 116.03 1b4m n ALA 29 Ca -0.05 0.69 0.00 0.00 0.00 0.00 0.00 53.44 54.08 1b4m n ALA 29 Cb 0.54 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.55 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 -0.61 0.13 0.00 0.00 -1.04 -1.26 -5.14 114.28 106.35 1b4m n THR 30 Ca 0.07 0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 1b4m n THR 30 Cb 0.37 -0.58 0.00 0.00 -1.82 0.00 0.00 70.33 68.31 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 -3.39 1.74 -0.39 -2.82 0.00 -1.26 -4.76 116.66 105.79 1b4m n ARG 31 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1b4m n ARG 31 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.46 1b4m n ARG 31 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 1b4m n LYS 32 N 0.00 0.00 -2.14 2.89 2.85 -1.26 -4.78 118.16 115.72 1b4m n LYS 32 Ca 0.00 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.25 1b4m n LYS 32 Cb 0.00 -1.19 0.04 0.00 -0.65 0.00 0.00 35.03 33.24 1b4m n LYS 32 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 177.40 177.79 1b4m n ILE 33 N -2.00 0.38 -2.65 0.58 -6.64 -1.26 -4.83 119.36 102.93 1b4m n ILE 33 Ca 0.00 -1.37 0.01 0.00 -1.77 0.00 0.00 62.75 59.62 1b4m n ILE 33 Cb 0.00 0.99 0.04 0.00 -1.44 0.00 0.00 39.64 39.23 1b4m n ILE 33 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1b4m n ALA 34 N -0.53 2.54 -0.18 -1.28 0.00 -1.26 -4.84 120.51 114.96 1b4m n ALA 34 Ca -0.08 -2.43 0.17 0.00 0.00 0.00 0.00 53.44 51.10 1b4m n ALA 34 Cb 0.88 -0.80 0.51 0.00 0.00 0.00 0.00 19.45 20.04 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 6.12 0.76 0.00 0.00 2.07 -1.99 -3.44 116.25 119.77 1b4m h VAL 35 Ca -0.21 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1b4m h VAL 35 Cb 1.55 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1b4m h VAL 35 CO 0.11 0.07 0.00 -1.14 0.02 0.00 0.00 177.57 176.64 1b4m n ARG 36 N -4.48 0.00 -3.66 1.57 0.63 -1.26 -4.88 116.66 104.59 1b4m n ARG 36 Ca 0.16 0.00 -0.28 0.00 -0.92 0.00 0.00 57.85 56.80 1b4m n ARG 36 Cb 0.58 0.00 -0.12 0.00 0.45 0.00 0.00 32.46 33.37 1b4m n ARG 36 CO 0.00 0.00 0.00 -0.48 -2.51 0.00 0.00 177.63 174.64 1b4m s LEU 37 N 0.00 2.86 0.00 6.15 2.34 -1.26 -4.87 118.68 123.89 1b4m s LEU 37 Ca 0.00 -3.12 0.00 0.00 0.06 0.00 0.00 54.13 51.07 1b4m s LEU 37 Cb 0.00 -1.00 0.00 0.00 -0.56 0.00 0.00 46.19 44.63 1b4m s LEU 37 CO 0.00 -0.18 0.00 0.41 -1.06 0.00 0.00 176.35 175.52 1b4m n THR 38 N 2.87 0.00 0.00 5.48 -1.04 -1.26 -2.21 114.28 118.12 1b4m n THR 38 Ca 0.19 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.20 1b4m n THR 38 Cb 0.39 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.90 1b4m n THR 38 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 1b4m n GLN 39 N -1.35 0.00 -3.32 -2.82 7.27 -1.26 -4.82 117.38 111.08 1b4m n GLN 39 Ca 0.00 0.00 -0.45 0.00 0.07 0.00 0.00 57.00 56.62 1b4m n GLN 39 Cb 0.00 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 32.59 1b4m n GLN 39 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 1b4m s THR 40 N 0.00 5.19 0.02 1.69 2.01 -1.26 -4.40 115.64 118.89 1b4m s THR 40 Ca 0.00 -1.31 -0.28 0.00 0.31 0.00 0.00 61.69 60.41 1b4m s THR 40 Cb 0.00 -4.28 -0.04 0.00 0.01 0.00 0.00 72.50 68.19 1b4m s THR 40 CO 0.00 -0.79 0.91 -0.75 -0.69 0.00 0.00 174.62 173.30 1b4m s LYS 41 N 1.70 4.57 0.26 4.92 2.36 0.76 -1.28 119.74 133.02 1b4m s LYS 41 Ca 0.04 1.30 0.11 0.00 -2.55 0.00 0.00 55.97 54.87 1b4m s LYS 41 Cb -0.28 -3.43 -0.05 0.00 -1.05 0.00 0.00 37.83 33.03 1b4m s LYS 41 CO 0.05 0.07 -0.15 0.42 1.55 0.00 0.00 175.35 177.29 1b4m s ILE 42 N 0.61 2.76 0.01 5.43 1.01 0.16 -0.72 121.20 130.46 1b4m s ILE 42 Ca 0.47 -2.17 -0.00 0.00 0.00 0.00 0.00 60.65 58.95 1b4m s ILE 42 Cb -0.21 -2.43 -0.01 0.00 0.01 0.00 0.00 42.46 39.82 1b4m s ILE 42 CO 0.26 -0.33 -0.01 -0.51 0.00 0.00 0.00 174.94 174.35 1b4m s ILE 43 N -2.27 0.08 -0.44 2.92 -1.16 0.15 -0.57 121.20 119.91 1b4m s ILE 43 Ca 0.29 -0.63 0.06 0.00 -0.51 0.00 0.00 60.65 59.85 1b4m s ILE 43 Cb -0.06 -0.19 0.17 0.00 0.61 0.00 0.00 42.46 42.99 1b4m s ILE 43 CO 0.15 -0.34 0.54 -0.69 -2.81 0.00 0.00 174.94 171.79 1b4m s VAL 44 N -1.01 -0.58 -0.30 4.00 1.01 0.53 -3.10 120.40 120.95 1b4m s VAL 44 Ca -0.11 -1.07 -0.10 0.00 0.00 0.00 0.00 61.98 60.70 1b4m s VAL 44 Cb -0.07 -0.40 -0.02 0.00 0.00 0.00 0.00 36.38 35.88 1b4m s VAL 44 CO -0.01 -0.38 0.16 -1.58 0.00 0.00 0.00 175.10 173.29 1b4m s GLN 45 N 1.09 3.55 -0.26 2.72 0.74 -1.26 -0.36 119.66 125.88 1b4m s GLN 45 Ca 0.24 -0.58 -0.01 0.00 0.05 0.00 0.00 55.36 55.06 1b4m s GLN 45 Cb -0.05 -3.57 0.14 0.00 1.10 0.00 0.00 33.01 30.63 1b4m s GLN 45 CO -0.07 -0.33 0.39 0.34 -0.55 0.00 0.00 175.29 175.07 1b4m s ASP 46 N 1.66 0.32 0.00 6.67 2.15 -0.82 -4.58 116.67 122.07 1b4m s ASP 46 Ca 0.06 0.02 0.00 0.00 0.43 0.00 0.00 52.55 53.05 1b4m s ASP 46 Cb -0.16 1.10 0.00 0.00 -0.30 0.00 0.00 42.92 43.56 1b4m s ASP 46 CO 0.07 -0.32 0.00 0.61 -0.17 0.00 0.00 175.17 175.36 1b4m n GLY 47 N 5.36 0.00 5.00 2.66 0.00 -1.26 -3.39 105.19 113.56 1b4m n GLY 47 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1b4m n GLY 47 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1b4m n ASP 48 N 2.06 0.00 -4.59 1.61 -0.08 -1.26 -4.86 116.55 109.43 1b4m n ASP 48 Ca 0.00 0.00 -0.41 0.00 -1.51 0.00 0.00 54.79 52.87 1b4m n ASP 48 Cb 0.00 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.39 1b4m n ASP 48 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 1b4m s ASN 49 N 0.00 6.41 -0.17 1.67 3.84 -1.22 -0.73 114.94 124.74 1b4m s ASN 49 Ca 0.00 0.25 0.01 0.00 0.21 0.00 0.00 52.86 53.33 1b4m s ASN 49 Cb 0.00 -2.30 0.02 0.00 -0.55 0.00 0.00 41.25 38.43 1b4m s ASN 49 CO 0.00 -0.45 -0.18 0.12 -2.79 0.00 0.00 177.10 173.80 1b4m s PHE 50 N 2.47 2.63 0.07 0.43 5.36 -0.87 -1.94 117.98 126.13 1b4m s PHE 50 Ca 0.22 -1.55 0.03 0.00 -0.96 0.00 0.00 56.93 54.67 1b4m s PHE 50 Cb -0.15 -1.84 -0.03 0.00 -0.34 0.00 0.00 43.02 40.66 1b4m s PHE 50 CO 0.12 -0.77 -0.09 0.15 -1.46 0.00 0.00 175.22 173.16 1b4m s LYS 51 N 1.34 0.70 0.32 10.12 1.02 0.51 -1.31 119.74 132.44 1b4m s LYS 51 Ca 0.05 -0.97 0.03 0.00 0.02 0.00 0.00 55.97 55.11 1b4m s LYS 51 Cb -0.13 -0.43 -0.04 0.00 -0.52 0.00 0.00 37.83 36.71 1b4m s LYS 51 CO -0.12 0.07 0.13 0.99 -0.92 0.00 0.00 175.35 175.50 1b4m s THR 52 N -1.91 0.53 -0.29 2.17 2.01 -1.17 0.20 115.64 117.18 1b4m s THR 52 Ca -0.02 -2.00 -0.26 0.00 0.31 0.00 0.00 61.69 59.72 1b4m s THR 52 Cb -0.06 -2.53 0.18 0.00 0.01 0.00 0.00 72.50 70.10 1b4m s THR 52 CO -0.00 0.00 1.37 -0.75 -0.69 0.00 0.00 174.62 174.55 1b4m s LYS 53 N -3.83 0.12 0.37 4.92 2.20 0.26 0.81 119.74 124.60 1b4m s LYS 53 Ca 0.33 0.11 -0.02 0.00 -0.36 0.00 0.00 55.97 56.04 1b4m s LYS 53 Cb 0.05 0.06 -0.04 0.00 -1.51 0.00 0.00 37.83 36.40 1b4m s LYS 53 CO 0.16 -0.02 0.61 -0.08 -0.36 0.00 0.00 175.35 175.66 1b4m s THR 54 N -0.23 5.04 -0.16 3.43 -1.32 -0.30 0.39 115.64 122.50 1b4m s THR 54 Ca 0.07 -0.18 0.18 0.00 -1.21 0.00 0.00 61.69 60.55 1b4m s THR 54 Cb -0.04 -3.84 0.45 0.00 -1.51 0.00 0.00 72.50 67.56 1b4m s THR 54 CO -0.12 -0.59 1.18 -3.20 -2.21 0.00 0.00 174.62 169.67 1b4m n ASN 55 N -1.75 1.93 -4.80 8.08 2.85 -0.41 -4.33 115.26 116.83 1b4m n ASN 55 Ca -0.03 -2.82 -0.31 0.00 -0.11 0.00 0.00 54.58 51.31 1b4m n ASN 55 Cb 0.55 -0.41 0.06 0.00 1.24 0.00 0.00 39.78 41.23 1b4m n ASN 55 CO 0.00 0.00 0.00 -0.55 -2.11 0.00 0.00 177.26 174.60 1b4m s SER 56 N -2.96 5.10 0.20 1.20 0.15 -0.44 -4.45 113.70 112.50 1b4m s SER 56 Ca 0.36 1.72 -0.03 0.00 0.70 0.00 0.00 55.95 58.71 1b4m s SER 56 Cb 0.37 -2.51 0.14 0.00 -1.71 0.00 0.00 66.02 62.31 1b4m s SER 56 CO -0.08 -1.63 1.53 0.74 1.20 0.00 0.00 173.24 174.99 1b4m h THR 57 N -0.74 1.32 0.51 6.45 2.02 -1.82 -3.25 112.91 117.40 1b4m h THR 57 Ca -0.44 -1.74 -0.03 0.00 0.77 0.00 0.00 66.41 64.97 1b4m h THR 57 Cb 1.22 1.72 0.01 0.00 -1.74 0.00 0.00 68.15 69.36 1b4m h THR 57 CO 0.55 0.54 -0.25 -0.26 0.37 0.00 0.00 175.52 176.48 1b4m h PHE 58 N 0.43 -0.64 -4.64 3.16 0.04 -1.94 -3.48 116.94 109.89 1b4m h PHE 58 Ca 0.02 -0.02 -0.37 0.00 2.80 0.00 0.00 57.97 60.40 1b4m h PHE 58 Cb 1.05 0.21 -0.14 0.00 2.20 0.00 0.00 35.95 39.27 1b4m h PHE 58 CO 0.04 -0.40 -0.55 1.03 -0.60 0.00 0.00 178.31 177.84 1b4m s ARG 59 N -3.96 1.52 -0.28 1.51 0.52 -1.23 -5.05 118.95 111.98 1b4m s ARG 59 Ca -0.10 -1.85 0.20 0.00 -0.52 0.00 0.00 55.73 53.46 1b4m s ARG 59 Cb 0.01 0.24 0.48 0.00 0.52 0.00 0.00 34.95 36.20 1b4m s ARG 59 CO 0.30 -0.52 1.24 0.09 0.02 0.00 0.00 175.30 176.43 1b4m n ASN 60 N -0.96 0.64 -3.72 0.23 4.13 -1.26 -1.32 115.26 112.99 1b4m n ASN 60 Ca 0.04 -2.08 -0.30 0.00 1.68 0.00 0.00 54.58 53.92 1b4m n ASN 60 Cb 0.64 -0.12 0.27 0.00 -1.54 0.00 0.00 39.78 39.03 1b4m n ASN 60 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 1b4m s TYR 61 N -2.57 0.03 -0.03 3.10 1.51 -1.26 -4.53 117.35 113.59 1b4m s TYR 61 Ca 0.22 0.64 -0.09 0.00 -1.01 0.00 0.00 57.07 56.83 1b4m s TYR 61 Cb 0.36 -3.09 0.01 0.00 -0.11 0.00 0.00 41.96 39.13 1b4m s TYR 61 CO -0.07 -4.48 0.20 0.16 -1.11 0.00 0.00 175.55 170.25 1b4m s ASP 62 N -3.28 -0.11 -0.49 2.29 -4.77 -1.26 -1.15 116.67 107.90 1b4m s ASP 62 Ca 0.69 0.09 -0.03 0.00 -3.30 0.00 0.00 52.55 50.01 1b4m s ASP 62 Cb -0.14 0.32 0.15 0.00 -1.09 0.00 0.00 42.92 42.16 1b4m s ASP 62 CO 0.58 -0.28 2.49 -0.11 0.70 0.00 0.00 175.17 178.56 1b4m n LEU 63 N 1.98 6.69 -4.56 2.11 7.94 0.24 -4.90 117.00 126.50 1b4m n LEU 63 Ca -0.19 -4.03 -0.22 0.00 -1.11 0.00 0.00 56.01 50.46 1b4m n LEU 63 Cb 0.57 -1.16 -0.06 0.00 0.53 0.00 0.00 43.42 43.30 1b4m n LEU 63 CO 0.20 1.62 1.48 1.51 -1.11 0.00 0.00 177.39 181.10 1b4m s ASP 64 N -0.00 4.15 0.42 1.96 -4.77 -1.26 -3.06 116.67 114.11 1b4m s ASP 64 Ca 0.53 0.34 0.00 0.00 -3.30 0.00 0.00 52.55 50.12 1b4m s ASP 64 Cb 0.37 -2.53 -0.00 0.00 -1.09 0.00 0.00 42.92 39.67 1b4m s ASP 64 CO -0.19 -3.49 0.01 0.49 0.70 0.00 0.00 175.17 172.69 1b4m n PHE 65 N 17.47 0.90 -3.56 2.11 3.01 -0.42 -5.01 117.46 131.96 1b4m n PHE 65 Ca 0.43 -2.12 -0.14 0.00 1.01 0.00 0.00 57.45 56.62 1b4m n PHE 65 Cb 0.47 -0.25 -0.06 0.00 -0.01 0.00 0.00 39.48 39.63 1b4m n PHE 65 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1b4m s THR 66 N -2.58 0.00 0.18 4.37 2.01 -1.25 -2.05 115.64 116.32 1b4m s THR 66 Ca 0.02 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 61.71 1b4m s THR 66 Cb 0.00 -1.00 -0.09 0.00 0.01 0.00 0.00 72.50 71.42 1b4m s THR 66 CO 0.01 0.00 1.35 0.54 -0.69 0.00 0.00 174.62 175.84 1b4m s VAL 67 N -0.98 3.15 -1.46 3.82 0.11 0.10 -2.99 120.40 122.15 1b4m s VAL 67 Ca -0.05 0.91 -0.12 0.00 -2.93 0.00 0.00 61.98 59.79 1b4m s VAL 67 Cb -0.01 -3.58 0.05 0.00 -1.53 0.00 0.00 36.38 31.31 1b4m s VAL 67 CO 0.05 0.12 1.08 0.61 -3.33 0.00 0.00 175.10 173.62 1b4m n GLY 68 N 2.68 -0.52 0.08 6.54 0.00 0.32 -4.84 105.19 109.45 1b4m n GLY 68 Ca 0.08 0.22 0.12 0.00 0.00 0.00 0.00 46.02 46.44 1b4m n GLY 68 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1b4m n VAL 69 N -4.84 0.44 -3.41 1.61 3.14 -1.16 -4.93 118.33 109.18 1b4m n VAL 69 Ca 0.03 -0.28 -0.17 0.00 -2.96 0.00 0.00 64.34 60.95 1b4m n VAL 69 Cb 0.54 -0.28 0.03 0.00 -1.06 0.00 0.00 33.84 33.07 1b4m n VAL 69 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 1b4m n GLU 70 N -2.18 -1.49 -1.68 1.45 2.13 -1.26 -4.80 120.64 112.81 1b4m n GLU 70 Ca 0.04 0.93 -0.44 0.00 0.66 0.00 0.00 57.16 58.36 1b4m n GLU 70 Cb 0.44 -4.70 -0.02 0.00 0.27 0.00 0.00 31.44 27.43 1b4m n GLU 70 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1b4m n PHE 71 N -2.95 2.14 -3.09 4.31 7.35 -0.80 -4.83 117.46 119.60 1b4m n PHE 71 Ca -0.09 0.52 -0.41 0.00 -0.76 0.00 0.00 57.45 56.70 1b4m n PHE 71 Cb 0.58 -2.42 -0.00 0.00 0.35 0.00 0.00 39.48 37.99 1b4m n PHE 71 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 1b4m n ASP 72 N 1.37 6.04 -4.65 -2.13 8.00 -1.26 -1.04 116.55 122.88 1b4m n ASP 72 Ca 0.08 -3.39 -0.47 0.00 0.71 0.00 0.00 54.79 51.72 1b4m n ASP 72 Cb 0.34 -1.21 -0.04 0.00 -0.02 0.00 0.00 41.12 40.19 1b4m n ASP 72 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1b4m n GLU 73 N 1.38 1.91 -2.57 -1.24 4.07 0.22 -4.85 120.64 119.56 1b4m n GLU 73 Ca 0.26 0.69 0.00 0.00 -0.06 0.00 0.00 57.16 58.05 1b4m n GLU 73 Cb 0.34 -2.41 0.05 0.00 -0.06 0.00 0.00 31.44 29.36 1b4m n GLU 73 CO 0.00 0.00 0.00 1.58 -0.06 0.00 0.00 177.13 178.65 1b4m n HIS 74 N 3.03 0.64 -0.93 4.31 -0.00 -1.26 0.05 115.22 121.06 1b4m n HIS 74 Ca 0.17 -1.79 -0.34 0.00 0.46 0.00 0.00 57.72 56.21 1b4m n HIS 74 Cb 0.27 0.01 0.04 0.00 -0.12 0.00 0.00 29.99 30.19 1b4m n HIS 74 CO 0.00 0.00 0.00 -2.37 0.46 0.00 0.00 176.34 174.43 1b4m n THR 75 N -0.53 0.00 0.00 3.57 5.66 -1.26 -4.85 114.28 116.87 1b4m n THR 75 Ca 0.03 -0.43 0.00 0.00 -3.05 0.00 0.00 64.05 60.60 1b4m n THR 75 Cb 0.86 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.64 1b4m n THR 75 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1b4m n LYS 76 N 2.33 0.00 0.00 1.09 2.85 -1.26 -3.66 118.16 119.51 1b4m n LYS 76 Ca -0.02 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.24 1b4m n LYS 76 Cb 0.53 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.91 1b4m n LYS 76 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1b4m n GLY 77 N -0.19 1.57 0.91 2.58 0.00 -1.26 -4.88 105.19 103.93 1b4m n GLY 77 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 1.06 0.03 0.99 7.94 -1.26 -5.04 117.00 120.72 1b4m n LEU 78 Ca 0.00 0.14 0.00 0.00 -1.11 0.00 0.00 56.01 55.04 1b4m n LEU 78 Cb 0.00 -0.35 0.00 0.00 0.53 0.00 0.00 43.42 43.60 1b4m n LEU 78 CO 0.00 -0.67 -0.26 -0.67 -1.11 0.00 0.00 177.39 174.69 1b4m n ASP 79 N -3.48 0.35 -1.60 1.96 2.03 -1.26 -4.33 116.55 110.23 1b4m n ASP 79 Ca -0.02 0.08 -0.01 0.00 0.52 0.00 0.00 54.79 55.37 1b4m n ASP 79 Cb 0.06 -0.08 0.00 0.00 -0.72 0.00 0.00 41.12 40.38 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 2.92 -0.70 0.00 0.27 0.00 -1.26 -4.97 105.19 101.45 1b4m n GLY 80 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.54 0.00 0.00 1.61 3.00 -1.24 -5.02 116.66 114.47 1b4m n ARG 81 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.86 1b4m n ARG 81 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.54 1b4m n ARG 81 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1b4m n ASN 82 N 0.00 0.00 -3.41 6.15 5.15 -1.26 -4.80 115.26 117.10 1b4m n ASN 82 Ca 0.00 0.00 -0.18 0.00 -0.60 0.00 0.00 54.58 53.80 1b4m n ASN 82 Cb 0.00 0.00 -0.07 0.00 -0.53 0.00 0.00 39.78 39.18 1b4m n ASN 82 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1b4m s VAL 83 N 0.00 0.00 -0.42 3.44 1.01 0.11 -4.83 120.40 119.70 1b4m s VAL 83 Ca 0.00 -1.90 0.04 0.00 0.00 0.00 0.00 61.98 60.12 1b4m s VAL 83 Cb 0.00 -2.53 0.11 0.00 0.00 0.00 0.00 36.38 33.96 1b4m s VAL 83 CO 0.00 0.00 0.15 -0.54 0.00 0.00 0.00 175.10 174.71 1b4m s LYS 84 N -3.42 1.71 -1.17 2.72 1.02 0.87 0.73 119.74 122.21 1b4m s LYS 84 Ca 0.38 -2.21 -0.13 0.00 0.02 0.00 0.00 55.97 54.03 1b4m s LYS 84 Cb 0.02 -3.27 0.19 0.00 -0.52 0.00 0.00 37.83 34.25 1b4m s LYS 84 CO 0.25 -1.02 1.35 0.99 -0.92 0.00 0.00 175.35 176.00 1b4m s THR 85 N 0.38 5.18 0.50 2.17 2.01 -0.20 0.61 115.64 126.29 1b4m s THR 85 Ca 0.14 -2.69 -0.21 0.00 0.31 0.00 0.00 61.69 59.23 1b4m s THR 85 Cb -0.22 -4.84 -0.07 0.00 0.01 0.00 0.00 72.50 67.38 1b4m s THR 85 CO -0.04 -1.53 1.14 -0.22 -0.69 0.00 0.00 174.62 173.28 1b4m s LEU 86 N 1.16 3.87 0.02 4.42 2.96 -0.89 -1.91 118.68 128.31 1b4m s LEU 86 Ca 0.40 2.23 0.04 0.00 -0.22 0.00 0.00 54.13 56.57 1b4m s LEU 86 Cb -0.04 -4.43 -0.02 0.00 0.50 0.00 0.00 46.19 42.20 1b4m s LEU 86 CO -0.02 -1.07 -0.12 -0.69 -1.32 0.00 0.00 176.35 173.13 1b4m s VAL 87 N -1.67 0.93 0.22 1.68 1.01 -1.26 -1.22 120.40 120.09 1b4m s VAL 87 Ca 0.68 -0.79 -0.22 0.00 0.00 0.00 0.00 61.98 61.66 1b4m s VAL 87 Cb -0.26 -0.84 0.06 0.00 0.00 0.00 0.00 36.38 35.34 1b4m s VAL 87 CO 0.30 0.05 0.92 0.28 0.00 0.00 0.00 175.10 176.65 1b4m s THR 88 N -0.67 0.00 0.09 3.92 -1.32 0.14 0.12 115.64 117.92 1b4m s THR 88 Ca 0.01 -0.75 -0.02 0.00 -1.21 0.00 0.00 61.69 59.72 1b4m s THR 88 Cb -0.07 -2.41 -0.05 0.00 -1.51 0.00 0.00 72.50 68.47 1b4m s THR 88 CO 0.01 0.00 0.27 0.26 -2.21 0.00 0.00 174.62 172.95 1b4m s TRP 89 N -2.89 3.50 -1.31 9.09 0.52 -1.26 -0.14 118.94 126.45 1b4m s TRP 89 Ca 0.15 0.36 0.23 0.00 0.02 0.00 0.00 56.10 56.86 1b4m s TRP 89 Cb -0.03 -1.85 0.11 0.00 -1.15 0.00 0.00 33.47 30.55 1b4m s TRP 89 CO 0.05 0.53 1.14 -1.91 0.02 0.00 0.00 176.95 176.79 1b4m n GLU 90 N 0.21 0.36 0.00 4.98 0.00 0.51 -4.78 120.64 121.92 1b4m n GLU 90 Ca -0.04 -0.27 0.00 0.00 0.00 0.00 0.00 57.16 56.85 1b4m n GLU 90 Cb 0.51 -1.49 0.00 0.00 0.00 0.00 0.00 31.44 30.46 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 1.46 2.01 2.70 8.31 0.00 -1.26 -4.86 105.19 113.54 1b4m n GLY 91 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.97 0.00 1.61 6.94 -1.26 -5.09 115.26 115.50 1b4m n ASN 92 Ca 0.00 -1.89 0.00 0.00 -0.02 0.00 0.00 54.58 52.67 1b4m n ASN 92 Cb 0.00 1.07 0.00 0.00 -2.36 0.00 0.00 39.78 38.49 1b4m n ASN 92 CO 0.00 0.00 0.00 1.07 -1.03 0.00 0.00 177.26 177.30 1b4m n THR 93 N 2.17 0.00 -2.65 5.53 5.66 -1.26 -4.87 114.28 118.87 1b4m n THR 93 Ca 0.09 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.67 1b4m n THR 93 Cb 0.65 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.40 1b4m n THR 93 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1b4m s LEU 94 N 0.00 3.60 -0.35 1.09 2.96 -1.26 0.19 118.68 124.92 1b4m s LEU 94 Ca 0.00 -0.05 -0.08 0.00 -0.22 0.00 0.00 54.13 53.78 1b4m s LEU 94 Cb 0.00 -3.04 0.03 0.00 0.50 0.00 0.00 46.19 43.68 1b4m s LEU 94 CO 0.00 -1.44 0.14 -0.69 -1.32 0.00 0.00 176.35 173.04 1b4m s VAL 95 N 4.75 4.11 0.03 1.68 1.01 0.80 -0.47 120.40 132.31 1b4m s VAL 95 Ca 0.39 -0.98 0.04 0.00 0.00 0.00 0.00 61.98 61.44 1b4m s VAL 95 Cb -0.09 -3.29 -0.02 0.00 0.00 0.00 0.00 36.38 32.98 1b4m s VAL 95 CO 0.23 -0.17 -0.13 0.00 0.00 0.00 0.00 175.10 175.03 1b4m s VAL 97 N -0.72 0.14 -0.89 0.00 1.01 -0.36 -4.34 120.40 115.24 1b4m s VAL 97 Ca 0.02 0.17 -0.22 0.00 0.00 0.00 0.00 61.98 61.95 1b4m s VAL 97 Cb -0.07 -0.42 0.08 0.00 0.00 0.00 0.00 36.38 35.97 1b4m s VAL 97 CO 0.01 0.13 1.23 -1.10 0.00 0.00 0.00 175.10 175.37 1b4m s GLN 98 N 2.06 3.45 -0.19 2.72 -0.21 -1.25 -2.10 119.66 124.15 1b4m s GLN 98 Ca 0.04 -1.18 -0.23 0.00 0.02 0.00 0.00 55.36 54.01 1b4m s GLN 98 Cb -0.13 -4.85 -0.02 0.00 1.00 0.00 0.00 33.01 29.01 1b4m s GLN 98 CO -0.05 -1.98 0.75 0.15 -2.12 0.00 0.00 175.29 172.04 1b4m s LYS 99 N 4.11 4.25 0.00 2.91 1.02 0.20 -4.13 119.74 128.10 1b4m s LYS 99 Ca 0.36 0.85 0.00 0.00 0.02 0.00 0.00 55.97 57.20 1b4m s LYS 99 Cb -0.06 -3.58 0.00 0.00 -0.52 0.00 0.00 37.83 33.67 1b4m s LYS 99 CO -0.03 -0.32 0.00 0.41 -0.92 0.00 0.00 175.35 174.49 1b4m n GLY 100 N 3.63 0.30 0.32 -3.33 0.00 -1.26 -0.09 105.19 104.76 1b4m n GLY 100 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1b4m n GLY 100 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1b4m n GLU 101 N -0.44 0.00 0.00 1.61 2.13 -1.26 -4.97 120.64 117.71 1b4m n GLU 101 Ca 0.00 0.00 0.11 0.00 0.66 0.00 0.00 57.16 57.93 1b4m n GLU 101 Cb 0.00 0.00 0.10 0.00 0.27 0.00 0.00 31.44 31.81 1b4m n GLU 101 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1b4m n LYS 102 N -1.24 0.15 -3.76 5.31 -0.00 -1.26 -4.96 118.16 112.41 1b4m n LYS 102 Ca 0.00 -0.11 -0.29 0.00 -0.00 0.00 0.00 58.31 57.91 1b4m n LYS 102 Cb 0.00 -1.50 -0.04 0.00 -0.00 0.00 0.00 35.03 33.50 1b4m n LYS 102 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1b4m s GLU 103 N -2.92 3.51 -0.39 -1.58 2.02 -1.26 -4.46 118.70 113.61 1b4m s GLU 103 Ca 0.11 -0.34 0.03 0.00 0.02 0.00 0.00 54.97 54.79 1b4m s GLU 103 Cb 0.17 -2.89 0.16 0.00 0.10 0.00 0.00 34.13 31.67 1b4m s GLU 103 CO 0.74 0.46 0.31 -0.80 0.02 0.00 0.00 175.26 176.00 1b4m s ASN 104 N -2.93 1.81 -0.02 -0.19 -0.87 -1.26 -4.23 114.94 107.25 1b4m s ASN 104 Ca 0.38 -2.73 0.09 0.00 -1.57 0.00 0.00 52.86 49.03 1b4m s ASN 104 Cb -0.12 -0.34 0.30 0.00 -0.02 0.00 0.00 41.25 41.08 1b4m s ASN 104 CO 0.28 -0.21 1.19 0.54 -2.57 0.00 0.00 177.10 176.33 1b4m n ARG 105 N 3.25 1.98 -1.56 -0.60 5.12 -1.25 -1.19 116.66 122.41 1b4m n ARG 105 Ca 0.24 -1.22 -0.45 0.00 -1.93 0.00 0.00 57.85 54.49 1b4m n ARG 105 Cb 0.45 -1.39 -0.04 0.00 -1.16 0.00 0.00 32.46 30.32 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 0.84 0.83 0.86 -0.13 0.00 -1.25 -4.52 105.19 101.82 1b4m n GLY 106 Ca 0.11 0.82 0.12 0.00 0.00 0.00 0.00 46.02 47.06 1b4m n GLY 106 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1b4m n TRP 107 N 11.51 0.27 -0.06 1.61 2.14 -1.21 -1.34 117.44 130.36 1b4m n TRP 107 Ca 0.34 -0.13 -0.02 0.00 2.07 0.00 0.00 57.50 59.75 1b4m n TRP 107 Cb 0.40 0.00 -0.00 0.00 -0.81 0.00 0.00 31.31 30.89 1b4m n TRP 107 CO 0.00 0.00 0.00 0.36 2.07 0.00 0.00 177.69 180.12 1b4m n LYS 108 N 0.97 0.00 -3.72 -2.67 2.85 -1.00 -3.05 118.16 111.54 1b4m n LYS 108 Ca 0.17 0.00 -0.21 0.00 -1.05 0.00 0.00 58.31 57.22 1b4m n LYS 108 Cb 0.49 -0.04 -0.04 0.00 -0.65 0.00 0.00 35.03 34.79 1b4m n LYS 108 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1b4m s GLN 109 N -0.04 2.56 -0.35 -1.58 -1.52 0.38 -2.42 119.66 116.69 1b4m s GLN 109 Ca 0.03 -1.48 0.04 0.00 -1.95 0.00 0.00 55.36 52.00 1b4m s GLN 109 Cb -0.04 -2.37 0.32 0.00 -0.22 0.00 0.00 33.01 30.70 1b4m s GLN 109 CO 0.03 -0.07 1.32 -2.67 -0.25 0.00 0.00 175.29 173.65 1b4m n TRP 110 N -1.44 -0.90 -0.19 0.91 2.14 -1.26 -4.02 117.44 112.68 1b4m n TRP 110 Ca 0.01 -0.97 -0.04 0.00 2.07 0.00 0.00 57.50 58.57 1b4m n TRP 110 Cb 0.61 1.25 -0.02 0.00 -0.81 0.00 0.00 31.31 32.33 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 0.66 0.00 0.31 -1.67 0.31 -1.26 -4.65 118.33 112.03 1b4m n VAL 111 Ca -0.03 -0.04 0.05 0.00 -0.01 0.00 0.00 64.34 64.31 1b4m n VAL 111 Cb 0.74 -0.03 0.19 0.00 -0.91 0.00 0.00 33.84 33.84 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 0.85 2.59 -0.08 5.55 1.02 -1.26 -4.96 120.64 124.35 1b4m n GLU 112 Ca 0.08 -1.53 0.00 0.00 -0.02 0.00 0.00 57.16 55.70 1b4m n GLU 112 Cb 0.01 -1.67 0.00 0.00 -0.02 0.00 0.00 31.44 29.76 1b4m n GLU 112 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1b4m n GLY 113 N 0.62 0.37 3.23 0.62 0.00 -1.26 -4.89 105.19 103.87 1b4m n GLY 113 Ca 0.14 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.03 -3.36 0.00 1.61 9.92 -1.26 -4.82 116.55 118.62 1b4m n ASP 114 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1b4m n ASP 114 Cb 0.00 -2.66 0.00 0.00 -0.64 0.00 0.00 41.12 37.82 1b4m n ASP 114 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 1b4m n LYS 115 N -0.57 0.00 -3.17 -1.24 2.85 -1.26 -1.84 118.16 112.93 1b4m n LYS 115 Ca 0.00 0.00 0.04 0.00 -1.05 0.00 0.00 58.31 57.30 1b4m n LYS 115 Cb 0.26 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.62 1b4m n LYS 115 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 1b4m s LEU 116 N 0.00 -1.19 -1.14 -5.58 0.20 -1.23 -4.23 118.68 105.50 1b4m s LEU 116 Ca 0.00 0.79 -0.24 0.00 0.69 0.00 0.00 54.13 55.37 1b4m s LEU 116 Cb 0.00 2.01 -0.14 0.00 -0.43 0.00 0.00 46.19 47.64 1b4m s LEU 116 CO 0.00 -0.22 2.00 -0.31 -0.29 0.00 0.00 176.35 177.53 1b4m s TYR 117 N 2.87 1.69 -0.43 5.38 1.51 -1.25 -4.25 117.35 122.88 1b4m s TYR 117 Ca 0.15 1.13 -0.27 0.00 -1.01 0.00 0.00 57.07 57.07 1b4m s TYR 117 Cb -0.14 -3.76 -0.03 0.00 -0.11 0.00 0.00 41.96 37.93 1b4m s TYR 117 CO -0.19 -1.02 1.92 -1.17 -1.11 0.00 0.00 175.55 173.98 1b4m s LEU 118 N 13.18 3.42 -0.28 -1.29 0.20 -1.26 -4.31 118.68 128.34 1b4m s LEU 118 Ca 0.73 1.02 -0.05 0.00 0.69 0.00 0.00 54.13 56.51 1b4m s LEU 118 Cb -0.02 -3.08 0.01 0.00 -0.43 0.00 0.00 46.19 42.66 1b4m s LEU 118 CO 0.15 -2.08 0.04 -0.70 -0.29 0.00 0.00 176.35 173.47 1b4m s GLU 119 N 6.46 3.10 -0.03 1.98 -6.30 -1.02 -2.45 118.70 120.46 1b4m s GLU 119 Ca 0.79 -0.83 0.07 0.00 -2.50 0.00 0.00 54.97 52.50 1b4m s GLU 119 Cb -0.19 -3.26 -0.02 0.00 0.00 0.00 0.00 34.13 30.66 1b4m s GLU 119 CO 0.29 -0.39 -0.23 -0.48 0.02 0.00 0.00 175.26 174.46 1b4m s LEU 120 N 1.47 2.04 0.30 2.70 0.05 -0.96 -2.39 118.68 121.90 1b4m s LEU 120 Ca 0.03 -0.44 0.08 0.00 0.05 0.00 0.00 54.13 53.86 1b4m s LEU 120 Cb -0.17 -1.22 -0.04 0.00 -2.05 0.00 0.00 46.19 42.71 1b4m s LEU 120 CO 0.01 0.27 0.12 -0.89 -0.55 0.00 0.00 176.35 175.30 1b4m s THR 121 N -0.43 3.45 -0.42 5.48 2.01 -0.45 0.95 115.64 126.22 1b4m s THR 121 Ca 0.06 -1.69 0.08 0.00 0.31 0.00 0.00 61.69 60.45 1b4m s THR 121 Cb -0.10 -3.02 0.36 0.00 0.01 0.00 0.00 72.50 69.75 1b4m s THR 121 CO 0.00 -0.27 1.23 0.00 -0.69 0.00 0.00 174.62 174.88 1b4m n GLY 123 N -0.14 2.56 2.00 0.00 0.00 -1.07 -4.23 105.19 104.33 1b4m n GLY 123 Ca 0.02 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1b4m n GLY 123 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1b4m n ASP 124 N 1.61 -0.13 -4.76 1.61 -0.08 -1.26 -4.72 116.55 108.82 1b4m n ASP 124 Ca 0.00 0.15 -0.37 0.00 -1.51 0.00 0.00 54.79 53.06 1b4m n ASP 124 Cb 0.00 0.20 0.01 0.00 2.34 0.00 0.00 41.12 43.68 1b4m n ASP 124 CO 0.00 0.00 0.00 -1.10 0.12 0.00 0.00 177.20 176.22 1b4m s GLN 125 N -2.00 3.35 -0.51 -0.67 1.11 -1.26 -4.98 119.66 114.70 1b4m s GLN 125 Ca 0.00 1.83 0.05 0.00 0.01 0.00 0.00 55.36 57.25 1b4m s GLN 125 Cb 0.00 -2.16 0.19 0.00 -1.01 0.00 0.00 33.01 30.03 1b4m s GLN 125 CO 0.00 -0.90 0.46 1.33 0.01 0.00 0.00 175.29 176.19 1b4m n VAL 126 N -1.06 0.00 -1.95 1.09 0.24 -1.26 0.05 118.33 115.43 1b4m n VAL 126 Ca 0.11 -4.10 -0.40 0.00 -2.04 0.00 0.00 64.34 57.91 1b4m n VAL 126 Cb 0.49 -1.90 0.00 0.00 -1.47 0.00 0.00 33.84 30.96 1b4m n VAL 126 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1b4m s ARG 128 N -2.34 1.90 0.38 0.00 6.06 -1.26 -2.26 118.95 121.44 1b4m s ARG 128 Ca 0.59 -0.74 0.07 0.00 -2.50 0.00 0.00 55.73 53.14 1b4m s ARG 128 Cb -0.40 -2.30 0.00 0.00 0.06 0.00 0.00 34.95 32.31 1b4m s ARG 128 CO 0.52 -0.41 0.53 -0.65 -2.50 0.00 0.00 175.30 172.78 1b4m s GLN 129 N 1.46 2.97 -0.05 5.12 -0.21 -1.02 -3.64 119.66 124.29 1b4m s GLN 129 Ca -0.00 -1.08 -0.01 0.00 0.02 0.00 0.00 55.36 54.28 1b4m s GLN 129 Cb -0.16 -2.77 -0.03 0.00 1.00 0.00 0.00 33.01 31.06 1b4m s GLN 129 CO -0.08 -0.12 -0.06 0.28 -2.12 0.00 0.00 175.29 173.19 1b4m n VAL 130 N -1.78 0.28 -1.01 1.09 0.31 -1.25 -4.34 118.33 111.64 1b4m n VAL 130 Ca 0.04 -0.09 0.13 0.00 -0.01 0.00 0.00 64.34 64.42 1b4m n VAL 130 Cb 0.59 -1.22 -0.04 0.00 -0.91 0.00 0.00 33.84 32.25 1b4m n VAL 130 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1b4m n PHE 131 N -3.00 -2.58 -3.58 3.52 3.01 -1.26 -3.55 117.46 110.01 1b4m n PHE 131 Ca -0.10 1.32 -0.03 0.00 1.01 0.00 0.00 57.45 59.66 1b4m n PHE 131 Cb 0.58 -2.35 -0.06 0.00 -0.01 0.00 0.00 39.48 37.65 1b4m n PHE 131 CO 0.00 0.00 0.00 -1.59 1.01 0.00 0.00 176.76 176.18 1b4m s LYS 132 N -2.40 0.49 0.12 -1.08 0.00 -1.26 -4.50 119.74 111.10 1b4m s LYS 132 Ca 0.00 1.23 -0.31 0.00 0.00 0.00 0.00 55.97 56.89 1b4m s LYS 132 Cb 0.00 0.60 -0.10 0.00 0.00 0.00 0.00 37.83 38.33 1b4m s LYS 132 CO 0.00 -0.29 1.77 0.21 0.00 0.00 0.00 175.35 177.04 1b4m s LYS 133 N 2.79 4.15 0.00 1.78 2.20 -0.77 -2.30 119.74 127.59 1b4m s LYS 133 Ca -0.01 2.53 0.00 0.00 -0.36 0.00 0.00 55.97 58.13 1b4m s LYS 133 Cb -0.13 -3.53 0.00 0.00 -1.51 0.00 0.00 37.83 32.67 1b4m s LYS 133 CO -0.17 -0.80 0.00 0.36 -0.36 0.00 0.00 175.35 174.38