#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 -3.95 2.03 -1.04 -1.26 -5.12 114.28 104.93 1b4m n THR 2 Ca 0.00 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.89 1b4m n THR 2 Cb 0.00 -0.05 -0.01 0.00 -1.82 0.00 0.00 70.33 68.46 1b4m n THR 2 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1b4m n LYS 3 N -2.84 0.89 -3.02 -2.82 0.00 -1.26 -4.54 118.16 104.57 1b4m n LYS 3 Ca 0.00 -2.60 -0.11 0.00 -0.00 0.00 0.00 58.31 55.60 1b4m n LYS 3 Cb 0.00 2.77 0.01 0.00 -0.00 0.00 0.00 35.03 37.81 1b4m n LYS 3 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1b4m n ASP 4 N -1.58 -7.49 -3.44 -5.58 9.92 -1.26 -5.00 116.55 102.13 1b4m n ASP 4 Ca -0.03 0.26 -0.21 0.00 -0.53 0.00 0.00 54.79 54.28 1b4m n ASP 4 Cb 0.60 -4.75 -0.11 0.00 -0.64 0.00 0.00 41.12 36.22 1b4m n ASP 4 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 1b4m s GLN 5 N -2.77 0.33 0.68 -1.24 -0.44 -1.26 -5.10 119.66 109.86 1b4m s GLN 5 Ca 0.21 -0.37 -0.16 0.00 -2.50 0.00 0.00 55.36 52.54 1b4m s GLN 5 Cb -0.05 -0.83 0.01 0.00 -1.64 0.00 0.00 33.01 30.50 1b4m s GLN 5 CO 0.79 -1.05 1.17 -0.80 0.50 0.00 0.00 175.29 175.89 1b4m s ASN 6 N 2.14 4.73 0.00 6.67 -0.87 -1.26 -4.98 114.94 121.36 1b4m s ASN 6 Ca 0.10 2.23 0.00 0.00 -1.57 0.00 0.00 52.86 53.62 1b4m s ASN 6 Cb -0.15 -2.58 0.00 0.00 -0.02 0.00 0.00 41.25 38.50 1b4m s ASN 6 CO -0.30 -1.90 0.00 0.61 -2.57 0.00 0.00 177.10 172.95 1b4m n GLY 7 N 0.08 -0.66 3.59 0.66 0.00 -1.23 -5.07 105.19 102.56 1b4m n GLY 7 Ca 0.12 -0.49 -0.12 0.00 0.00 0.00 0.00 46.02 45.54 1b4m n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1b4m s THR 8 N -4.00 -0.00 -0.14 2.61 -1.32 -1.26 -3.64 115.64 107.89 1b4m s THR 8 Ca 0.00 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.51 1b4m s THR 8 Cb 0.00 -0.94 0.01 0.00 -1.51 0.00 0.00 72.50 70.06 1b4m s THR 8 CO 0.00 0.00 -0.21 0.26 -2.21 0.00 0.00 174.62 172.47 1b4m s TRP 9 N 0.76 2.54 -0.48 9.09 0.52 -0.43 -0.91 118.94 130.03 1b4m s TRP 9 Ca -0.03 -1.28 -0.27 0.00 0.02 0.00 0.00 56.10 54.54 1b4m s TRP 9 Cb -0.05 -1.75 0.03 0.00 -1.15 0.00 0.00 33.47 30.55 1b4m s TRP 9 CO -0.05 -0.60 1.02 -1.21 0.02 0.00 0.00 176.95 176.13 1b4m s GLU 10 N 0.87 3.60 -1.12 4.98 2.02 0.66 -1.92 118.70 127.78 1b4m s GLU 10 Ca -0.06 0.30 -0.24 0.00 0.02 0.00 0.00 54.97 54.99 1b4m s GLU 10 Cb -0.15 -3.93 -0.11 0.00 0.10 0.00 0.00 34.13 30.04 1b4m s GLU 10 CO -0.02 -1.31 1.99 1.41 0.02 0.00 0.00 175.26 177.34 1b4m s MET 11 N 4.08 2.21 0.25 1.61 -2.45 -1.26 -2.74 119.30 121.00 1b4m s MET 11 Ca 0.41 -0.88 -0.04 0.00 -1.25 0.00 0.00 55.69 53.94 1b4m s MET 11 Cb -0.09 -5.16 0.50 0.00 1.25 0.00 0.00 34.83 31.34 1b4m s MET 11 CO 0.28 -4.24 1.36 -1.91 1.05 0.00 0.00 175.02 171.57 1b4m n GLU 12 N 8.34 -0.07 -3.53 4.11 2.13 -1.25 -4.62 120.64 125.75 1b4m n GLU 12 Ca 0.44 1.34 -0.12 0.00 0.66 0.00 0.00 57.16 59.48 1b4m n GLU 12 Cb 0.47 -2.05 -0.04 0.00 0.27 0.00 0.00 31.44 30.09 1b4m n GLU 12 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1b4m s SER 13 N -5.14 -0.44 -0.11 4.31 0.01 -1.24 -5.10 113.70 105.98 1b4m s SER 13 Ca -0.12 0.31 -0.03 0.00 1.31 0.00 0.00 55.95 57.42 1b4m s SER 13 Cb 0.24 0.40 -0.03 0.00 0.21 0.00 0.00 66.02 66.84 1b4m s SER 13 CO 0.68 -0.53 0.03 0.21 0.41 0.00 0.00 173.24 174.04 1b4m s ASN 14 N -1.67 5.43 -0.05 2.44 2.47 -1.26 -2.94 114.94 119.35 1b4m s ASN 14 Ca -0.01 0.16 -0.05 0.00 0.42 0.00 0.00 52.86 53.38 1b4m s ASN 14 Cb -0.01 -1.65 -0.03 0.00 -1.45 0.00 0.00 41.25 38.12 1b4m s ASN 14 CO -0.01 0.34 0.26 -0.08 -3.72 0.00 0.00 177.10 173.89 1b4m h GLU 15 N 5.45 -0.18 -4.29 0.43 4.81 -1.92 -3.47 114.58 115.40 1b4m h GLU 15 Ca -0.48 0.01 -0.34 0.00 -0.13 0.00 0.00 59.36 58.42 1b4m h GLU 15 Cb 1.19 0.04 -0.29 0.00 0.63 0.00 0.00 28.75 30.32 1b4m h GLU 15 CO 0.58 -0.12 -0.76 1.21 -0.73 0.00 0.00 179.01 179.19 1b4m s ASN 16 N -4.66 0.66 0.00 1.04 2.47 -1.26 -5.00 114.94 108.19 1b4m s ASN 16 Ca -0.03 -0.10 0.00 0.00 0.42 0.00 0.00 52.86 53.15 1b4m s ASN 16 Cb 0.00 -0.11 0.00 0.00 -1.45 0.00 0.00 41.25 39.69 1b4m s ASN 16 CO 0.08 0.05 0.00 2.22 -3.72 0.00 0.00 177.10 175.73 1b4m n PHE 17 N 3.09 0.00 0.08 0.43 1.16 -1.26 -4.66 117.46 116.29 1b4m n PHE 17 Ca -0.15 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.33 1b4m n PHE 17 Cb 0.57 0.02 -0.01 0.00 -1.61 0.00 0.00 39.48 38.45 1b4m n PHE 17 CO 0.00 0.00 0.00 1.49 -1.87 0.00 0.00 176.76 176.38 1b4m h GLU 18 N 0.00 0.29 0.00 3.97 4.22 -1.96 -2.92 114.58 118.18 1b4m h GLU 18 Ca 0.00 -0.30 -0.04 0.00 0.08 0.00 0.00 59.36 59.10 1b4m h GLU 18 Cb 0.82 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 1b4m h GLU 18 CO 0.00 1.00 -0.19 0.78 -2.18 0.00 0.00 179.01 178.42 1b4m h GLY 19 N 1.56 0.00 0.85 1.92 0.00 -1.97 -0.05 103.07 105.38 1b4m h GLY 19 Ca -0.05 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.05 1b4m h GLY 19 CO 0.14 0.00 -1.01 -1.82 0.00 0.00 0.00 176.54 173.85 1b4m h TYR 20 N 0.00 0.67 -0.77 5.60 3.20 -1.82 -2.20 116.97 121.66 1b4m h TYR 20 Ca -0.00 -0.49 0.08 0.00 3.14 0.00 0.00 58.73 61.46 1b4m h TYR 20 Cb 0.34 -0.03 -0.07 0.00 1.54 0.00 0.00 36.73 38.52 1b4m h TYR 20 CO 0.00 1.39 0.44 0.52 -1.64 0.00 0.00 178.16 178.86 1b4m h MET 21 N -0.22 0.73 0.00 1.82 2.86 -1.29 -1.04 114.93 117.80 1b4m h MET 21 Ca -0.18 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.41 1b4m h MET 21 Cb 1.80 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 33.29 1b4m h MET 21 CO 0.19 0.49 -0.03 1.57 1.06 0.00 0.00 176.91 180.18 1b4m h LYS 22 N 0.76 0.00 -0.50 1.72 5.09 -1.11 0.83 116.57 123.35 1b4m h LYS 22 Ca 0.37 0.00 -0.06 0.00 0.09 0.00 0.00 60.65 61.04 1b4m h LYS 22 Cb 0.30 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.61 1b4m h LYS 22 CO -0.23 0.03 0.06 0.00 -2.09 0.00 0.00 179.45 177.22 1b4m h ALA 23 N 1.97 0.67 0.00 0.07 0.00 -0.51 -2.02 119.26 119.43 1b4m h ALA 23 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1b4m h ALA 23 Cb 0.79 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1b4m h ALA 23 CO 0.00 0.42 -0.48 1.47 0.00 0.00 0.00 179.25 180.66 1b4m n LEU 24 N -4.39 0.49 -2.51 0.00 -0.00 -1.18 -4.84 117.00 104.57 1b4m n LEU 24 Ca 0.01 0.06 -0.01 0.00 -0.00 0.00 0.00 56.01 56.07 1b4m n LEU 24 Cb 0.27 -0.26 0.00 0.00 -0.00 0.00 0.00 43.42 43.43 1b4m n LEU 24 CO 0.41 0.09 0.18 0.47 -0.00 0.00 0.00 177.39 178.55 1b4m n ASP 25 N -1.58 -5.95 -0.99 1.45 8.00 -0.76 -4.97 116.55 111.75 1b4m n ASP 25 Ca 0.05 0.06 0.08 0.00 0.71 0.00 0.00 54.79 55.69 1b4m n ASP 25 Cb 0.35 -3.93 0.24 0.00 -0.02 0.00 0.00 41.12 37.76 1b4m n ASP 25 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1b4m n ILE 26 N -1.21 1.53 -1.52 0.53 0.13 0.29 -4.93 119.36 114.17 1b4m n ILE 26 Ca 0.02 -1.27 -0.39 0.00 -1.10 0.00 0.00 62.75 60.02 1b4m n ILE 26 Cb 0.45 0.22 -0.09 0.00 -0.84 0.00 0.00 39.64 39.38 1b4m n ILE 26 CO 0.00 0.00 0.00 -0.67 2.80 0.00 0.00 176.55 178.68 1b4m n ASP 27 N 0.50 1.36 -0.92 9.51 2.03 -1.26 -4.64 116.55 123.13 1b4m n ASP 27 Ca 0.18 -0.16 0.01 0.00 0.52 0.00 0.00 54.79 55.35 1b4m n ASP 27 Cb 0.67 -1.26 0.00 0.00 -0.72 0.00 0.00 41.12 39.81 1b4m n ASP 27 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1b4m n PHE 28 N 13.19 0.00 -3.46 -0.67 3.01 -1.26 -4.98 117.46 123.29 1b4m n PHE 28 Ca 0.51 -0.23 -0.18 0.00 1.01 0.00 0.00 57.45 58.56 1b4m n PHE 28 Cb 0.29 -0.00 0.08 0.00 -0.01 0.00 0.00 39.48 39.85 1b4m n PHE 28 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1b4m n ALA 29 N 0.19 -2.01 -0.07 4.37 0.00 -1.26 -4.91 120.51 116.81 1b4m n ALA 29 Ca -0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 53.44 53.34 1b4m n ALA 29 Cb 0.84 -2.41 -0.16 0.00 0.00 0.00 0.00 19.45 17.73 1b4m n ALA 29 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1b4m n THR 30 N -4.15 0.91 -0.50 0.00 5.66 -1.26 -4.98 114.28 109.96 1b4m n THR 30 Ca -0.29 -0.72 0.00 0.00 -3.05 0.00 0.00 64.05 59.99 1b4m n THR 30 Cb 0.67 -0.32 0.00 0.00 -1.55 0.00 0.00 70.33 69.13 1b4m n THR 30 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 1b4m n ARG 31 N -2.57 -0.10 0.00 1.09 3.00 -1.26 -4.59 116.66 112.22 1b4m n ARG 31 Ca -0.23 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.61 1b4m n ARG 31 Cb 0.95 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.41 1b4m n ARG 31 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1b4m n LYS 32 N -0.90 0.00 0.00 5.56 3.00 -1.26 -4.57 118.16 119.98 1b4m n LYS 32 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1b4m n LYS 32 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 35.03 34.93 1b4m n LYS 32 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 1b4m n ILE 33 N -0.39 0.35 -1.44 3.15 -6.64 -1.26 -4.76 119.36 108.37 1b4m n ILE 33 Ca 0.00 -0.39 -0.28 0.00 -1.77 0.00 0.00 62.75 60.31 1b4m n ILE 33 Cb 0.00 0.93 0.10 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 -0.17 5.78 -0.18 -1.28 0.00 -1.26 -4.59 120.51 118.80 1b4m n ALA 34 Ca 0.00 -3.39 -0.01 0.00 0.00 0.00 0.00 53.44 50.04 1b4m n ALA 34 Cb 0.34 -1.36 0.07 0.00 0.00 0.00 0.00 19.45 18.51 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 1.20 0.52 -3.66 0.00 2.07 -1.97 -3.41 116.25 110.99 1b4m h VAL 35 Ca 0.53 -0.03 -0.19 0.00 0.82 0.00 0.00 66.70 67.83 1b4m h VAL 35 Cb 1.41 0.42 -0.25 0.00 -1.52 0.00 0.00 31.29 31.36 1b4m h VAL 35 CO 1.24 0.02 -0.63 -0.60 0.02 0.00 0.00 177.57 177.62 1b4m s ARG 36 N -6.17 0.20 -0.76 1.57 6.06 -1.26 -4.82 118.95 113.77 1b4m s ARG 36 Ca -0.14 -0.16 -0.21 0.00 -2.50 0.00 0.00 55.73 52.73 1b4m s ARG 36 Cb 0.18 0.08 0.10 0.00 0.06 0.00 0.00 34.95 35.36 1b4m s ARG 36 CO 0.73 -0.04 1.01 -0.51 -2.50 0.00 0.00 175.30 174.00 1b4m s LEU 37 N -0.57 4.70 0.00 -0.88 1.02 -1.26 -4.86 118.68 116.83 1b4m s LEU 37 Ca -0.06 -1.43 0.00 0.00 0.02 0.00 0.00 54.13 52.66 1b4m s LEU 37 Cb -0.04 -2.40 0.00 0.00 0.02 0.00 0.00 46.19 43.77 1b4m s LEU 37 CO 0.00 -1.28 0.00 0.41 0.02 0.00 0.00 176.35 175.50 1b4m n THR 38 N 5.75 0.00 -3.26 5.49 -1.04 -1.26 -4.37 114.28 115.60 1b4m n THR 38 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 1b4m n THR 38 Cb 0.47 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.98 1b4m n THR 38 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1b4m n GLN 39 N 0.00 0.00 -1.32 -2.82 10.64 -1.26 -4.89 117.38 117.73 1b4m n GLN 39 Ca 0.00 0.00 -0.40 0.00 -1.83 0.00 0.00 57.00 54.77 1b4m n GLN 39 Cb 0.00 0.00 0.01 0.00 -0.86 0.00 0.00 30.24 29.39 1b4m n GLN 39 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 1b4m n THR 40 N 0.00 0.70 -4.14 -0.39 -1.04 -1.26 -4.07 114.28 104.07 1b4m n THR 40 Ca 0.00 -0.50 -0.30 0.00 -2.04 0.00 0.00 64.05 61.21 1b4m n THR 40 Cb 0.00 -0.17 -0.08 0.00 -1.82 0.00 0.00 70.33 68.25 1b4m n THR 40 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 1b4m s LYS 41 N -1.26 2.50 0.24 -2.82 2.36 -0.81 -0.76 119.74 119.20 1b4m s LYS 41 Ca 0.60 -0.86 0.06 0.00 -2.55 0.00 0.00 55.97 53.23 1b4m s LYS 41 Cb -0.52 -2.51 -0.05 0.00 -1.05 0.00 0.00 37.83 33.69 1b4m s LYS 41 CO 0.62 0.54 -0.08 0.42 1.55 0.00 0.00 175.35 178.40 1b4m s ILE 42 N -1.29 1.56 0.01 5.43 1.09 0.60 -1.31 121.20 127.29 1b4m s ILE 42 Ca 0.25 -2.14 0.03 0.00 -1.10 0.00 0.00 60.65 57.70 1b4m s ILE 42 Cb -0.12 -2.28 -0.01 0.00 -1.06 0.00 0.00 42.46 38.99 1b4m s ILE 42 CO 0.18 -0.42 -0.10 -0.51 -0.10 0.00 0.00 174.94 173.99 1b4m s ILE 43 N -3.07 0.79 -0.20 2.92 2.07 -1.24 0.11 121.20 122.57 1b4m s ILE 43 Ca 0.26 -0.66 -0.06 0.00 -1.41 0.00 0.00 60.65 58.79 1b4m s ILE 43 Cb 0.03 -0.71 0.10 0.00 0.13 0.00 0.00 42.46 42.01 1b4m s ILE 43 CO 0.09 0.05 0.40 -0.69 -1.91 0.00 0.00 174.94 172.89 1b4m s VAL 44 N -0.57 -0.63 -0.26 4.00 1.01 -1.15 -3.49 120.40 119.32 1b4m s VAL 44 Ca 0.01 0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.14 1b4m s VAL 44 Cb -0.06 -0.68 0.05 0.00 0.00 0.00 0.00 36.38 35.69 1b4m s VAL 44 CO 0.00 0.04 -0.10 -1.10 0.00 0.00 0.00 175.10 173.94 1b4m s GLN 45 N 2.59 2.41 -0.37 2.72 -0.21 -1.26 -0.38 119.66 125.16 1b4m s GLN 45 Ca 0.01 -1.24 0.08 0.00 0.02 0.00 0.00 55.36 54.22 1b4m s GLN 45 Cb -0.13 -2.92 0.72 0.00 1.00 0.00 0.00 33.01 31.69 1b4m s GLN 45 CO -0.13 -0.52 1.85 -3.47 -2.12 0.00 0.00 175.29 170.90 1b4m n ASP 46 N 4.51 4.42 0.00 5.90 2.03 -0.41 -4.91 116.55 128.08 1b4m n ASP 46 Ca -0.15 -3.38 0.00 0.00 0.52 0.00 0.00 54.79 51.78 1b4m n ASP 46 Cb 0.44 -0.78 0.00 0.00 -0.72 0.00 0.00 41.12 40.05 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 -0.54 0.55 0.29 0.27 0.00 -1.26 -4.53 105.19 99.96 1b4m n GLY 47 Ca 0.48 -1.24 0.13 0.00 0.00 0.00 0.00 46.02 45.39 1b4m n GLY 47 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1b4m h ASP 48 N 0.00 0.00 -3.51 1.61 3.58 -2.00 -3.37 116.42 112.73 1b4m h ASP 48 Ca 0.00 0.00 -0.72 0.00 0.42 0.00 0.00 57.03 56.73 1b4m h ASP 48 Cb 0.00 0.00 -0.22 0.00 1.72 0.00 0.00 39.33 40.83 1b4m h ASP 48 CO 0.00 0.00 -0.44 0.20 -2.88 0.00 0.00 179.24 176.12 1b4m s ASN 49 N -6.50 6.04 -0.29 2.28 -0.87 -1.26 -1.42 114.94 112.92 1b4m s ASN 49 Ca -0.05 -0.92 -0.03 0.00 -1.57 0.00 0.00 52.86 50.29 1b4m s ASN 49 Cb 0.16 -2.14 0.04 0.00 -0.02 0.00 0.00 41.25 39.29 1b4m s ASN 49 CO 0.60 -0.44 0.00 0.12 -2.57 0.00 0.00 177.10 174.81 1b4m s PHE 50 N 1.66 3.19 -0.31 2.20 5.36 -1.11 -1.29 117.98 127.68 1b4m s PHE 50 Ca 0.04 -1.64 0.02 0.00 -0.96 0.00 0.00 56.93 54.40 1b4m s PHE 50 Cb -0.19 -2.13 0.09 0.00 -0.34 0.00 0.00 43.02 40.45 1b4m s PHE 50 CO 0.09 -0.75 0.03 0.15 -1.46 0.00 0.00 175.22 173.28 1b4m s LYS 51 N 1.32 1.39 0.68 10.12 1.02 0.49 -3.44 119.74 131.31 1b4m s LYS 51 Ca -0.03 -1.53 -0.11 0.00 0.02 0.00 0.00 55.97 54.33 1b4m s LYS 51 Cb -0.19 -2.82 -0.01 0.00 -0.52 0.00 0.00 37.83 34.30 1b4m s LYS 51 CO -0.01 -0.87 1.05 0.99 -0.92 0.00 0.00 175.35 175.59 1b4m s THR 52 N 1.15 4.18 -0.18 2.17 2.01 0.26 -2.92 115.64 122.31 1b4m s THR 52 Ca 0.07 0.71 -0.29 0.00 0.31 0.00 0.00 61.69 62.49 1b4m s THR 52 Cb -0.19 -3.56 0.11 0.00 0.01 0.00 0.00 72.50 68.87 1b4m s THR 52 CO -0.11 -0.92 0.92 -1.59 -0.69 0.00 0.00 174.62 172.22 1b4m s LYS 53 N -5.13 0.68 0.31 4.92 -2.85 0.12 0.12 119.74 117.91 1b4m s LYS 53 Ca 0.57 0.36 0.09 0.00 -1.00 0.00 0.00 55.97 55.98 1b4m s LYS 53 Cb -0.13 0.32 -0.04 0.00 -2.06 0.00 0.00 37.83 35.93 1b4m s LYS 53 CO 0.54 -0.17 0.10 -0.08 0.10 0.00 0.00 175.35 175.83 1b4m s THR 54 N -0.65 3.29 -0.51 3.79 -1.32 -1.26 0.22 115.64 119.20 1b4m s THR 54 Ca -0.02 -1.75 0.14 0.00 -1.21 0.00 0.00 61.69 58.85 1b4m s THR 54 Cb -0.02 -2.97 -0.17 0.00 -1.51 0.00 0.00 72.50 67.84 1b4m s THR 54 CO 0.01 -0.26 0.53 -3.20 -2.21 0.00 0.00 174.62 169.49 1b4m n ASN 55 N -1.06 0.91 -0.86 8.08 2.85 0.06 -4.57 115.26 120.67 1b4m n ASN 55 Ca -0.05 -0.63 -0.12 0.00 -0.11 0.00 0.00 54.58 53.67 1b4m n ASN 55 Cb 0.60 1.16 -0.02 0.00 1.24 0.00 0.00 39.78 42.76 1b4m n ASN 55 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1b4m n SER 56 N -1.49 0.21 -0.19 1.20 3.41 -1.20 -4.75 113.62 110.81 1b4m n SER 56 Ca 0.01 0.21 0.26 0.00 -0.26 0.00 0.00 58.87 59.10 1b4m n SER 56 Cb 0.26 -0.16 0.67 0.00 -0.26 0.00 0.00 64.21 64.72 1b4m n SER 56 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1b4m h THR 57 N 0.89 0.58 0.00 6.66 1.03 -1.88 -2.85 112.91 117.34 1b4m h THR 57 Ca -0.08 -0.03 0.00 0.00 -0.01 0.00 0.00 66.41 66.29 1b4m h THR 57 Cb 0.25 0.47 0.00 0.00 -1.07 0.00 0.00 68.15 67.80 1b4m h THR 57 CO 0.17 0.02 0.00 0.49 -0.01 0.00 0.00 175.52 176.19 1b4m n PHE 58 N -4.34 0.00 -3.67 0.00 3.01 -1.26 -4.89 117.46 106.31 1b4m n PHE 58 Ca 0.19 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.56 1b4m n PHE 58 Cb 0.89 -0.33 -0.09 0.00 -0.01 0.00 0.00 39.48 39.94 1b4m n PHE 58 CO 0.00 0.00 0.00 -0.98 1.01 0.00 0.00 176.76 176.79 1b4m s ARG 59 N -2.31 0.55 -0.82 -1.08 1.70 -1.08 -5.04 118.95 110.88 1b4m s ARG 59 Ca 0.00 1.01 0.00 0.00 -0.47 0.00 0.00 55.73 56.27 1b4m s ARG 59 Cb 0.00 0.06 0.35 0.00 -0.57 0.00 0.00 34.95 34.79 1b4m s ARG 59 CO 0.00 -0.15 1.69 0.27 -1.08 0.00 0.00 175.30 176.02 1b4m n ASN 60 N 4.30 6.67 -4.03 -2.89 0.23 -1.26 -4.64 115.26 113.64 1b4m n ASN 60 Ca -0.22 -3.75 -0.40 0.00 -0.53 0.00 0.00 54.58 49.68 1b4m n ASN 60 Cb 0.57 -0.95 -0.03 0.00 -2.08 0.00 0.00 39.78 37.29 1b4m n ASN 60 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1b4m n TYR 61 N -0.33 3.08 -1.51 -2.53 9.36 -1.26 -4.75 117.16 119.23 1b4m n TYR 61 Ca 0.46 -2.29 -0.58 0.00 3.32 0.00 0.00 57.90 58.82 1b4m n TYR 61 Cb 0.32 -2.32 -0.09 0.00 -0.63 0.00 0.00 39.34 36.63 1b4m n TYR 61 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 1b4m n ASP 62 N 8.59 1.69 -4.55 2.98 5.68 -1.26 -4.84 116.55 124.85 1b4m n ASP 62 Ca 0.49 0.78 -0.23 0.00 -0.50 0.00 0.00 54.79 55.33 1b4m n ASP 62 Cb 0.42 -1.07 -0.08 0.00 -1.14 0.00 0.00 41.12 39.25 1b4m n ASP 62 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 1b4m n LEU 63 N 7.12 2.39 -4.14 -2.12 7.94 0.33 -4.89 117.00 123.63 1b4m n LEU 63 Ca 0.40 -2.89 -0.38 0.00 -1.11 0.00 0.00 56.01 52.03 1b4m n LEU 63 Cb 0.08 -1.72 -0.10 0.00 0.53 0.00 0.00 43.42 42.22 1b4m n LEU 63 CO 0.83 -2.53 -0.05 -1.81 -1.11 0.00 0.00 177.39 172.71 1b4m s ASP 64 N 7.26 5.41 0.26 1.96 1.11 -1.26 0.93 116.67 132.35 1b4m s ASP 64 Ca 0.73 -2.26 0.02 0.00 0.18 0.00 0.00 52.55 51.23 1b4m s ASP 64 Cb -0.02 -1.89 -0.01 0.00 1.07 0.00 0.00 42.92 42.07 1b4m s ASP 64 CO 0.16 -0.53 0.09 2.22 1.18 0.00 0.00 175.17 178.29 1b4m n PHE 65 N 4.33 0.12 -4.10 4.23 1.16 -1.22 -5.01 117.46 116.96 1b4m n PHE 65 Ca -0.00 -1.66 -0.10 0.00 -1.87 0.00 0.00 57.45 53.82 1b4m n PHE 65 Cb 0.40 -0.01 -0.11 0.00 -1.61 0.00 0.00 39.48 38.16 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 -2.50 0.47 0.58 1.97 2.01 -1.26 -2.77 115.64 114.14 1b4m s THR 66 Ca 0.13 -1.54 -0.19 0.00 0.31 0.00 0.00 61.69 60.39 1b4m s THR 66 Cb 0.01 -1.17 -0.04 0.00 0.01 0.00 0.00 72.50 71.31 1b4m s THR 66 CO 0.09 -0.72 1.23 -0.69 -0.69 0.00 0.00 174.62 173.84 1b4m s VAL 67 N -2.80 2.53 -0.23 3.82 1.01 -0.51 -3.68 120.40 120.54 1b4m s VAL 67 Ca 0.01 0.34 -0.03 0.00 0.00 0.00 0.00 61.98 62.31 1b4m s VAL 67 Cb -0.00 -3.15 0.03 0.00 0.00 0.00 0.00 36.38 33.26 1b4m s VAL 67 CO -0.04 -0.06 0.07 0.61 0.00 0.00 0.00 175.10 175.68 1b4m n GLY 68 N 0.58 -0.30 0.07 4.51 0.00 0.84 -4.66 105.19 106.22 1b4m n GLY 68 Ca 0.13 0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.27 1b4m n GLY 68 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1b4m n VAL 69 N -1.79 0.35 -2.22 1.61 0.31 -1.24 -4.99 118.33 110.35 1b4m n VAL 69 Ca 0.01 -0.35 -0.00 0.00 -0.01 0.00 0.00 64.34 63.99 1b4m n VAL 69 Cb 0.31 -0.07 -0.00 0.00 -0.91 0.00 0.00 33.84 33.16 1b4m n VAL 69 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1b4m n GLU 70 N -2.22 -2.18 -2.59 5.55 4.71 -1.26 -4.80 120.64 117.84 1b4m n GLU 70 Ca 0.02 1.93 -0.43 0.00 -0.01 0.00 0.00 57.16 58.67 1b4m n GLU 70 Cb 0.47 -3.63 -0.01 0.00 -1.01 0.00 0.00 31.44 27.27 1b4m n GLU 70 CO 0.00 0.00 0.00 0.12 0.09 0.00 0.00 177.13 177.34 1b4m s PHE 71 N -0.93 2.76 -0.83 -0.32 5.36 -1.20 -4.90 117.98 117.91 1b4m s PHE 71 Ca -0.02 -1.48 -0.25 0.00 -0.96 0.00 0.00 56.93 54.22 1b4m s PHE 71 Cb 0.00 -4.73 -0.16 0.00 -0.34 0.00 0.00 43.02 37.79 1b4m s PHE 71 CO 0.47 -1.82 2.36 -3.47 -1.46 0.00 0.00 175.22 171.30 1b4m n ASP 72 N 8.38 1.59 -1.43 6.13 -0.08 -1.26 -0.01 116.55 129.87 1b4m n ASP 72 Ca 0.45 -1.59 0.17 0.00 -1.51 0.00 0.00 54.79 52.31 1b4m n ASP 72 Cb 0.47 -1.63 -0.09 0.00 2.34 0.00 0.00 41.12 42.21 1b4m n ASP 72 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 1b4m n GLU 73 N 8.56 -3.28 0.00 -0.67 0.28 -0.86 -4.88 120.64 119.79 1b4m n GLU 73 Ca 0.47 2.65 0.00 0.00 -0.16 0.00 0.00 57.16 60.12 1b4m n GLU 73 Cb 0.42 -3.84 0.00 0.00 1.43 0.00 0.00 31.44 29.45 1b4m n GLU 73 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 1b4m n HIS 74 N -4.32 0.00 -3.70 -1.84 8.25 -1.26 -4.78 115.22 107.57 1b4m n HIS 74 Ca -0.09 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.08 1b4m n HIS 74 Cb 0.68 0.00 -0.14 0.00 1.12 0.00 0.00 29.99 31.64 1b4m n HIS 74 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1b4m s THR 75 N 0.00 0.90 -0.17 1.59 -4.23 -1.26 -4.93 115.64 107.54 1b4m s THR 75 Ca 0.00 -1.63 -0.08 0.00 -1.18 0.00 0.00 61.69 58.80 1b4m s THR 75 Cb 0.00 -1.67 0.07 0.00 1.34 0.00 0.00 72.50 72.24 1b4m s THR 75 CO 0.00 -0.74 0.39 -0.54 -0.54 0.00 0.00 174.62 173.18 1b4m s LYS 76 N 1.34 0.32 0.00 3.99 1.02 -1.26 -1.07 119.74 124.09 1b4m s LYS 76 Ca 0.12 0.88 0.00 0.00 0.02 0.00 0.00 55.97 56.99 1b4m s LYS 76 Cb -0.19 0.12 0.00 0.00 -0.52 0.00 0.00 37.83 37.24 1b4m s LYS 76 CO -0.19 -0.21 0.00 0.41 -0.92 0.00 0.00 175.35 174.44 1b4m n GLY 77 N 4.86 3.30 0.04 -3.33 0.00 -1.26 -4.82 105.19 103.98 1b4m n GLY 77 Ca -0.15 -1.09 0.07 0.00 0.00 0.00 0.00 46.02 44.85 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 0.79 0.14 0.99 7.94 -1.26 -4.90 117.00 120.71 1b4m n LEU 78 Ca 0.00 -0.53 0.00 0.00 -1.11 0.00 0.00 56.01 54.37 1b4m n LEU 78 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 1b4m n LEU 78 CO 0.00 0.19 0.00 0.47 -1.11 0.00 0.00 177.39 176.94 1b4m n ASP 79 N -1.22 -1.57 -0.85 1.96 9.92 -1.26 -4.75 116.55 118.78 1b4m n ASP 79 Ca 0.03 0.52 0.00 0.00 -0.53 0.00 0.00 54.79 54.81 1b4m n ASP 79 Cb 0.24 1.61 0.00 0.00 -0.64 0.00 0.00 41.12 42.33 1b4m n ASP 79 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1b4m n GLY 80 N 0.12 0.56 0.00 0.44 0.00 -1.02 -4.98 105.19 100.30 1b4m n GLY 80 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.85 3.60 -3.33 1.61 0.63 -0.23 -4.99 116.66 113.10 1b4m n ARG 81 Ca 0.00 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.85 1b4m n ARG 81 Cb 0.38 0.00 -0.07 0.00 0.45 0.00 0.00 32.46 33.22 1b4m n ARG 81 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1b4m s ASN 82 N 1.00 0.13 -0.03 6.15 2.20 -1.26 -4.08 114.94 119.05 1b4m s ASN 82 Ca 0.00 0.25 -0.01 0.00 -0.94 0.00 0.00 52.86 52.16 1b4m s ASN 82 Cb 0.00 1.19 0.03 0.00 -2.00 0.00 0.00 41.25 40.47 1b4m s ASN 82 CO 0.00 -0.30 0.05 -0.69 -2.94 0.00 0.00 177.10 173.22 1b4m s VAL 83 N 2.57 -0.07 -0.84 3.54 1.01 -1.26 -4.66 120.40 120.68 1b4m s VAL 83 Ca 0.13 0.26 -0.26 0.00 0.00 0.00 0.00 61.98 62.11 1b4m s VAL 83 Cb -0.15 -0.12 -0.16 0.00 0.00 0.00 0.00 36.38 35.95 1b4m s VAL 83 CO -0.17 0.11 2.36 0.29 0.00 0.00 0.00 175.10 177.69 1b4m n LYS 84 N 4.44 0.47 -1.99 2.72 5.02 0.21 -2.02 118.16 127.01 1b4m n LYS 84 Ca -0.22 -1.00 -0.42 0.00 -2.02 0.00 0.00 58.31 54.66 1b4m n LYS 84 Cb 0.50 -3.72 -0.00 0.00 -0.02 0.00 0.00 35.03 31.79 1b4m n LYS 84 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1b4m n THR 85 N 8.84 4.25 -1.71 -0.18 -1.04 0.98 0.09 114.28 125.50 1b4m n THR 85 Ca 0.46 -3.79 -0.38 0.00 -2.04 0.00 0.00 64.05 58.29 1b4m n THR 85 Cb 0.43 -2.41 0.05 0.00 -1.82 0.00 0.00 70.33 66.58 1b4m n THR 85 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1b4m n LEU 86 N 4.08 5.11 -4.01 -4.42 0.00 -1.26 -3.26 117.00 113.25 1b4m n LEU 86 Ca 0.51 0.94 -0.23 0.00 0.00 0.00 0.00 56.01 57.24 1b4m n LEU 86 Cb 0.34 -1.53 -0.16 0.00 0.00 0.00 0.00 43.42 42.06 1b4m n LEU 86 CO 0.82 -0.88 -0.45 -0.69 0.00 0.00 0.00 177.39 176.20 1b4m s VAL 87 N -1.33 0.95 0.00 1.96 1.01 -1.26 -3.26 120.40 118.47 1b4m s VAL 87 Ca 0.73 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.30 1b4m s VAL 87 Cb -0.42 -0.87 0.00 0.00 0.00 0.00 0.00 36.38 35.09 1b4m s VAL 87 CO 0.48 0.30 0.00 0.41 0.00 0.00 0.00 175.10 176.30 1b4m n THR 88 N 3.61 0.00 -3.68 3.92 -1.04 0.12 -0.11 114.28 117.09 1b4m n THR 88 Ca -0.21 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.66 1b4m n THR 88 Cb 0.52 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.95 1b4m n THR 88 CO 0.00 0.00 0.00 0.26 -0.64 0.00 0.00 175.07 174.69 1b4m s TRP 89 N -0.58 -0.50 0.00 -1.42 0.23 -1.24 -3.72 118.94 111.71 1b4m s TRP 89 Ca 0.00 1.12 0.00 0.00 -2.03 0.00 0.00 56.10 55.19 1b4m s TRP 89 Cb 0.00 0.21 0.00 0.00 0.03 0.00 0.00 33.47 33.71 1b4m s TRP 89 CO 0.00 -0.35 0.00 -1.91 0.96 0.00 0.00 176.95 175.65 1b4m n GLU 90 N 2.21 3.64 0.11 4.98 0.00 1.37 -4.78 120.64 128.16 1b4m n GLU 90 Ca -0.16 0.00 -0.04 0.00 0.00 0.00 0.00 57.16 56.96 1b4m n GLU 90 Cb 0.56 0.00 0.08 0.00 0.00 0.00 0.00 31.44 32.08 1b4m n GLU 90 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 1b4m h GLY 91 N 0.00 0.08 -5.00 8.31 0.00 -2.02 -3.38 103.07 101.05 1b4m h GLY 91 Ca 0.00 -0.12 -0.18 0.00 0.00 0.00 0.00 47.33 47.03 1b4m h GLY 91 CO 0.00 0.11 -0.37 1.16 0.00 0.00 0.00 176.54 177.44 1b4m n ASN 92 N -3.71 -2.47 0.00 0.19 6.94 -1.26 -4.87 115.26 110.08 1b4m n ASN 92 Ca -0.02 -2.94 0.00 0.00 -0.02 0.00 0.00 54.58 51.60 1b4m n ASN 92 Cb 0.71 1.57 0.00 0.00 -2.36 0.00 0.00 39.78 39.69 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 1.53 0.00 0.10 5.53 5.66 -1.26 -4.24 114.28 121.60 1b4m n THR 93 Ca 0.07 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.07 1b4m n THR 93 Cb 0.65 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.43 1b4m n THR 93 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1b4m n LEU 94 N 0.00 0.00 0.00 1.09 -0.00 -1.26 0.41 117.00 117.25 1b4m n LEU 94 Ca 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1b4m n LEU 94 Cb 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1b4m n LEU 94 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 177.39 177.91 1b4m n VAL 95 N -0.42 0.00 -4.37 1.47 0.31 -1.24 -1.68 118.33 112.40 1b4m n VAL 95 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.14 1b4m n VAL 95 Cb 0.00 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 32.79 1b4m n VAL 95 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1b4m s VAL 97 N -0.26 0.92 -0.83 0.00 1.01 -1.20 -4.35 120.40 115.68 1b4m s VAL 97 Ca 0.03 -2.97 -0.22 0.00 0.00 0.00 0.00 61.98 58.83 1b4m s VAL 97 Cb -0.04 -1.63 -0.20 0.00 0.00 0.00 0.00 36.38 34.51 1b4m s VAL 97 CO -0.00 -1.17 2.39 0.00 0.00 0.00 0.00 175.10 176.32 1b4m n GLN 98 N 2.72 0.38 -2.95 2.72 6.02 -1.25 -4.31 117.38 120.70 1b4m n GLN 98 Ca 0.26 -0.27 -0.43 0.00 -0.01 0.00 0.00 57.00 56.55 1b4m n GLN 98 Cb 0.44 -2.43 -0.05 0.00 1.02 0.00 0.00 30.24 29.22 1b4m n GLN 98 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1b4m s LYS 99 N 8.24 3.29 0.00 -1.09 -0.14 0.11 -3.52 119.74 126.63 1b4m s LYS 99 Ca 1.14 -0.40 0.00 0.00 -1.36 0.00 0.00 55.97 55.35 1b4m s LYS 99 Cb -0.57 -4.04 0.00 0.00 -1.68 0.00 0.00 37.83 31.55 1b4m s LYS 99 CO 0.34 -1.33 0.00 0.41 -0.76 0.00 0.00 175.35 174.01 1b4m n GLY 100 N 5.10 -0.14 0.38 -3.33 0.00 -1.25 0.66 105.19 106.60 1b4m n GLY 100 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.82 0.00 -0.09 1.61 2.13 -1.26 -4.93 120.64 117.28 1b4m n GLU 101 Ca 0.00 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.67 1b4m n GLU 101 Cb 0.00 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.62 1b4m n GLU 101 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 1b4m h LYS 102 N 0.00 0.00 -6.17 5.31 3.11 -1.98 -3.49 116.57 113.35 1b4m h LYS 102 Ca 0.00 0.00 -0.50 0.00 -2.81 0.00 0.00 60.65 57.34 1b4m h LYS 102 Cb 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.20 1b4m h LYS 102 CO 0.00 0.74 -0.48 -1.83 -2.81 0.00 0.00 179.45 175.07 1b4m s GLU 103 N -2.25 3.24 -0.66 1.90 -1.05 -1.26 -4.75 118.70 113.85 1b4m s GLU 103 Ca -0.22 -0.83 0.02 0.00 -0.15 0.00 0.00 54.97 53.79 1b4m s GLU 103 Cb 0.03 -2.78 0.16 0.00 -0.44 0.00 0.00 34.13 31.10 1b4m s GLU 103 CO 0.50 0.44 0.46 -0.80 0.95 0.00 0.00 175.26 176.80 1b4m s ASN 104 N -3.74 4.92 0.00 0.83 0.01 -1.26 -3.91 114.94 111.79 1b4m s ASN 104 Ca 0.33 -3.40 0.08 0.00 -0.71 0.00 0.00 52.86 49.16 1b4m s ASN 104 Cb -0.09 -1.72 0.47 0.00 0.41 0.00 0.00 41.25 40.32 1b4m s ASN 104 CO 0.27 -0.19 1.27 0.54 -1.51 0.00 0.00 177.10 177.48 1b4m n ARG 105 N 2.64 0.96 -1.60 -0.60 5.12 -1.23 -1.76 116.66 120.19 1b4m n ARG 105 Ca 0.13 0.00 -0.50 0.00 -1.93 0.00 0.00 57.85 55.56 1b4m n ARG 105 Cb 0.35 -1.13 -0.05 0.00 -1.16 0.00 0.00 32.46 30.47 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 0.58 0.46 0.19 -0.13 0.00 -1.25 -4.59 105.19 100.44 1b4m n GLY 106 Ca 0.06 0.63 0.02 0.00 0.00 0.00 0.00 46.02 46.73 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 2.31 0.12 -0.57 1.61 2.14 -1.26 0.33 117.44 122.12 1b4m n TRP 107 Ca 0.17 -0.44 -0.19 0.00 2.07 0.00 0.00 57.50 59.11 1b4m n TRP 107 Cb 0.23 -0.04 -0.01 0.00 -0.81 0.00 0.00 31.31 30.68 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 -0.14 0.00 -4.43 -2.67 2.85 -1.25 -3.99 118.16 108.53 1b4m n LYS 108 Ca 0.03 0.00 -0.26 0.00 -1.05 0.00 0.00 58.31 57.03 1b4m n LYS 108 Cb 0.28 -0.42 -0.13 0.00 -0.65 0.00 0.00 35.03 34.10 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 -0.42 1.30 -0.41 -1.58 -1.52 -1.26 -2.12 119.66 113.65 1b4m s GLN 109 Ca 0.26 -1.17 0.04 0.00 -1.95 0.00 0.00 55.36 52.54 1b4m s GLN 109 Cb -0.34 -1.60 0.16 0.00 -0.22 0.00 0.00 33.01 31.01 1b4m s GLN 109 CO 0.25 0.38 0.39 1.67 -0.25 0.00 0.00 175.29 177.74 1b4m s TRP 110 N -1.04 0.18 -0.11 0.91 -2.14 -1.15 -4.18 118.94 111.41 1b4m s TRP 110 Ca 0.09 -1.49 -0.05 0.00 2.66 0.00 0.00 56.10 57.31 1b4m s TRP 110 Cb -0.10 -0.56 -0.03 0.00 -3.10 0.00 0.00 33.47 29.68 1b4m s TRP 110 CO 0.04 -0.94 0.34 0.28 -2.66 0.00 0.00 176.95 174.01 1b4m n VAL 111 N 3.46 0.00 -4.12 -0.66 0.31 -1.26 -4.47 118.33 111.58 1b4m n VAL 111 Ca 0.20 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.40 1b4m n VAL 111 Cb 0.47 -0.07 -0.11 0.00 -0.91 0.00 0.00 33.84 33.22 1b4m n VAL 111 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1b4m s GLU 112 N 1.07 0.70 1.35 5.55 0.41 -1.04 -4.99 118.70 121.75 1b4m s GLU 112 Ca 0.18 -1.01 0.00 0.00 -0.41 0.00 0.00 54.97 53.73 1b4m s GLU 112 Cb -0.19 -0.37 0.00 0.00 -1.78 0.00 0.00 34.13 31.80 1b4m s GLU 112 CO 0.08 0.05 0.00 0.41 -0.49 0.00 0.00 175.26 175.31 1b4m n GLY 113 N 0.86 0.37 1.58 -1.39 0.00 -1.26 -1.00 105.19 104.35 1b4m n GLY 113 Ca -0.18 0.49 -0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 3.14 0.27 -0.92 1.61 9.92 -1.26 -5.11 116.55 124.19 1b4m n ASP 114 Ca 0.00 -2.02 0.00 0.00 -0.53 0.00 0.00 54.79 52.24 1b4m n ASP 114 Cb 0.00 -0.06 0.00 0.00 -0.64 0.00 0.00 41.12 40.42 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 0.07 0.00 -3.73 -1.24 2.85 -0.17 -3.22 118.16 112.72 1b4m n LYS 115 Ca -0.06 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 56.91 1b4m n LYS 115 Cb 0.95 0.00 -0.13 0.00 -0.65 0.00 0.00 35.03 35.20 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 2.96 -0.90 -5.58 2.96 -1.26 -2.51 118.68 114.36 1b4m s LEU 116 Ca 0.00 -2.83 -0.25 0.00 -0.22 0.00 0.00 54.13 50.83 1b4m s LEU 116 Cb 0.00 -1.10 -0.21 0.00 0.50 0.00 0.00 46.19 45.37 1b4m s LEU 116 CO 0.00 -0.24 2.51 -1.22 -1.32 0.00 0.00 176.35 176.09 1b4m n TYR 117 N 3.28 0.63 -2.61 5.38 4.01 -1.26 -4.70 117.16 121.90 1b4m n TYR 117 Ca 0.11 0.22 -0.43 0.00 -0.16 0.00 0.00 57.90 57.65 1b4m n TYR 117 Cb 0.35 -2.03 -0.02 0.00 -0.31 0.00 0.00 39.34 37.33 1b4m n TYR 117 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1b4m s LEU 118 N 8.02 4.14 -0.44 7.72 1.98 -1.26 -2.92 118.68 135.91 1b4m s LEU 118 Ca 1.26 1.47 0.03 0.00 -2.89 0.00 0.00 54.13 53.99 1b4m s LEU 118 Cb -0.90 -3.54 0.15 0.00 0.66 0.00 0.00 46.19 42.56 1b4m s LEU 118 CO 0.44 -0.67 0.30 -1.61 -1.89 0.00 0.00 176.35 172.92 1b4m s GLU 119 N 3.13 1.14 0.05 1.98 2.02 -0.90 -2.09 118.70 124.03 1b4m s GLU 119 Ca 0.47 -2.04 -0.03 0.00 0.02 0.00 0.00 54.97 53.39 1b4m s GLU 119 Cb -0.17 -1.94 -0.05 0.00 0.10 0.00 0.00 34.13 32.08 1b4m s GLU 119 CO 0.09 -1.26 0.25 -0.48 0.02 0.00 0.00 175.26 173.89 1b4m s LEU 120 N 0.21 4.34 0.27 1.80 0.05 -1.17 -3.94 118.68 120.25 1b4m s LEU 120 Ca 0.23 0.42 0.08 0.00 0.05 0.00 0.00 54.13 54.92 1b4m s LEU 120 Cb -0.13 -2.90 -0.04 0.00 -2.05 0.00 0.00 46.19 41.07 1b4m s LEU 120 CO -0.08 0.18 0.09 -0.89 -0.55 0.00 0.00 176.35 175.10 1b4m s THR 121 N -1.46 3.78 -0.38 5.48 2.01 0.15 0.48 115.64 125.70 1b4m s THR 121 Ca 0.33 -1.70 0.10 0.00 0.31 0.00 0.00 61.69 60.74 1b4m s THR 121 Cb -0.13 -3.07 0.40 0.00 0.01 0.00 0.00 72.50 69.71 1b4m s THR 121 CO 0.23 -0.35 1.41 0.00 -0.69 0.00 0.00 174.62 175.22 1b4m n GLY 123 N -0.86 0.89 0.07 0.00 0.00 -1.23 -3.95 105.19 100.10 1b4m n GLY 123 Ca -0.07 -0.73 -0.07 0.00 0.00 0.00 0.00 46.02 45.15 1b4m n GLY 123 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1b4m h ASP 124 N 0.00 0.00 -2.16 1.61 3.32 -1.89 -3.44 116.42 113.86 1b4m h ASP 124 Ca 0.00 0.00 -0.48 0.00 0.02 0.00 0.00 57.03 56.57 1b4m h ASP 124 Cb 0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 1b4m h ASP 124 CO 0.00 0.96 -0.47 -1.10 -1.72 0.00 0.00 179.24 176.91 1b4m s GLN 125 N -2.69 3.14 -0.28 3.56 -1.52 -1.25 -5.09 119.66 115.52 1b4m s GLN 125 Ca -0.01 -0.94 -0.03 0.00 -1.95 0.00 0.00 55.36 52.43 1b4m s GLN 125 Cb 0.09 -2.71 0.10 0.00 -0.22 0.00 0.00 33.01 30.28 1b4m s GLN 125 CO 0.82 0.39 0.16 0.54 -0.25 0.00 0.00 175.29 176.94 1b4m s VAL 126 N -2.08 -0.14 0.43 1.09 0.11 -1.26 0.37 120.40 118.92 1b4m s VAL 126 Ca 0.34 -0.64 -0.21 0.00 -2.93 0.00 0.00 61.98 58.54 1b4m s VAL 126 Cb -0.08 -0.94 -0.11 0.00 -1.53 0.00 0.00 36.38 33.72 1b4m s VAL 126 CO 0.27 -0.63 0.96 0.00 -3.33 0.00 0.00 175.10 172.37 1b4m n ARG 128 N -0.60 0.39 -0.46 0.00 0.63 -1.26 -3.02 116.66 112.34 1b4m n ARG 128 Ca 0.07 -3.15 -0.30 0.00 -0.92 0.00 0.00 57.85 53.55 1b4m n ARG 128 Cb 0.54 -1.49 0.28 0.00 0.45 0.00 0.00 32.46 32.23 1b4m n ARG 128 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 1b4m s GLN 129 N -0.38 -2.33 -0.40 -0.14 -1.52 -0.89 -4.38 119.66 109.62 1b4m s GLN 129 Ca 0.34 0.31 0.04 0.00 -1.95 0.00 0.00 55.36 54.10 1b4m s GLN 129 Cb 0.09 -1.43 0.16 0.00 -0.22 0.00 0.00 33.01 31.61 1b4m s GLN 129 CO -0.16 -4.52 0.44 0.08 -0.25 0.00 0.00 175.29 170.88 1b4m s VAL 130 N -2.36 -0.39 1.07 1.09 1.01 -1.15 -4.54 120.40 115.13 1b4m s VAL 130 Ca 0.69 -1.12 -0.18 0.00 0.00 0.00 0.00 61.98 61.37 1b4m s VAL 130 Cb -0.16 -0.59 0.26 0.00 0.00 0.00 0.00 36.38 35.89 1b4m s VAL 130 CO 0.60 -0.54 0.98 0.49 0.00 0.00 0.00 175.10 176.63 1b4m n PHE 131 N 3.90 -3.81 -3.43 5.22 3.01 -1.26 -3.72 117.46 117.37 1b4m n PHE 131 Ca 0.15 -0.89 0.01 0.00 1.01 0.00 0.00 57.45 57.73 1b4m n PHE 131 Cb 0.48 -1.00 -0.03 0.00 -0.01 0.00 0.00 39.48 38.92 1b4m n PHE 131 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1b4m s LYS 132 N -5.22 0.46 0.00 -1.08 2.47 -1.11 -4.69 119.74 110.57 1b4m s LYS 132 Ca 0.63 1.06 0.00 0.00 -1.56 0.00 0.00 55.97 56.10 1b4m s LYS 132 Cb -0.06 0.63 0.00 0.00 -1.46 0.00 0.00 37.83 36.94 1b4m s LYS 132 CO 0.48 -0.26 0.40 0.36 0.16 0.00 0.00 175.35 176.49 1b4m n LYS 133 N 5.32 0.00 -0.90 4.03 0.00 -1.20 0.24 118.16 125.65 1b4m n LYS 133 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.23 1b4m n LYS 133 Cb 0.51 -1.31 0.00 0.00 -0.00 0.00 0.00 35.03 34.23 1b4m n LYS 133 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76