#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 -4.16 1.12 -1.04 -1.26 -5.04 114.28 103.90 1b4m n THR 2 Ca 0.00 0.00 -0.11 0.00 -2.04 0.00 0.00 64.05 61.90 1b4m n THR 2 Cb 0.00 -0.34 -0.04 0.00 -1.82 0.00 0.00 70.33 68.13 1b4m n THR 2 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1b4m n LYS 3 N -2.95 0.23 0.00 -2.82 5.02 -1.26 -4.08 118.16 112.31 1b4m n LYS 3 Ca 0.00 -1.88 0.00 0.00 -2.02 0.00 0.00 58.31 54.41 1b4m n LYS 3 Cb 0.00 1.55 0.00 0.00 -0.02 0.00 0.00 35.03 36.56 1b4m n LYS 3 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1b4m n ASP 4 N -2.26 0.00 -3.64 4.39 -0.08 -1.26 -5.01 116.55 108.70 1b4m n ASP 4 Ca 0.04 0.00 -0.05 0.00 -1.51 0.00 0.00 54.79 53.27 1b4m n ASP 4 Cb 0.34 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.73 1b4m n ASP 4 CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 1b4m s GLN 5 N 0.00 0.35 -0.04 -0.67 2.00 -1.26 -5.13 119.66 114.91 1b4m s GLN 5 Ca 0.00 0.48 -0.36 0.00 -2.00 0.00 0.00 55.36 53.48 1b4m s GLN 5 Cb 0.00 0.13 -0.15 0.00 0.80 0.00 0.00 33.01 33.80 1b4m s GLN 5 CO 0.00 -0.05 1.64 0.09 -0.50 0.00 0.00 175.29 176.47 1b4m n ASN 6 N 2.67 2.62 -2.16 6.67 4.13 -1.26 -4.93 115.26 123.00 1b4m n ASN 6 Ca -0.14 1.06 0.01 0.00 1.68 0.00 0.00 54.58 57.19 1b4m n ASN 6 Cb 0.57 -1.27 0.00 0.00 -1.54 0.00 0.00 39.78 37.54 1b4m n ASN 6 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1b4m n GLY 7 N 3.65 0.39 3.00 7.41 0.00 -0.89 -5.05 105.19 113.71 1b4m n GLY 7 Ca 0.21 -0.90 -0.27 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.06 1.29 -0.54 2.61 2.01 -1.26 -1.32 115.64 116.36 1b4m s THR 8 Ca 0.12 -0.50 0.02 0.00 0.31 0.00 0.00 61.69 61.64 1b4m s THR 8 Cb -0.00 -1.21 0.14 0.00 0.01 0.00 0.00 72.50 71.43 1b4m s THR 8 CO -0.01 0.40 0.30 0.26 -0.69 0.00 0.00 174.62 174.89 1b4m s TRP 9 N 1.17 3.26 -0.55 4.92 0.52 0.17 -0.94 118.94 127.49 1b4m s TRP 9 Ca -0.04 -3.05 -0.27 0.00 0.02 0.00 0.00 56.10 52.76 1b4m s TRP 9 Cb -0.14 -2.92 -0.09 0.00 -1.15 0.00 0.00 33.47 29.17 1b4m s TRP 9 CO -0.03 -0.77 2.45 0.39 0.02 0.00 0.00 176.95 179.01 1b4m n GLU 10 N 3.23 0.93 -0.27 4.98 1.02 -1.23 -2.20 120.64 127.09 1b4m n GLU 10 Ca 0.06 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.15 1b4m n GLU 10 Cb 0.34 -3.22 -0.04 0.00 -0.02 0.00 0.00 31.44 28.50 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 8.94 -0.25 0.00 3.49 1.56 -1.26 -4.06 117.12 125.54 1b4m n MET 11 Ca 0.40 1.02 0.00 0.00 -0.27 0.00 0.00 57.70 58.85 1b4m n MET 11 Cb 0.48 -1.50 0.00 0.00 2.15 0.00 0.00 33.22 34.36 1b4m n MET 11 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 1b4m n GLU 12 N -4.89 0.00 -3.89 2.12 0.00 -1.26 -3.31 120.64 109.41 1b4m n GLU 12 Ca 0.03 0.00 0.02 0.00 0.00 0.00 0.00 57.16 57.21 1b4m n GLU 12 Cb 0.21 -0.09 0.01 0.00 0.00 0.00 0.00 31.44 31.57 1b4m n GLU 12 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 1b4m s SER 13 N 0.25 -0.01 0.21 4.31 1.04 -1.26 -5.06 113.70 113.17 1b4m s SER 13 Ca 0.00 -0.23 -0.07 0.00 0.48 0.00 0.00 55.95 56.13 1b4m s SER 13 Cb 0.00 0.18 -0.02 0.00 0.10 0.00 0.00 66.02 66.28 1b4m s SER 13 CO 0.00 -0.35 0.29 0.54 0.98 0.00 0.00 173.24 174.70 1b4m s ASN 14 N -3.58 0.04 0.00 7.02 2.20 -1.26 -3.88 114.94 115.48 1b4m s ASN 14 Ca 0.25 -1.10 0.00 0.00 -0.94 0.00 0.00 52.86 51.07 1b4m s ASN 14 Cb 0.01 0.47 0.00 0.00 -2.00 0.00 0.00 41.25 39.72 1b4m s ASN 14 CO -0.01 -0.96 0.00 -0.62 -2.94 0.00 0.00 177.10 172.57 1b4m n GLU 15 N -0.29 0.00 -2.75 3.55 -0.58 -1.26 -4.88 120.64 114.43 1b4m n GLU 15 Ca -0.02 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.30 1b4m n GLU 15 Cb 0.64 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 31.49 1b4m n GLU 15 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1b4m s ASN 16 N -0.78 6.68 0.11 1.62 4.22 -1.26 -4.79 114.94 120.75 1b4m s ASN 16 Ca 0.00 -2.04 -0.24 0.00 -2.14 0.00 0.00 52.86 48.44 1b4m s ASN 16 Cb 0.00 -2.49 -0.07 0.00 1.28 0.00 0.00 41.25 39.97 1b4m s ASN 16 CO 0.00 -1.19 1.68 0.15 -2.04 0.00 0.00 177.10 175.70 1b4m h PHE 17 N 8.73 -0.38 0.16 1.54 3.04 -1.96 -3.17 116.94 124.90 1b4m h PHE 17 Ca 0.24 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.19 1b4m h PHE 17 Cb 0.97 0.17 0.00 0.00 2.56 0.00 0.00 35.95 39.65 1b4m h PHE 17 CO 1.24 -0.22 -0.08 0.93 -2.02 0.00 0.00 178.31 178.16 1b4m h GLU 18 N -0.25 -0.21 -0.11 1.11 3.07 -2.00 -3.06 114.58 113.12 1b4m h GLU 18 Ca 0.05 0.01 0.03 0.00 -0.50 0.00 0.00 59.36 58.95 1b4m h GLU 18 Cb 0.31 0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.26 1b4m h GLU 18 CO -0.14 -0.06 0.37 0.78 -1.40 0.00 0.00 179.01 178.57 1b4m h GLY 19 N -0.32 0.00 0.68 -3.84 0.00 -1.94 0.82 103.07 98.47 1b4m h GLY 19 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.21 1b4m h GLY 19 CO 0.04 0.00 -0.35 -1.82 0.00 0.00 0.00 176.54 174.40 1b4m h TYR 20 N 0.00 0.47 0.00 5.60 3.20 -1.51 0.91 116.97 125.63 1b4m h TYR 20 Ca 0.05 -0.21 -0.07 0.00 3.14 0.00 0.00 58.73 61.65 1b4m h TYR 20 Cb 0.80 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 1b4m h TYR 20 CO 0.00 0.97 -0.32 0.52 -1.64 0.00 0.00 178.16 177.69 1b4m h MET 21 N -0.17 0.00 0.10 1.82 2.86 -0.71 -2.81 114.93 116.02 1b4m h MET 21 Ca -0.03 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.35 1b4m h MET 21 Cb 1.02 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.68 1b4m h MET 21 CO 0.07 0.32 -1.17 -0.22 1.06 0.00 0.00 176.91 176.97 1b4m h LYS 22 N 0.00 0.22 -0.36 1.72 3.64 0.62 -2.00 116.57 120.40 1b4m h LYS 22 Ca -0.00 -0.36 -0.12 0.00 -1.27 0.00 0.00 60.65 58.90 1b4m h LYS 22 Cb 0.83 0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.77 1b4m h LYS 22 CO 0.04 1.17 -0.22 0.00 -2.27 0.00 0.00 179.45 178.16 1b4m h ALA 23 N 0.68 0.52 -0.00 5.00 0.00 0.10 -2.70 119.26 122.86 1b4m h ALA 23 Ca -0.10 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1b4m h ALA 23 Cb 1.90 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.57 1b4m h ALA 23 CO 0.19 0.49 -0.15 1.47 0.00 0.00 0.00 179.25 181.25 1b4m n LEU 24 N -4.25 0.33 -3.00 0.00 -0.00 -1.08 -4.84 117.00 104.17 1b4m n LEU 24 Ca -0.02 0.15 -0.01 0.00 -0.00 0.00 0.00 56.01 56.13 1b4m n LEU 24 Cb 0.44 -0.28 -0.01 0.00 -0.00 0.00 0.00 43.42 43.57 1b4m n LEU 24 CO 0.45 0.07 -0.40 0.47 -0.00 0.00 0.00 177.39 177.98 1b4m n ASP 25 N -1.22 -6.40 -1.26 1.45 8.00 -1.02 -4.90 116.55 111.21 1b4m n ASP 25 Ca 0.11 0.86 -0.05 0.00 0.71 0.00 0.00 54.79 56.42 1b4m n ASP 25 Cb 0.30 -2.76 0.21 0.00 -0.02 0.00 0.00 41.12 38.85 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 1.54 2.60 -2.06 0.53 3.06 -0.77 -4.86 119.36 119.39 1b4m n ILE 26 Ca -0.05 -2.54 -0.02 0.00 -2.50 0.00 0.00 62.75 57.64 1b4m n ILE 26 Cb 0.30 -0.33 0.01 0.00 0.54 0.00 0.00 39.64 40.16 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 -1.04 -2.24 -1.52 9.51 8.00 -1.26 -4.47 116.55 123.53 1b4m n ASP 27 Ca 0.35 -0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.75 1b4m n ASP 27 Cb 1.10 -1.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.00 1b4m n ASP 27 CO 0.00 0.00 0.00 2.22 -0.39 0.00 0.00 177.20 179.03 1b4m n PHE 28 N -1.56 0.00 -3.62 1.24 1.16 -1.26 -4.80 117.46 108.62 1b4m n PHE 28 Ca -0.03 0.00 -0.02 0.00 -1.87 0.00 0.00 57.45 55.53 1b4m n PHE 28 Cb 0.52 0.00 0.01 0.00 -1.61 0.00 0.00 39.48 38.40 1b4m n PHE 28 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1b4m n ALA 29 N -0.30 -1.28 0.00 1.98 0.00 -1.26 -4.99 120.51 114.66 1b4m n ALA 29 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1b4m n ALA 29 Cb 0.00 0.33 0.00 0.00 0.00 0.00 0.00 19.45 19.78 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 -0.35 0.00 -1.00 0.00 -1.04 -1.26 -4.95 114.28 105.68 1b4m n THR 30 Ca -0.02 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.95 1b4m n THR 30 Cb 0.30 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 68.84 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 -1.90 -0.46 -1.25 -2.82 0.00 -1.26 -4.56 116.66 104.41 1b4m n ARG 31 Ca 0.00 -0.28 -0.04 0.00 -0.00 0.00 0.00 57.85 57.52 1b4m n ARG 31 Cb 0.00 -0.21 -0.02 0.00 -0.00 0.00 0.00 32.46 32.24 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 -1.54 -0.32 0.00 2.89 3.00 -1.26 -4.68 118.16 116.25 1b4m n LYS 32 Ca 0.02 0.60 0.00 0.00 -0.00 0.00 0.00 58.31 58.94 1b4m n LYS 32 Cb 0.08 -4.30 0.00 0.00 0.00 0.00 0.00 35.03 30.81 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 -3.01 0.00 0.53 3.15 -5.35 -1.26 -4.93 119.36 108.48 1b4m n ILE 33 Ca -0.05 0.00 0.11 0.00 -0.27 0.00 0.00 62.75 62.54 1b4m n ILE 33 Cb 0.20 0.00 0.44 0.00 -1.74 0.00 0.00 39.64 38.54 1b4m n ILE 33 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1b4m n ALA 34 N -1.04 1.84 0.00 -1.28 0.00 -1.26 -4.25 120.51 114.52 1b4m n ALA 34 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1b4m n ALA 34 Cb 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.08 1b4m n ALA 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1b4m n VAL 35 N -1.96 0.00 -3.64 0.00 0.31 -1.26 -4.34 118.33 107.43 1b4m n VAL 35 Ca 0.04 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.33 1b4m n VAL 35 Cb 0.26 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.13 1b4m n VAL 35 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1b4m s ARG 36 N -3.63 0.10 -0.25 5.55 6.06 -1.26 -4.93 118.95 120.58 1b4m s ARG 36 Ca 0.00 0.07 -0.29 0.00 -2.50 0.00 0.00 55.73 53.02 1b4m s ARG 36 Cb 0.00 0.05 0.17 0.00 0.06 0.00 0.00 34.95 35.23 1b4m s ARG 36 CO 0.00 -0.02 1.26 -0.48 -2.50 0.00 0.00 175.30 173.55 1b4m s LEU 37 N -0.44 -0.15 0.00 -0.88 0.05 -1.26 -5.04 118.68 110.96 1b4m s LEU 37 Ca 0.07 0.19 0.00 0.00 0.05 0.00 0.00 54.13 54.45 1b4m s LEU 37 Cb -0.03 1.34 0.00 0.00 -2.05 0.00 0.00 46.19 45.45 1b4m s LEU 37 CO -0.11 -0.12 0.00 0.41 -0.55 0.00 0.00 176.35 175.98 1b4m n THR 38 N 0.83 0.00 -2.46 5.48 -1.04 -1.26 -4.76 114.28 111.07 1b4m n THR 38 Ca -0.05 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.55 1b4m n THR 38 Cb 0.58 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 69.05 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 -0.46 4.59 -0.17 -2.82 2.00 -1.26 -4.43 119.66 117.12 1b4m s GLN 39 Ca 0.00 1.80 -0.07 0.00 -2.00 0.00 0.00 55.36 55.09 1b4m s GLN 39 Cb 0.00 -3.22 0.07 0.00 0.80 0.00 0.00 33.01 30.66 1b4m s GLN 39 CO 0.00 0.11 0.38 0.99 -0.50 0.00 0.00 175.29 176.27 1b4m s THR 40 N -0.71 -0.34 0.21 -0.34 2.01 -1.26 -4.21 115.64 110.99 1b4m s THR 40 Ca 0.47 0.16 0.08 0.00 0.31 0.00 0.00 61.69 62.71 1b4m s THR 40 Cb -0.32 -0.59 -0.04 0.00 0.01 0.00 0.00 72.50 71.57 1b4m s THR 40 CO 0.39 0.07 0.05 -0.75 -0.69 0.00 0.00 174.62 173.68 1b4m s LYS 41 N 2.05 2.52 0.07 4.92 2.36 -0.94 -1.70 119.74 129.03 1b4m s LYS 41 Ca -0.05 -1.15 -0.12 0.00 -2.55 0.00 0.00 55.97 52.11 1b4m s LYS 41 Cb -0.11 -2.37 0.01 0.00 -1.05 0.00 0.00 37.83 34.31 1b4m s LYS 41 CO -0.12 0.43 0.27 0.42 1.55 0.00 0.00 175.35 177.90 1b4m s ILE 42 N -1.94 0.11 -0.04 5.43 1.01 0.62 0.42 121.20 126.81 1b4m s ILE 42 Ca 0.30 -0.87 -0.02 0.00 0.00 0.00 0.00 60.65 60.06 1b4m s ILE 42 Cb -0.08 -1.13 0.02 0.00 0.01 0.00 0.00 42.46 41.28 1b4m s ILE 42 CO 0.20 -0.48 0.08 -0.51 0.00 0.00 0.00 174.94 174.24 1b4m s ILE 43 N -3.27 -0.02 -0.01 2.92 2.07 -0.44 0.59 121.20 123.05 1b4m s ILE 43 Ca 0.00 0.08 0.00 0.00 -1.41 0.00 0.00 60.65 59.33 1b4m s ILE 43 Cb 0.02 -0.14 -0.01 0.00 0.13 0.00 0.00 42.46 42.46 1b4m s ILE 43 CO -0.08 0.03 -0.00 0.52 -1.91 0.00 0.00 174.94 173.51 1b4m n VAL 44 N 3.53 0.05 -2.46 4.00 0.31 -1.26 -2.09 118.33 120.41 1b4m n VAL 44 Ca -0.19 -0.03 -0.05 0.00 -0.01 0.00 0.00 64.34 64.07 1b4m n VAL 44 Cb 0.56 -0.86 0.00 0.00 -0.91 0.00 0.00 33.84 32.63 1b4m n VAL 44 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1b4m n GLN 45 N -2.16 -0.28 0.26 5.55 10.64 -1.26 -4.77 117.38 125.36 1b4m n GLN 45 Ca -0.01 0.15 0.17 0.00 -1.83 0.00 0.00 57.00 55.48 1b4m n GLN 45 Cb 0.52 -0.37 0.74 0.00 -0.86 0.00 0.00 30.24 30.27 1b4m n GLN 45 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.06 175.45 1b4m h ASP 46 N 0.69 0.00 0.00 2.61 3.58 -1.90 -3.48 116.42 117.92 1b4m h ASP 46 Ca -0.11 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.34 1b4m h ASP 46 Cb 0.24 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.29 1b4m h ASP 46 CO 0.06 0.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.03 1b4m n GLY 47 N -0.23 -0.59 0.10 -0.78 0.00 -1.26 -4.90 105.19 97.52 1b4m n GLY 47 Ca 0.00 0.23 -0.02 0.00 0.00 0.00 0.00 46.02 46.23 1b4m n GLY 47 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1b4m h ASP 48 N 0.00 0.00 -2.96 1.61 2.03 -1.95 -3.41 116.42 111.74 1b4m h ASP 48 Ca 0.00 0.00 -0.72 0.00 -0.73 0.00 0.00 57.03 55.58 1b4m h ASP 48 Cb 0.00 0.00 -0.21 0.00 -0.83 0.00 0.00 39.33 38.29 1b4m h ASP 48 CO 0.00 0.74 0.08 0.20 -1.03 0.00 0.00 179.24 179.24 1b4m s ASN 49 N -6.44 6.22 -0.48 4.15 0.01 -1.26 0.26 114.94 117.40 1b4m s ASN 49 Ca 0.01 -1.57 -0.15 0.00 -0.71 0.00 0.00 52.86 50.44 1b4m s ASN 49 Cb 0.09 -2.29 0.08 0.00 0.41 0.00 0.00 41.25 39.55 1b4m s ASN 49 CO 0.79 -1.05 0.41 0.12 -1.51 0.00 0.00 177.10 175.86 1b4m s PHE 50 N 2.39 3.25 -0.58 2.20 5.36 -0.63 -2.53 117.98 127.45 1b4m s PHE 50 Ca 0.11 -1.03 0.04 0.00 -0.96 0.00 0.00 56.93 55.09 1b4m s PHE 50 Cb -0.24 -3.28 0.16 0.00 -0.34 0.00 0.00 43.02 39.32 1b4m s PHE 50 CO 0.04 -0.84 0.39 0.15 -1.46 0.00 0.00 175.22 173.50 1b4m s LYS 51 N 1.62 1.89 0.60 10.12 1.02 -1.26 -1.38 119.74 132.35 1b4m s LYS 51 Ca 0.04 -2.78 -0.18 0.00 0.02 0.00 0.00 55.97 53.07 1b4m s LYS 51 Cb -0.25 -2.82 -0.03 0.00 -0.52 0.00 0.00 37.83 34.21 1b4m s LYS 51 CO 0.06 -1.26 1.15 0.99 -0.92 0.00 0.00 175.35 175.36 1b4m s THR 52 N -0.70 2.99 0.15 2.17 2.01 0.39 -4.03 115.64 118.62 1b4m s THR 52 Ca 0.24 0.56 -0.06 0.00 0.31 0.00 0.00 61.69 62.74 1b4m s THR 52 Cb -0.09 -3.15 -0.02 0.00 0.01 0.00 0.00 72.50 69.25 1b4m s THR 52 CO -0.12 -0.19 0.20 -0.75 -0.69 0.00 0.00 174.62 173.07 1b4m s LYS 53 N -3.59 1.08 -0.03 4.92 2.20 0.20 0.12 119.74 124.65 1b4m s LYS 53 Ca 0.72 -1.28 0.03 0.00 -0.36 0.00 0.00 55.97 55.09 1b4m s LYS 53 Cb -0.25 0.33 -0.00 0.00 -1.51 0.00 0.00 37.83 36.40 1b4m s LYS 53 CO 0.34 -0.37 -0.13 -0.08 -0.36 0.00 0.00 175.35 174.76 1b4m s THR 54 N -4.00 1.04 -0.46 3.43 -1.32 -1.26 0.23 115.64 113.29 1b4m s THR 54 Ca 0.20 -0.52 0.05 0.00 -1.21 0.00 0.00 61.69 60.21 1b4m s THR 54 Cb 0.05 -0.89 0.41 0.00 -1.51 0.00 0.00 72.50 70.55 1b4m s THR 54 CO 0.01 0.31 1.11 -3.20 -2.21 0.00 0.00 174.62 170.63 1b4m n ASN 55 N 3.08 4.73 -4.53 8.08 2.85 -0.69 -4.64 115.26 124.13 1b4m n ASN 55 Ca -0.17 -3.72 -0.41 0.00 -0.11 0.00 0.00 54.58 50.18 1b4m n ASN 55 Cb 0.54 -0.48 -0.10 0.00 1.24 0.00 0.00 39.78 40.98 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 -3.50 6.13 0.29 1.20 0.01 -1.25 -4.63 113.70 111.95 1b4m s SER 56 Ca 0.48 -0.34 0.03 0.00 1.31 0.00 0.00 55.95 57.43 1b4m s SER 56 Cb 0.39 -2.17 0.74 0.00 0.21 0.00 0.00 66.02 65.18 1b4m s SER 56 CO -0.19 -0.30 1.64 0.71 0.41 0.00 0.00 173.24 175.51 1b4m h THR 57 N 5.53 0.29 0.00 1.44 1.35 -1.87 -1.31 112.91 118.34 1b4m h THR 57 Ca -0.30 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 1b4m h THR 57 Cb 1.15 0.08 0.00 0.00 -1.73 0.00 0.00 68.15 67.65 1b4m h THR 57 CO 0.67 0.04 0.00 0.49 -0.25 0.00 0.00 175.52 176.47 1b4m n PHE 58 N -5.23 0.00 -4.64 4.73 3.72 -1.26 -4.66 117.46 110.12 1b4m n PHE 58 Ca 0.22 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.38 1b4m n PHE 58 Cb 0.71 -0.42 -0.16 0.00 -0.94 0.00 0.00 39.48 38.67 1b4m n PHE 58 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1b4m s ARG 59 N -2.69 1.57 -0.43 -1.08 1.81 -0.49 -5.06 118.95 112.58 1b4m s ARG 59 Ca 0.00 -0.46 0.03 0.00 -1.72 0.00 0.00 55.73 53.58 1b4m s ARG 59 Cb 0.00 -1.35 0.16 0.00 -0.45 0.00 0.00 34.95 33.31 1b4m s ARG 59 CO 0.00 0.13 0.32 -0.80 -0.68 0.00 0.00 175.30 174.26 1b4m s ASN 60 N 0.32 2.43 -0.23 0.23 0.01 -1.23 -3.84 114.94 112.63 1b4m s ASN 60 Ca -0.08 -2.90 0.06 0.00 -0.71 0.00 0.00 52.86 49.22 1b4m s ASN 60 Cb -0.13 -0.64 -0.20 0.00 0.41 0.00 0.00 41.25 40.70 1b4m s ASN 60 CO 0.02 -0.20 -0.11 0.00 -1.51 0.00 0.00 177.10 175.30 1b4m n TYR 61 N 3.10 0.08 -1.15 2.20 9.36 -1.26 -5.05 117.16 124.45 1b4m n TYR 61 Ca 0.22 0.02 0.03 0.00 3.32 0.00 0.00 57.90 61.49 1b4m n TYR 61 Cb 0.42 -1.01 -0.01 0.00 -0.63 0.00 0.00 39.34 38.11 1b4m n TYR 61 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 1b4m n ASP 62 N -3.14 -6.18 -4.13 2.98 8.00 -1.26 -4.83 116.55 107.99 1b4m n ASP 62 Ca -0.42 1.33 -0.44 0.00 0.71 0.00 0.00 54.79 55.98 1b4m n ASP 62 Cb 1.04 -3.54 0.01 0.00 -0.02 0.00 0.00 41.12 38.60 1b4m n ASP 62 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1b4m n LEU 63 N -2.61 6.09 -4.18 0.64 7.94 0.12 -4.98 117.00 120.02 1b4m n LEU 63 Ca -0.01 -5.11 -0.39 0.00 -1.11 0.00 0.00 56.01 49.38 1b4m n LEU 63 Cb 0.39 -1.36 -0.10 0.00 0.53 0.00 0.00 43.42 42.88 1b4m n LEU 63 CO 0.01 1.54 -0.07 -1.81 -1.11 0.00 0.00 177.39 175.94 1b4m s ASP 64 N -0.47 5.56 0.24 1.96 1.11 -1.25 0.15 116.67 123.97 1b4m s ASP 64 Ca 0.32 -1.93 0.01 0.00 0.18 0.00 0.00 52.55 51.13 1b4m s ASP 64 Cb -0.00 -1.95 -0.01 0.00 1.07 0.00 0.00 42.92 42.03 1b4m s ASP 64 CO 0.03 -0.64 0.05 0.49 1.18 0.00 0.00 175.17 176.29 1b4m n PHE 65 N 4.81 0.27 -3.76 4.23 3.72 -0.48 -4.98 117.46 121.26 1b4m n PHE 65 Ca -0.06 -1.41 -0.25 0.00 -0.05 0.00 0.00 57.45 55.67 1b4m n PHE 65 Cb 0.41 -0.06 -0.17 0.00 -0.94 0.00 0.00 39.48 38.72 1b4m n PHE 65 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1b4m s THR 66 N -2.25 0.48 -0.17 4.37 2.01 -1.26 -1.60 115.64 117.21 1b4m s THR 66 Ca 0.08 -0.22 -0.40 0.00 0.31 0.00 0.00 61.69 61.45 1b4m s THR 66 Cb 0.00 -0.80 -0.17 0.00 0.01 0.00 0.00 72.50 71.55 1b4m s THR 66 CO 0.05 0.04 1.56 0.55 -0.69 0.00 0.00 174.62 176.14 1b4m n VAL 67 N 5.09 0.16 -3.30 3.82 3.14 0.14 -2.66 118.33 124.72 1b4m n VAL 67 Ca -0.08 -0.03 -0.16 0.00 -2.96 0.00 0.00 64.34 61.11 1b4m n VAL 67 Cb 0.49 -0.95 0.08 0.00 -1.06 0.00 0.00 33.84 32.40 1b4m n VAL 67 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1b4m n GLY 68 N 3.48 -0.62 0.00 7.55 0.00 0.20 -4.93 105.19 110.88 1b4m n GLY 68 Ca 0.24 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 -3.68 0.91 -3.27 1.61 3.14 -1.09 -5.00 118.33 110.94 1b4m n VAL 69 Ca -0.20 -0.91 -0.13 0.00 -2.96 0.00 0.00 64.34 60.14 1b4m n VAL 69 Cb 0.64 0.54 0.01 0.00 -1.06 0.00 0.00 33.84 33.97 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 -0.46 -1.64 -1.76 1.45 2.13 -1.26 -4.66 120.64 114.43 1b4m n GLU 70 Ca 0.00 1.40 -0.19 0.00 0.66 0.00 0.00 57.16 59.03 1b4m n GLU 70 Cb 0.29 -4.39 -0.09 0.00 0.27 0.00 0.00 31.44 27.52 1b4m n GLU 70 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 1b4m s PHE 71 N -2.76 1.45 -1.00 4.31 5.36 0.91 -4.80 117.98 121.45 1b4m s PHE 71 Ca 0.09 1.66 -0.25 0.00 -0.96 0.00 0.00 56.93 57.47 1b4m s PHE 71 Cb -0.02 -3.57 -0.13 0.00 -0.34 0.00 0.00 43.02 38.97 1b4m s PHE 71 CO 0.81 -0.99 2.10 -0.51 -1.46 0.00 0.00 175.22 175.16 1b4m s ASP 72 N 8.22 4.36 0.50 6.13 1.01 -1.26 -1.94 116.67 133.69 1b4m s ASP 72 Ca 0.78 -0.84 -0.21 0.00 0.71 0.00 0.00 52.55 52.99 1b4m s ASP 72 Cb -0.05 -2.58 -0.07 0.00 1.01 0.00 0.00 42.92 41.24 1b4m s ASP 72 CO 0.14 -3.64 1.11 -0.70 0.21 0.00 0.00 175.17 172.30 1b4m s GLU 73 N 7.69 3.59 -0.37 8.23 2.12 -0.01 -4.96 118.70 134.99 1b4m s GLU 73 Ca 0.78 1.59 0.12 0.00 0.36 0.00 0.00 54.97 57.82 1b4m s GLU 73 Cb -0.06 -2.15 0.36 0.00 0.26 0.00 0.00 34.13 32.53 1b4m s GLU 73 CO 0.10 -0.65 0.76 0.72 -0.54 0.00 0.00 175.26 175.64 1b4m n HIS 74 N -0.96 0.15 -0.99 5.30 8.25 -1.26 -3.02 115.22 122.69 1b4m n HIS 74 Ca 0.10 -3.71 -0.32 0.00 -0.26 0.00 0.00 57.72 53.53 1b4m n HIS 74 Cb 0.50 -0.36 -0.00 0.00 1.12 0.00 0.00 29.99 31.26 1b4m n HIS 74 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1b4m n THR 75 N 0.26 0.51 0.00 1.59 -2.24 -1.21 -4.84 114.28 108.35 1b4m n THR 75 Ca 0.23 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1b4m n THR 75 Cb 0.67 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 1b4m n THR 75 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1b4m n LYS 76 N 1.01 0.00 -0.30 -0.78 2.85 -1.26 -3.24 118.16 116.44 1b4m n LYS 76 Ca 0.09 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.35 1b4m n LYS 76 Cb 0.30 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.68 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 -0.21 0.70 2.08 2.58 0.00 -1.26 -4.73 105.19 104.35 1b4m n GLY 77 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.50 -0.01 0.99 7.94 -1.26 -5.08 117.00 118.08 1b4m n LEU 78 Ca 0.00 0.54 -0.03 0.00 -1.11 0.00 0.00 56.01 55.41 1b4m n LEU 78 Cb 0.00 1.55 -0.01 0.00 0.53 0.00 0.00 43.42 45.49 1b4m n LEU 78 CO 0.00 -0.37 -0.22 -0.67 -1.11 0.00 0.00 177.39 175.01 1b4m n ASP 79 N -3.29 1.10 -0.82 1.96 2.03 -1.26 -4.60 116.55 111.68 1b4m n ASP 79 Ca 0.00 0.17 0.00 0.00 0.52 0.00 0.00 54.79 55.48 1b4m n ASP 79 Cb 0.00 -0.44 0.00 0.00 -0.72 0.00 0.00 41.12 39.96 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 2.60 0.58 0.00 0.27 0.00 -1.25 -4.93 105.19 102.46 1b4m n GLY 80 Ca -0.05 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.69 0.00 0.00 1.61 3.00 -1.20 -5.00 116.66 114.38 1b4m n ARG 81 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1b4m n ARG 81 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.73 1b4m n ARG 81 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1b4m n ASN 82 N 0.00 0.00 0.00 6.15 6.94 -1.26 -3.32 115.26 123.77 1b4m n ASN 82 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1b4m n ASN 82 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1b4m n ASN 82 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1b4m n VAL 83 N 0.00 -0.13 -2.98 3.53 0.31 -1.17 -4.10 118.33 113.79 1b4m n VAL 83 Ca 0.00 0.00 -0.44 0.00 -0.01 0.00 0.00 64.34 63.89 1b4m n VAL 83 Cb 0.00 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 32.91 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 -4.44 3.74 -0.98 5.55 3.01 -0.86 -0.83 119.74 124.93 1b4m s LYS 84 Ca 0.00 -2.07 -0.14 0.00 -1.01 0.00 0.00 55.97 52.75 1b4m s LYS 84 Cb 0.00 -4.90 0.21 0.00 -1.01 0.00 0.00 37.83 32.13 1b4m s LYS 84 CO 0.00 -1.71 1.02 0.99 0.51 0.00 0.00 175.35 176.16 1b4m s THR 85 N 2.05 5.45 -0.82 2.17 2.01 -0.82 -0.78 115.64 124.91 1b4m s THR 85 Ca 0.34 -2.56 -0.21 0.00 0.31 0.00 0.00 61.69 59.57 1b4m s THR 85 Cb -0.05 -4.63 0.09 0.00 0.01 0.00 0.00 72.50 67.92 1b4m s THR 85 CO -0.07 -1.25 1.11 -0.22 -0.69 0.00 0.00 174.62 173.50 1b4m s LEU 86 N 0.51 4.48 0.32 4.42 2.96 -1.05 -0.07 118.68 130.25 1b4m s LEU 86 Ca 0.28 -1.45 -0.28 0.00 -0.22 0.00 0.00 54.13 52.46 1b4m s LEU 86 Cb -0.08 -2.44 -0.09 0.00 0.50 0.00 0.00 46.19 44.08 1b4m s LEU 86 CO -0.08 -1.32 1.09 -0.69 -1.32 0.00 0.00 176.35 174.03 1b4m s VAL 87 N 3.71 3.53 0.23 1.68 1.01 -1.26 -2.52 120.40 126.77 1b4m s VAL 87 Ca 0.30 1.43 -0.22 0.00 0.00 0.00 0.00 61.98 63.49 1b4m s VAL 87 Cb -0.09 -3.87 0.05 0.00 0.00 0.00 0.00 36.38 32.47 1b4m s VAL 87 CO -0.00 0.26 0.88 0.28 0.00 0.00 0.00 175.10 176.52 1b4m s THR 88 N -1.30 0.00 -0.12 3.92 -1.32 0.27 0.60 115.64 117.69 1b4m s THR 88 Ca 0.48 -0.80 -0.09 0.00 -1.21 0.00 0.00 61.69 60.07 1b4m s THR 88 Cb -0.29 -2.27 -0.04 0.00 -1.51 0.00 0.00 72.50 68.38 1b4m s THR 88 CO 0.37 0.00 0.19 0.26 -2.21 0.00 0.00 174.62 173.23 1b4m s TRP 89 N -3.13 3.56 -0.90 9.09 0.52 -1.26 0.11 118.94 126.92 1b4m s TRP 89 Ca 0.14 0.56 0.24 0.00 0.02 0.00 0.00 56.10 57.05 1b4m s TRP 89 Cb -0.03 -2.07 0.23 0.00 -1.15 0.00 0.00 33.47 30.45 1b4m s TRP 89 CO 0.05 0.58 1.21 -1.91 0.02 0.00 0.00 176.95 176.91 1b4m n GLU 90 N 2.44 0.07 0.00 4.98 0.00 0.35 -4.84 120.64 123.64 1b4m n GLU 90 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.99 1b4m n GLU 90 Cb 0.54 -1.53 0.00 0.00 0.00 0.00 0.00 31.44 30.45 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 1.47 4.42 2.54 8.31 0.00 -1.26 -4.83 105.19 115.83 1b4m n GLY 91 Ca 0.04 -0.80 -0.12 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.26 0.00 1.61 0.23 -1.26 -4.61 115.26 109.97 1b4m n ASN 92 Ca 0.00 -3.43 0.00 0.00 -0.53 0.00 0.00 54.58 50.62 1b4m n ASN 92 Cb 0.00 1.02 0.00 0.00 -2.08 0.00 0.00 39.78 38.72 1b4m n ASN 92 CO 0.00 0.00 0.00 1.07 -0.93 0.00 0.00 177.26 177.40 1b4m n THR 93 N 0.43 0.00 -2.26 5.53 5.66 -1.26 -4.46 114.28 117.91 1b4m n THR 93 Ca 0.13 0.00 -0.34 0.00 -3.05 0.00 0.00 64.05 60.78 1b4m n THR 93 Cb 0.68 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.42 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 3.29 0.06 1.09 0.20 -1.14 0.13 118.68 122.31 1b4m s LEU 94 Ca 0.00 -0.77 -0.18 0.00 0.69 0.00 0.00 54.13 53.87 1b4m s LEU 94 Cb 0.00 -2.56 -0.06 0.00 -0.43 0.00 0.00 46.19 43.14 1b4m s LEU 94 CO 0.00 -2.20 0.53 -0.69 -0.29 0.00 0.00 176.35 173.70 1b4m s VAL 95 N 7.85 4.82 -0.09 1.68 1.01 0.30 -2.21 120.40 133.76 1b4m s VAL 95 Ca 0.58 1.08 -0.03 0.00 0.00 0.00 0.00 61.98 63.61 1b4m s VAL 95 Cb -0.05 -3.83 0.05 0.00 0.00 0.00 0.00 36.38 32.54 1b4m s VAL 95 CO 0.01 0.52 0.17 0.00 0.00 0.00 0.00 175.10 175.80 1b4m s VAL 97 N 2.01 5.03 -0.66 0.00 1.01 -1.05 -3.04 120.40 123.71 1b4m s VAL 97 Ca -0.00 -1.12 -0.24 0.00 0.00 0.00 0.00 61.98 60.61 1b4m s VAL 97 Cb -0.12 -4.02 0.06 0.00 0.00 0.00 0.00 36.38 32.30 1b4m s VAL 97 CO -0.06 -0.56 1.02 -1.10 0.00 0.00 0.00 175.10 174.40 1b4m s GLN 98 N 1.60 3.16 -0.66 2.72 -0.21 -1.26 -2.54 119.66 122.46 1b4m s GLN 98 Ca 0.04 -0.64 -0.17 0.00 0.02 0.00 0.00 55.36 54.61 1b4m s GLN 98 Cb -0.24 -4.20 0.14 0.00 1.00 0.00 0.00 33.01 29.72 1b4m s GLN 98 CO 0.06 -1.84 0.70 0.21 -2.12 0.00 0.00 175.29 172.30 1b4m s LYS 99 N 4.37 3.21 0.00 2.91 2.36 0.04 -4.02 119.74 128.61 1b4m s LYS 99 Ca 0.26 -1.75 0.00 0.00 -2.55 0.00 0.00 55.97 51.93 1b4m s LYS 99 Cb -0.15 -4.37 0.00 0.00 -1.05 0.00 0.00 37.83 32.26 1b4m s LYS 99 CO 0.12 -1.44 0.00 0.41 1.55 0.00 0.00 175.35 175.99 1b4m n GLY 100 N 4.98 0.58 0.00 5.54 0.00 -1.25 -2.02 105.19 113.02 1b4m n GLY 100 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 0.00 -0.05 1.61 2.13 -1.26 -4.93 120.64 118.14 1b4m n GLU 101 Ca 0.00 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.62 1b4m n GLU 101 Cb 0.00 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 31.58 1b4m n GLU 101 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1b4m n LYS 102 N 0.00 0.72 -4.54 5.31 0.00 -1.26 -4.96 118.16 113.42 1b4m n LYS 102 Ca 0.00 0.22 -0.30 0.00 0.00 0.00 0.00 58.31 58.22 1b4m n LYS 102 Cb 0.00 -1.64 -0.12 0.00 0.00 0.00 0.00 35.03 33.27 1b4m n LYS 102 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1b4m s GLU 103 N -2.54 2.00 -0.54 1.64 -1.05 -1.26 -4.91 118.70 112.04 1b4m s GLU 103 Ca -0.26 -1.03 -0.10 0.00 -0.15 0.00 0.00 54.97 53.43 1b4m s GLU 103 Cb 0.07 -2.18 0.14 0.00 -0.44 0.00 0.00 34.13 31.73 1b4m s GLU 103 CO 0.71 0.52 0.43 -0.80 0.95 0.00 0.00 175.26 177.07 1b4m s ASN 104 N -1.66 5.82 0.00 0.83 0.01 -1.26 -3.75 114.94 114.94 1b4m s ASN 104 Ca 0.16 -2.12 0.22 0.00 -0.71 0.00 0.00 52.86 50.40 1b4m s ASN 104 Cb -0.11 -2.03 0.41 0.00 0.41 0.00 0.00 41.25 39.93 1b4m s ASN 104 CO 0.07 -0.65 1.37 0.54 -1.51 0.00 0.00 177.10 176.92 1b4m n ARG 105 N 4.64 2.45 -1.52 -0.60 5.12 -1.26 -0.13 116.66 125.36 1b4m n ARG 105 Ca -0.04 -2.25 -0.27 0.00 -1.93 0.00 0.00 57.85 53.37 1b4m n ARG 105 Cb 0.41 -1.49 -0.16 0.00 -1.16 0.00 0.00 32.46 30.07 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 1.40 -0.36 3.60 -0.13 0.00 -1.26 -4.34 105.19 104.09 1b4m n GLY 106 Ca 0.19 0.43 -0.34 0.00 0.00 0.00 0.00 46.02 46.29 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 6.38 3.07 0.08 1.61 -2.14 -1.17 -3.30 118.94 123.47 1b4m s TRP 107 Ca 1.22 -0.01 -0.08 0.00 2.66 0.00 0.00 56.10 59.90 1b4m s TRP 107 Cb -0.76 -1.84 -0.00 0.00 -3.10 0.00 0.00 33.47 27.77 1b4m s TRP 107 CO 0.43 0.26 0.17 -1.59 -2.66 0.00 0.00 176.95 173.56 1b4m s LYS 108 N -0.41 0.81 -0.07 3.25 -2.85 -0.66 -2.89 119.74 116.91 1b4m s LYS 108 Ca 0.07 -0.94 -0.00 0.00 -1.00 0.00 0.00 55.97 54.10 1b4m s LYS 108 Cb -0.12 0.33 0.02 0.00 -2.06 0.00 0.00 37.83 36.00 1b4m s LYS 108 CO 0.02 -0.25 -0.03 -0.65 0.10 0.00 0.00 175.35 174.55 1b4m s GLN 109 N -3.70 0.85 0.43 1.78 1.11 -0.94 -1.93 119.66 117.26 1b4m s GLN 109 Ca 0.04 -0.03 0.06 0.00 0.01 0.00 0.00 55.36 55.44 1b4m s GLN 109 Cb 0.04 -1.03 -0.06 0.00 -1.01 0.00 0.00 33.01 30.95 1b4m s GLN 109 CO -0.10 -0.21 0.08 1.67 0.01 0.00 0.00 175.29 176.74 1b4m s TRP 110 N 1.54 2.44 -0.47 0.91 -2.14 -1.08 -2.91 118.94 117.23 1b4m s TRP 110 Ca -0.01 -0.68 -0.06 0.00 2.66 0.00 0.00 56.10 58.01 1b4m s TRP 110 Cb -0.13 -1.83 0.12 0.00 -3.10 0.00 0.00 33.47 28.53 1b4m s TRP 110 CO -0.04 0.30 0.31 0.08 -2.66 0.00 0.00 176.95 174.94 1b4m s VAL 111 N -2.69 3.85 -0.81 -0.66 1.01 -1.26 -0.54 120.40 119.30 1b4m s VAL 111 Ca 0.34 -2.02 -0.05 0.00 0.00 0.00 0.00 61.98 60.24 1b4m s VAL 111 Cb 0.06 -3.56 0.21 0.00 0.00 0.00 0.00 36.38 33.09 1b4m s VAL 111 CO 0.18 -0.76 0.69 -1.61 0.00 0.00 0.00 175.10 173.60 1b4m s GLU 112 N 1.11 3.19 2.86 2.72 0.41 -0.74 -4.97 118.70 123.27 1b4m s GLU 112 Ca 0.08 -2.86 0.00 0.00 -0.41 0.00 0.00 54.97 51.78 1b4m s GLU 112 Cb -0.24 -4.03 0.00 0.00 -1.78 0.00 0.00 34.13 28.08 1b4m s GLU 112 CO -0.03 -1.24 0.00 0.41 -0.49 0.00 0.00 175.26 173.92 1b4m n GLY 113 N 3.08 1.30 0.15 -1.39 0.00 -1.26 -3.71 105.19 103.36 1b4m n GLY 113 Ca 0.16 -0.61 0.07 0.00 0.00 0.00 0.00 46.02 45.64 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 4.77 1.08 -4.38 1.61 8.00 -1.26 -5.00 116.55 121.37 1b4m n ASP 114 Ca 0.00 -1.04 -0.25 0.00 0.71 0.00 0.00 54.79 54.21 1b4m n ASP 114 Cb 0.00 0.78 -0.09 0.00 -0.02 0.00 0.00 41.12 41.78 1b4m n ASP 114 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1b4m s LYS 115 N -2.18 1.85 -0.04 -1.24 0.00 -1.24 -2.97 119.74 113.91 1b4m s LYS 115 Ca 0.09 -2.09 0.00 0.00 0.00 0.00 0.00 55.97 53.97 1b4m s LYS 115 Cb 0.12 -0.92 0.03 0.00 0.00 0.00 0.00 37.83 37.05 1b4m s LYS 115 CO 0.52 -0.31 -0.01 -1.17 0.00 0.00 0.00 175.35 174.38 1b4m s LEU 116 N -3.60 1.12 0.78 2.77 0.20 -1.26 -1.80 118.68 116.89 1b4m s LEU 116 Ca 0.28 -0.06 -0.12 0.00 0.69 0.00 0.00 54.13 54.91 1b4m s LEU 116 Cb 0.06 -0.32 0.06 0.00 -0.43 0.00 0.00 46.19 45.56 1b4m s LEU 116 CO 0.14 -0.10 1.13 -0.31 -0.29 0.00 0.00 176.35 176.92 1b4m s TYR 117 N 1.13 3.01 -0.37 5.38 2.02 0.30 -4.35 117.35 124.47 1b4m s TYR 117 Ca -0.08 0.93 0.12 0.00 -0.37 0.00 0.00 57.07 57.68 1b4m s TYR 117 Cb -0.14 -3.27 0.35 0.00 -0.40 0.00 0.00 41.96 38.51 1b4m s TYR 117 CO -0.02 -1.63 0.75 -0.11 -1.57 0.00 0.00 175.55 172.97 1b4m n LEU 118 N -3.28 0.79 -4.60 -1.29 0.00 -1.26 -2.62 117.00 104.74 1b4m n LEU 118 Ca 0.07 -4.92 -0.43 0.00 0.00 0.00 0.00 56.01 50.73 1b4m n LEU 118 Cb 0.59 0.71 -0.03 0.00 0.00 0.00 0.00 43.42 44.69 1b4m n LEU 118 CO 0.57 2.25 1.74 -0.70 0.00 0.00 0.00 177.39 181.25 1b4m s GLU 119 N -2.40 3.14 0.10 1.96 -6.30 -0.81 -4.16 118.70 110.22 1b4m s GLU 119 Ca 0.39 1.75 0.08 0.00 -2.50 0.00 0.00 54.97 54.69 1b4m s GLU 119 Cb 0.35 -4.32 -0.04 0.00 0.00 0.00 0.00 34.13 30.12 1b4m s GLU 119 CO -0.07 -2.09 -0.18 -0.48 0.02 0.00 0.00 175.26 172.45 1b4m s LEU 120 N 8.02 2.69 0.30 2.70 0.05 -0.91 -1.65 118.68 129.88 1b4m s LEU 120 Ca 0.92 -0.53 0.11 0.00 0.05 0.00 0.00 54.13 54.68 1b4m s LEU 120 Cb -0.28 -1.55 -0.05 0.00 -2.05 0.00 0.00 46.19 42.26 1b4m s LEU 120 CO 0.34 0.19 -0.11 -0.89 -0.55 0.00 0.00 176.35 175.33 1b4m s THR 121 N -1.10 2.57 -0.11 5.48 2.01 -1.21 -0.39 115.64 122.89 1b4m s THR 121 Ca 0.17 -2.22 0.04 0.00 0.31 0.00 0.00 61.69 59.99 1b4m s THR 121 Cb -0.11 -2.54 0.14 0.00 0.01 0.00 0.00 72.50 70.00 1b4m s THR 121 CO 0.09 -0.31 1.13 0.00 -0.69 0.00 0.00 174.62 174.84 1b4m n GLY 123 N -0.51 0.89 0.09 0.00 0.00 0.81 -4.35 105.19 102.12 1b4m n GLY 123 Ca -0.23 -0.74 -0.09 0.00 0.00 0.00 0.00 46.02 44.96 1b4m n GLY 123 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1b4m h ASP 124 N 0.00 0.14 -0.86 1.61 1.82 -1.89 -3.45 116.42 113.78 1b4m h ASP 124 Ca 0.00 -0.14 -0.51 0.00 -0.39 0.00 0.00 57.03 56.00 1b4m h ASP 124 Cb 0.00 -0.04 0.00 0.00 0.68 0.00 0.00 39.33 39.97 1b4m h ASP 124 CO 0.00 1.06 -0.20 -1.10 -1.61 0.00 0.00 179.24 177.39 1b4m s GLN 125 N -2.84 2.37 -0.43 0.28 -1.52 -1.26 -5.10 119.66 111.16 1b4m s GLN 125 Ca -0.01 -1.69 0.06 0.00 -1.95 0.00 0.00 55.36 51.77 1b4m s GLN 125 Cb 0.10 -2.48 0.18 0.00 -0.22 0.00 0.00 33.01 30.58 1b4m s GLN 125 CO 0.83 -0.67 0.58 0.14 -0.25 0.00 0.00 175.29 175.92 1b4m s VAL 126 N -2.64 -0.77 -0.21 1.09 -7.23 -1.26 -2.06 120.40 107.31 1b4m s VAL 126 Ca 0.52 -0.62 -0.29 0.00 -1.81 0.00 0.00 61.98 59.79 1b4m s VAL 126 Cb -0.05 -0.22 -0.04 0.00 0.56 0.00 0.00 36.38 36.63 1b4m s VAL 126 CO 0.32 -0.20 1.80 0.00 -0.31 0.00 0.00 175.10 176.71 1b4m s ARG 128 N 5.13 3.42 0.80 0.00 1.81 -1.26 -2.15 118.95 126.70 1b4m s ARG 128 Ca 0.80 -1.55 -0.12 0.00 -1.72 0.00 0.00 55.73 53.14 1b4m s ARG 128 Cb -0.28 -4.64 0.07 0.00 -0.45 0.00 0.00 34.95 29.65 1b4m s ARG 128 CO 0.33 -1.71 1.10 -0.65 -0.68 0.00 0.00 175.30 173.69 1b4m s GLN 129 N 2.79 2.07 0.06 3.54 -0.21 -1.26 -4.27 119.66 122.39 1b4m s GLN 129 Ca 0.26 0.56 0.04 0.00 0.02 0.00 0.00 55.36 56.24 1b4m s GLN 129 Cb -0.11 -1.92 -0.03 0.00 1.00 0.00 0.00 33.01 31.95 1b4m s GLN 129 CO -0.03 -1.61 -0.12 0.14 -2.12 0.00 0.00 175.29 171.55 1b4m s VAL 130 N -3.21 0.92 0.30 1.09 -7.23 -1.25 -4.42 120.40 106.61 1b4m s VAL 130 Ca 0.61 -1.24 -0.06 0.00 -1.81 0.00 0.00 61.98 59.48 1b4m s VAL 130 Cb -0.14 -0.93 -0.00 0.00 0.56 0.00 0.00 36.38 35.87 1b4m s VAL 130 CO 0.54 -0.28 0.46 -0.36 -0.31 0.00 0.00 175.10 175.14 1b4m s PHE 131 N -1.33 0.83 -0.22 2.82 0.40 -1.21 -4.42 117.98 114.85 1b4m s PHE 131 Ca -0.04 -1.11 -0.18 0.00 -0.60 0.00 0.00 56.93 55.00 1b4m s PHE 131 Cb -0.10 -0.01 0.06 0.00 0.51 0.00 0.00 43.02 43.48 1b4m s PHE 131 CO 0.02 -1.06 0.56 -1.59 0.70 0.00 0.00 175.22 173.84 1b4m s LYS 132 N -3.42 0.63 -0.86 0.44 0.00 -1.26 -4.60 119.74 110.68 1b4m s LYS 132 Ca 0.28 0.85 -0.25 0.00 0.00 0.00 0.00 55.97 56.86 1b4m s LYS 132 Cb 0.00 0.25 0.02 0.00 0.00 0.00 0.00 37.83 38.10 1b4m s LYS 132 CO 0.16 -0.10 1.49 0.21 0.00 0.00 0.00 175.35 177.10 1b4m s LYS 133 N 0.66 3.22 0.00 1.78 2.20 -1.16 -3.53 119.74 122.91 1b4m s LYS 133 Ca -0.03 -0.50 0.00 0.00 -0.36 0.00 0.00 55.97 55.08 1b4m s LYS 133 Cb -0.05 -4.77 0.00 0.00 -1.51 0.00 0.00 37.83 31.50 1b4m s LYS 133 CO -0.04 -2.38 0.00 1.17 -0.36 0.00 0.00 175.35 173.74