#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 1.48 -0.10 2.03 -2.24 -1.26 -4.87 114.28 109.32 1b4m n THR 2 Ca 0.00 0.06 -0.22 0.00 -2.27 0.00 0.00 64.05 61.62 1b4m n THR 2 Cb 0.00 -2.23 -0.07 0.00 -2.10 0.00 0.00 70.33 65.93 1b4m n THR 2 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1b4m n LYS 3 N -4.49 0.43 -1.45 -0.78 5.02 -1.26 -4.47 118.16 111.16 1b4m n LYS 3 Ca -0.21 0.19 -0.46 0.00 -2.02 0.00 0.00 58.31 55.80 1b4m n LYS 3 Cb 0.51 -1.23 -0.09 0.00 -0.02 0.00 0.00 35.03 34.19 1b4m n LYS 3 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1b4m n ASP 4 N -3.93 1.48 0.00 4.39 8.00 -1.26 -4.87 116.55 120.35 1b4m n ASP 4 Ca -0.40 0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.30 1b4m n ASP 4 Cb 0.77 -1.18 0.00 0.00 -0.02 0.00 0.00 41.12 40.69 1b4m n ASP 4 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 1b4m n GLN 5 N 8.35 3.36 0.00 -1.24 -0.06 -1.26 -4.94 117.38 121.59 1b4m n GLN 5 Ca 0.49 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.49 1b4m n GLN 5 Cb 0.20 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.38 1b4m n GLN 5 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 1b4m n ASN 6 N 0.00 0.00 0.00 1.69 5.03 -1.26 -5.02 115.26 115.70 1b4m n ASN 6 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1b4m n ASN 6 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 1b4m n ASN 6 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1b4m n GLY 7 N 0.00 -0.79 3.43 7.41 0.00 -1.23 -5.04 105.19 108.97 1b4m n GLY 7 Ca 0.00 -1.40 -0.28 0.00 0.00 0.00 0.00 46.02 44.34 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 -2.75 2.46 -0.24 2.61 2.01 -1.26 -1.95 115.64 116.52 1b4m s THR 8 Ca 0.00 -1.83 -0.02 0.00 0.31 0.00 0.00 61.69 60.15 1b4m s THR 8 Cb 0.00 -2.14 0.12 0.00 0.01 0.00 0.00 72.50 70.49 1b4m s THR 8 CO 0.00 -0.01 0.33 0.26 -0.69 0.00 0.00 174.62 174.51 1b4m s TRP 9 N -1.38 -0.64 -0.68 4.92 0.52 0.21 0.15 118.94 122.05 1b4m s TRP 9 Ca 0.18 0.50 -0.27 0.00 0.02 0.00 0.00 56.10 56.53 1b4m s TRP 9 Cb -0.09 -0.16 0.01 0.00 -1.15 0.00 0.00 33.47 32.08 1b4m s TRP 9 CO 0.09 -0.73 1.47 -1.21 0.02 0.00 0.00 176.95 176.59 1b4m s GLU 10 N 2.46 3.04 0.22 4.98 2.02 -1.09 -0.27 118.70 130.06 1b4m s GLU 10 Ca 0.10 0.10 0.09 0.00 0.02 0.00 0.00 54.97 55.29 1b4m s GLU 10 Cb -0.15 -4.23 0.71 0.00 0.10 0.00 0.00 34.13 30.56 1b4m s GLU 10 CO -0.18 -2.29 0.99 -0.12 0.02 0.00 0.00 175.26 173.68 1b4m n MET 11 N 9.22 -0.04 0.00 1.61 0.00 -1.26 -4.04 117.12 122.61 1b4m n MET 11 Ca 0.09 0.89 0.00 0.00 -0.00 0.00 0.00 57.70 58.69 1b4m n MET 11 Cb 0.50 -1.53 0.00 0.00 0.00 0.00 0.00 33.22 32.19 1b4m n MET 11 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1b4m n GLU 12 N -4.56 0.00 -2.68 2.12 2.13 -1.26 -3.40 120.64 112.99 1b4m n GLU 12 Ca 0.20 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.97 1b4m n GLU 12 Cb 0.69 0.00 0.01 0.00 0.27 0.00 0.00 31.44 32.41 1b4m n GLU 12 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1b4m n SER 13 N 3.32 -1.20 -3.87 4.31 7.64 -1.26 -5.07 113.62 117.49 1b4m n SER 13 Ca 0.00 -1.96 -0.09 0.00 1.01 0.00 0.00 58.87 57.83 1b4m n SER 13 Cb 0.00 2.04 -0.04 0.00 -1.01 0.00 0.00 64.21 65.20 1b4m n SER 13 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1b4m s ASN 14 N -2.21 -0.19 0.00 6.43 2.20 -1.26 -3.71 114.94 116.20 1b4m s ASN 14 Ca 0.11 -0.68 0.00 0.00 -0.94 0.00 0.00 52.86 51.35 1b4m s ASN 14 Cb -0.02 0.62 0.00 0.00 -2.00 0.00 0.00 41.25 39.85 1b4m s ASN 14 CO 0.08 -1.16 0.00 -0.62 -2.94 0.00 0.00 177.10 172.46 1b4m n GLU 15 N -0.38 0.00 -4.52 3.55 -0.58 -1.25 -4.98 120.64 112.47 1b4m n GLU 15 Ca -0.05 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.35 1b4m n GLU 15 Cb 0.61 -0.24 -0.14 0.00 -0.57 0.00 0.00 31.44 31.10 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 -1.00 4.00 -0.14 1.62 4.22 -1.26 -4.99 114.94 117.39 1b4m s ASN 16 Ca 0.00 -0.37 -0.03 0.00 -2.14 0.00 0.00 52.86 50.32 1b4m s ASN 16 Cb 0.00 -1.63 -0.07 0.00 1.28 0.00 0.00 41.25 40.83 1b4m s ASN 16 CO 0.00 0.11 -0.15 2.22 -2.04 0.00 0.00 177.10 177.24 1b4m n PHE 17 N 3.91 0.00 -0.09 1.54 -1.74 -1.26 -4.27 117.46 115.55 1b4m n PHE 17 Ca -0.18 0.00 -0.06 0.00 -0.56 0.00 0.00 57.45 56.64 1b4m n PHE 17 Cb 0.52 -0.51 0.12 0.00 1.52 0.00 0.00 39.48 41.13 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 -0.25 0.77 -0.17 3.97 4.81 -1.94 -0.14 114.58 121.64 1b4m h GLU 18 Ca -0.33 -0.27 -0.09 0.00 -0.13 0.00 0.00 59.36 58.54 1b4m h GLU 18 Cb 1.39 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.70 1b4m h GLU 18 CO -0.13 0.87 -0.28 0.78 -0.73 0.00 0.00 179.01 179.52 1b4m h GLY 19 N 0.97 0.34 0.82 1.92 0.00 -1.98 0.15 103.07 105.29 1b4m h GLY 19 Ca 0.11 -0.28 -0.13 0.00 0.00 0.00 0.00 47.33 47.03 1b4m h GLY 19 CO 0.04 0.25 -0.47 -1.82 0.00 0.00 0.00 176.54 174.55 1b4m h TYR 20 N 0.28 0.63 0.00 5.60 3.20 -1.65 -2.59 116.97 122.44 1b4m h TYR 20 Ca 0.04 -0.29 -0.00 0.00 3.14 0.00 0.00 58.73 61.62 1b4m h TYR 20 Cb 0.65 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.82 1b4m h TYR 20 CO 0.01 1.06 -0.02 0.52 -1.64 0.00 0.00 178.16 178.09 1b4m h MET 21 N 0.03 0.00 0.00 1.82 2.86 -0.67 0.16 114.93 119.12 1b4m h MET 21 Ca -0.04 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.48 1b4m h MET 21 Cb 1.13 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.77 1b4m h MET 21 CO 0.10 0.02 -0.60 0.87 1.06 0.00 0.00 176.91 178.35 1b4m h LYS 22 N 0.00 0.00 -0.38 1.72 1.57 -0.57 0.47 116.57 119.38 1b4m h LYS 22 Ca -0.00 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.68 1b4m h LYS 22 Cb 0.08 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1b4m h LYS 22 CO 0.00 0.60 -0.17 0.00 -0.57 0.00 0.00 179.45 179.32 1b4m h ALA 23 N 1.40 0.53 0.00 3.86 0.00 -0.29 -2.18 119.26 122.58 1b4m h ALA 23 Ca -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1b4m h ALA 23 Cb 1.29 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1b4m h ALA 23 CO 0.08 0.46 -0.39 -0.07 0.00 0.00 0.00 179.25 179.33 1b4m h LEU 24 N 0.58 0.00 -2.52 0.00 3.38 -1.53 -3.48 115.31 111.74 1b4m h LEU 24 Ca 0.09 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1b4m h LEU 24 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1b4m h LEU 24 CO 0.05 0.04 -0.80 -0.67 0.09 0.00 0.00 178.44 177.15 1b4m n ASP 25 N -2.39 -7.52 -2.69 -0.43 -0.08 -0.00 -4.86 116.55 98.58 1b4m n ASP 25 Ca 0.04 0.71 -0.24 0.00 -1.51 0.00 0.00 54.79 53.79 1b4m n ASP 25 Cb 0.47 -4.50 -0.01 0.00 2.34 0.00 0.00 41.12 39.41 1b4m n ASP 25 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1b4m n ILE 26 N 0.18 2.18 -0.74 5.18 3.06 0.14 -4.96 119.36 124.39 1b4m n ILE 26 Ca 0.04 -4.83 -0.05 0.00 -2.50 0.00 0.00 62.75 55.41 1b4m n ILE 26 Cb 0.35 -0.95 0.04 0.00 0.54 0.00 0.00 39.64 39.62 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 -0.30 -0.88 -2.72 9.51 8.00 -1.26 -4.64 116.55 124.26 1b4m n ASP 27 Ca 0.31 -0.74 -0.14 0.00 0.71 0.00 0.00 54.79 54.94 1b4m n ASP 27 Cb 0.61 -0.18 0.06 0.00 -0.02 0.00 0.00 41.12 41.59 1b4m n ASP 27 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1b4m n PHE 28 N -2.76 -1.72 0.00 1.24 3.72 -1.26 -4.84 117.46 111.83 1b4m n PHE 28 Ca 0.03 0.69 0.00 0.00 -0.05 0.00 0.00 57.45 58.11 1b4m n PHE 28 Cb 0.10 -4.10 0.00 0.00 -0.94 0.00 0.00 39.48 34.54 1b4m n PHE 28 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1b4m n ALA 29 N -3.56 0.00 0.00 4.37 0.00 -1.26 -5.02 120.51 115.04 1b4m n ALA 29 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1b4m n ALA 29 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 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 -0.31 0.00 -3.85 0.00 5.66 -1.26 -5.03 114.28 109.48 1b4m n THR 30 Ca 0.00 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.79 1b4m n THR 30 Cb 0.00 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 1b4m n THR 30 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1b4m s ARG 31 N 0.00 2.81 0.00 1.09 1.04 -1.26 -3.51 118.95 119.12 1b4m s ARG 31 Ca 0.00 -1.22 0.00 0.00 -1.04 0.00 0.00 55.73 53.47 1b4m s ARG 31 Cb 0.00 -2.53 0.00 0.00 -2.04 0.00 0.00 34.95 30.38 1b4m s ARG 31 CO 0.00 0.16 0.00 1.63 -0.04 0.00 0.00 175.30 177.05 1b4m n LYS 32 N -1.35 0.00 0.14 3.89 5.02 -1.26 -4.61 118.16 119.98 1b4m n LYS 32 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1b4m n LYS 32 Cb 0.59 -2.60 0.00 0.00 -0.02 0.00 0.00 35.03 33.00 1b4m n LYS 32 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1b4m n ILE 33 N -2.87 0.00 -1.59 -0.18 -0.00 -1.26 -4.95 119.36 108.51 1b4m n ILE 33 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 62.75 62.35 1b4m n ILE 33 Cb 0.00 -0.37 -0.02 0.00 -0.00 0.00 0.00 39.64 39.26 1b4m n ILE 33 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1b4m n ALA 34 N -3.28 6.97 -0.00 -1.39 0.00 -1.23 -4.30 120.51 117.28 1b4m n ALA 34 Ca 0.00 -3.76 -0.20 0.00 0.00 0.00 0.00 53.44 49.48 1b4m n ALA 34 Cb 0.00 -3.24 -0.14 0.00 0.00 0.00 0.00 19.45 16.07 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 3.11 1.27 0.00 0.00 2.07 -1.92 -3.46 116.25 117.31 1b4m h VAL 35 Ca 0.76 -2.41 0.00 0.00 0.82 0.00 0.00 66.70 65.87 1b4m h VAL 35 Cb 0.36 2.90 0.00 0.00 -1.52 0.00 0.00 31.29 33.03 1b4m h VAL 35 CO 1.72 0.65 0.00 -1.14 0.02 0.00 0.00 177.57 178.83 1b4m n ARG 36 N -4.13 0.00 0.00 1.57 3.00 -1.26 -4.97 116.66 110.86 1b4m n ARG 36 Ca -0.20 0.00 0.12 0.00 -0.00 0.00 0.00 57.85 57.77 1b4m n ARG 36 Cb 0.80 0.00 0.27 0.00 0.00 0.00 0.00 32.46 33.53 1b4m n ARG 36 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 1b4m n LEU 37 N 0.00 0.60 0.00 6.15 -0.00 -1.26 -4.93 117.00 117.56 1b4m n LEU 37 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 56.01 55.96 1b4m n LEU 37 Cb 0.00 -0.22 0.00 0.00 -0.00 0.00 0.00 43.42 43.20 1b4m n LEU 37 CO 0.00 0.14 0.00 0.41 -0.00 0.00 0.00 177.39 177.94 1b4m n THR 38 N -1.34 0.00 -1.12 1.47 -1.04 -1.26 -5.08 114.28 105.91 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 0.34 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.85 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 0.00 -3.03 -3.15 -2.82 0.00 -1.26 -4.78 117.38 102.33 1b4m n GLN 39 Ca 0.00 2.32 0.04 0.00 -0.00 0.00 0.00 57.00 59.36 1b4m n GLN 39 Cb 0.00 -2.79 -0.01 0.00 0.00 0.00 0.00 30.24 27.44 1b4m n GLN 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1b4m s THR 40 N -4.31 -0.90 0.23 1.69 2.01 -1.26 -4.64 115.64 108.46 1b4m s THR 40 Ca 0.00 0.00 -0.17 0.00 0.31 0.00 0.00 61.69 61.83 1b4m s THR 40 Cb 0.00 -0.95 -0.08 0.00 0.01 0.00 0.00 72.50 71.48 1b4m s THR 40 CO 0.00 0.00 0.68 -0.75 -0.69 0.00 0.00 174.62 173.86 1b4m s LYS 41 N 2.86 4.10 0.08 4.92 2.36 0.63 -1.49 119.74 133.20 1b4m s LYS 41 Ca 0.15 0.70 0.03 0.00 -2.55 0.00 0.00 55.97 54.30 1b4m s LYS 41 Cb -0.11 -2.76 -0.03 0.00 -1.05 0.00 0.00 37.83 33.87 1b4m s LYS 41 CO -0.23 0.34 -0.08 0.42 1.55 0.00 0.00 175.35 177.35 1b4m s ILE 42 N -1.65 0.73 -0.08 5.43 1.01 0.40 0.67 121.20 127.71 1b4m s ILE 42 Ca 0.45 -1.54 0.01 0.00 0.00 0.00 0.00 60.65 59.57 1b4m s ILE 42 Cb -0.14 -1.21 0.02 0.00 0.01 0.00 0.00 42.46 41.14 1b4m s ILE 42 CO 0.20 -0.59 -0.08 -0.51 0.00 0.00 0.00 174.94 173.95 1b4m s ILE 43 N -2.44 0.96 -0.19 2.92 2.07 -0.82 0.14 121.20 123.84 1b4m s ILE 43 Ca 0.02 -0.31 0.13 0.00 -1.41 0.00 0.00 60.65 59.08 1b4m s ILE 43 Cb -0.03 -0.95 -0.23 0.00 0.13 0.00 0.00 42.46 41.38 1b4m s ILE 43 CO -0.01 0.34 0.09 0.52 -1.91 0.00 0.00 174.94 173.97 1b4m n VAL 44 N 4.44 1.46 -0.18 4.00 0.31 -1.26 -3.48 118.33 123.62 1b4m n VAL 44 Ca -0.17 -0.78 0.00 0.00 -0.01 0.00 0.00 64.34 63.37 1b4m n VAL 44 Cb 0.51 -0.79 0.00 0.00 -0.91 0.00 0.00 33.84 32.65 1b4m n VAL 44 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1b4m n GLN 45 N -2.93 0.00 -0.01 5.55 7.27 -1.26 -4.88 117.38 121.12 1b4m n GLN 45 Ca -0.34 0.00 -0.15 0.00 0.07 0.00 0.00 57.00 56.58 1b4m n GLN 45 Cb 1.11 0.00 -0.14 0.00 2.41 0.00 0.00 30.24 33.62 1b4m n GLN 45 CO 0.00 0.00 0.00 -3.47 0.07 0.00 0.00 177.06 173.66 1b4m n ASP 46 N 0.59 1.48 0.00 1.69 2.03 -1.08 -4.70 116.55 116.56 1b4m n ASP 46 Ca 0.00 0.29 0.00 0.00 0.52 0.00 0.00 54.79 55.60 1b4m n ASP 46 Cb 0.00 -0.42 0.00 0.00 -0.72 0.00 0.00 41.12 39.98 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 1.79 -0.75 0.41 0.27 0.00 -1.26 -4.90 105.19 100.76 1b4m n GLY 47 Ca -0.25 0.25 0.23 0.00 0.00 0.00 0.00 46.02 46.25 1b4m n GLY 47 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1b4m h ASP 48 N 0.00 0.00 -4.23 1.61 3.32 -1.98 -3.39 116.42 111.75 1b4m h ASP 48 Ca 0.00 0.00 -0.69 0.00 0.02 0.00 0.00 57.03 56.36 1b4m h ASP 48 Cb 0.00 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 39.28 1b4m h ASP 48 CO 0.00 0.00 -0.84 0.21 -1.72 0.00 0.00 179.24 176.89 1b4m s ASN 49 N -5.58 3.48 -0.21 6.45 3.84 -1.26 -1.76 114.94 119.90 1b4m s ASN 49 Ca -0.05 -0.36 -0.04 0.00 0.21 0.00 0.00 52.86 52.62 1b4m s ASN 49 Cb 0.18 -0.68 0.11 0.00 -0.55 0.00 0.00 41.25 40.31 1b4m s ASN 49 CO 0.66 0.31 0.34 0.12 -2.79 0.00 0.00 177.10 175.74 1b4m s PHE 50 N -0.54 -0.66 -0.67 0.43 5.36 -1.15 -2.62 117.98 118.12 1b4m s PHE 50 Ca 0.07 0.89 0.04 0.00 -0.96 0.00 0.00 56.93 56.97 1b4m s PHE 50 Cb -0.11 0.00 0.16 0.00 -0.34 0.00 0.00 43.02 42.73 1b4m s PHE 50 CO 0.01 -0.60 0.46 0.15 -1.46 0.00 0.00 175.22 173.78 1b4m s LYS 51 N 2.50 2.41 0.25 10.12 1.02 -1.26 -3.83 119.74 130.95 1b4m s LYS 51 Ca 0.07 -3.16 -0.31 0.00 0.02 0.00 0.00 55.97 52.59 1b4m s LYS 51 Cb -0.14 -3.44 -0.12 0.00 -0.52 0.00 0.00 37.83 33.60 1b4m s LYS 51 CO -0.13 -1.24 1.61 2.41 -0.92 0.00 0.00 175.35 177.08 1b4m n THR 52 N 2.30 0.63 -3.91 2.17 -1.04 -0.80 -4.02 114.28 109.62 1b4m n THR 52 Ca 0.16 -0.16 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 1b4m n THR 52 Cb 0.34 -1.88 -0.09 0.00 -1.82 0.00 0.00 70.33 66.88 1b4m n THR 52 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1b4m s LYS 53 N 0.11 0.60 0.16 -2.82 -2.85 0.38 0.13 119.74 115.45 1b4m s LYS 53 Ca 0.69 -0.69 0.04 0.00 -1.00 0.00 0.00 55.97 55.01 1b4m s LYS 53 Cb -0.53 0.24 -0.04 0.00 -2.06 0.00 0.00 37.83 35.44 1b4m s LYS 53 CO 0.43 -0.15 0.22 0.99 0.10 0.00 0.00 175.35 176.93 1b4m s THR 54 N -2.47 4.91 -0.33 3.79 2.01 -1.26 0.15 115.64 122.45 1b4m s THR 54 Ca -0.06 -0.91 0.17 0.00 0.31 0.00 0.00 61.69 61.20 1b4m s THR 54 Cb -0.02 -3.53 0.46 0.00 0.01 0.00 0.00 72.50 69.42 1b4m s THR 54 CO -0.04 -0.12 0.98 -3.20 -0.69 0.00 0.00 174.62 171.55 1b4m n ASN 55 N -0.53 1.76 0.00 3.53 2.85 -0.55 -4.33 115.26 117.99 1b4m n ASN 55 Ca -0.08 -2.76 0.00 0.00 -0.11 0.00 0.00 54.58 51.63 1b4m n ASN 55 Cb 0.55 -0.52 0.00 0.00 1.24 0.00 0.00 39.78 41.05 1b4m n ASN 55 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1b4m n SER 56 N -0.14 0.00 0.00 1.20 7.64 -1.26 -4.56 113.62 116.51 1b4m n SER 56 Ca 0.12 0.06 0.00 0.00 1.01 0.00 0.00 58.87 60.06 1b4m n SER 56 Cb 0.81 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.01 1b4m n SER 56 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1b4m n THR 57 N -0.09 0.00 -0.02 0.44 -1.04 -1.26 -4.63 114.28 107.68 1b4m n THR 57 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 1b4m n THR 57 Cb 0.00 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.42 1b4m n THR 57 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 1b4m h PHE 58 N 0.00 0.07 -2.31 -1.42 0.04 -1.99 -3.44 116.94 107.88 1b4m h PHE 58 Ca 0.00 -0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.72 1b4m h PHE 58 Cb 0.00 -0.02 -0.25 0.00 2.20 0.00 0.00 35.95 37.89 1b4m h PHE 58 CO 0.00 0.50 -0.27 -0.98 -0.60 0.00 0.00 178.31 176.95 1b4m s ARG 59 N -4.41 0.42 -0.25 1.51 1.70 -1.26 -5.00 118.95 111.67 1b4m s ARG 59 Ca -0.15 1.20 0.13 0.00 -0.47 0.00 0.00 55.73 56.44 1b4m s ARG 59 Cb 0.03 0.54 0.68 0.00 -0.57 0.00 0.00 34.95 35.63 1b4m s ARG 59 CO 0.69 -0.23 1.64 0.09 -1.08 0.00 0.00 175.30 176.41 1b4m n ASN 60 N 5.39 4.62 -4.05 -2.89 3.02 -1.26 -4.37 115.26 115.73 1b4m n ASN 60 Ca -0.10 -3.11 -0.33 0.00 -0.03 0.00 0.00 54.58 51.01 1b4m n ASN 60 Cb 0.49 -0.65 -0.13 0.00 -0.61 0.00 0.00 39.78 38.88 1b4m n ASN 60 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1b4m s TYR 61 N -2.90 3.63 0.00 3.10 5.04 -1.26 -4.11 117.35 120.86 1b4m s TYR 61 Ca 0.50 -2.81 0.00 0.00 -2.44 0.00 0.00 57.07 52.32 1b4m s TYR 61 Cb 0.40 -3.03 0.00 0.00 0.35 0.00 0.00 41.96 39.68 1b4m s TYR 61 CO 0.12 -0.93 0.00 -0.25 -1.34 0.00 0.00 175.55 173.14 1b4m n ASP 62 N 4.21 0.00 -3.99 4.32 9.92 -1.26 -4.95 116.55 124.80 1b4m n ASP 62 Ca 0.02 0.00 -0.29 0.00 -0.53 0.00 0.00 54.79 53.99 1b4m n ASP 62 Cb 0.41 -0.01 -0.17 0.00 -0.64 0.00 0.00 41.12 40.71 1b4m n ASP 62 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1b4m s LEU 63 N -2.63 1.63 -0.37 0.64 2.96 0.34 -5.01 118.68 116.25 1b4m s LEU 63 Ca 0.00 -0.48 0.02 0.00 -0.22 0.00 0.00 54.13 53.45 1b4m s LEU 63 Cb 0.00 -1.11 0.15 0.00 0.50 0.00 0.00 46.19 45.73 1b4m s LEU 63 CO 0.00 -0.08 0.32 -0.62 -1.32 0.00 0.00 176.35 174.66 1b4m s ASP 64 N 1.53 1.76 0.00 3.68 -1.08 -1.26 -1.90 116.67 119.40 1b4m s ASP 64 Ca 0.04 -1.95 0.00 0.00 -0.52 0.00 0.00 52.55 50.12 1b4m s ASP 64 Cb -0.13 0.17 0.00 0.00 -1.46 0.00 0.00 42.92 41.50 1b4m s ASP 64 CO -0.10 -0.26 0.00 2.22 0.52 0.00 0.00 175.17 177.55 1b4m n PHE 65 N 3.99 -0.18 -3.86 -5.34 1.16 -1.25 -5.04 117.46 106.93 1b4m n PHE 65 Ca 0.14 0.00 -0.11 0.00 -1.87 0.00 0.00 57.45 55.61 1b4m n PHE 65 Cb 0.43 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.20 1b4m n PHE 65 CO 0.00 0.00 0.00 -0.08 -1.87 0.00 0.00 176.76 174.81 1b4m s THR 66 N -2.19 0.10 0.21 1.97 -1.32 -1.26 -2.94 115.64 110.20 1b4m s THR 66 Ca 0.00 -0.80 -0.31 0.00 -1.21 0.00 0.00 61.69 59.36 1b4m s THR 66 Cb 0.00 -0.67 -0.11 0.00 -1.51 0.00 0.00 72.50 70.21 1b4m s THR 66 CO 0.00 -0.44 1.65 -0.69 -2.21 0.00 0.00 174.62 172.93 1b4m s VAL 67 N -1.94 2.22 0.00 5.08 1.01 -0.72 -1.82 120.40 124.22 1b4m s VAL 67 Ca -0.10 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.04 1b4m s VAL 67 Cb -0.04 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.23 1b4m s VAL 67 CO -0.01 0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.72 1b4m n GLY 68 N 3.59 1.00 0.36 4.51 0.00 0.23 -4.89 105.19 110.00 1b4m n GLY 68 Ca 0.14 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.33 1b4m n GLY 68 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1b4m h VAL 69 N 0.00 0.61 -5.62 1.61 2.07 -1.58 -3.46 116.25 109.88 1b4m h VAL 69 Ca 0.00 -0.21 -0.18 0.00 0.82 0.00 0.00 66.70 67.13 1b4m h VAL 69 Cb 0.00 -0.06 0.08 0.00 -1.52 0.00 0.00 31.29 29.79 1b4m h VAL 69 CO 0.00 0.11 -0.51 1.21 0.02 0.00 0.00 177.57 178.40 1b4m n GLU 70 N -4.77 -1.65 -1.53 1.57 2.13 -1.26 -4.59 120.64 110.55 1b4m n GLU 70 Ca 0.25 1.08 -0.23 0.00 0.66 0.00 0.00 57.16 58.92 1b4m n GLU 70 Cb 0.70 -5.31 -0.14 0.00 0.27 0.00 0.00 31.44 26.96 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 -2.67 0.65 -0.26 4.31 7.35 0.38 -4.73 117.46 122.49 1b4m n PHE 71 Ca -0.06 0.06 -0.15 0.00 -0.76 0.00 0.00 57.45 56.54 1b4m n PHE 71 Cb 0.57 -1.75 -0.04 0.00 0.35 0.00 0.00 39.48 38.61 1b4m n PHE 71 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1b4m n ASP 72 N 11.98 0.28 -0.84 -2.13 2.03 -1.26 -2.20 116.55 124.41 1b4m n ASP 72 Ca 0.57 -1.96 0.01 0.00 0.52 0.00 0.00 54.79 53.93 1b4m n ASP 72 Cb 0.27 -0.43 -0.00 0.00 -0.72 0.00 0.00 41.12 40.24 1b4m n ASP 72 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1b4m n GLU 73 N 5.71 -0.14 -2.34 -0.67 1.02 -0.08 -4.89 120.64 119.24 1b4m n GLU 73 Ca 0.16 0.09 -0.01 0.00 -0.02 0.00 0.00 57.16 57.38 1b4m n GLU 73 Cb 0.15 -0.18 -0.01 0.00 -0.02 0.00 0.00 31.44 31.39 1b4m n GLU 73 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1b4m n HIS 74 N -1.75 -3.00 -0.10 -0.32 -0.00 -1.24 -4.81 115.22 103.99 1b4m n HIS 74 Ca 0.00 1.47 -0.15 0.00 0.46 0.00 0.00 57.72 59.50 1b4m n HIS 74 Cb 0.03 -3.29 -0.06 0.00 -0.12 0.00 0.00 29.99 26.55 1b4m n HIS 74 CO 0.00 0.00 0.00 0.25 0.46 0.00 0.00 176.34 177.05 1b4m n THR 75 N 0.73 1.49 -0.90 3.57 -2.24 -1.26 -5.03 114.28 110.65 1b4m n THR 75 Ca -0.10 -0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.75 1b4m n THR 75 Cb 0.15 -2.19 -0.03 0.00 -2.10 0.00 0.00 70.33 66.16 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 -4.44 -1.35 0.00 -0.78 0.00 -1.26 -4.80 118.16 105.53 1b4m n LYS 76 Ca -0.26 1.06 0.00 0.00 -0.00 0.00 0.00 58.31 59.11 1b4m n LYS 76 Cb 0.58 -1.89 0.00 0.00 -0.00 0.00 0.00 35.03 33.72 1b4m n LYS 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1b4m n GLY 77 N -3.25 2.20 0.01 2.58 0.00 -1.26 -4.32 105.19 101.16 1b4m n GLY 77 Ca -0.03 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 0.94 0.00 0.99 7.94 -1.26 -5.01 117.00 120.60 1b4m n LEU 78 Ca 0.00 -0.96 0.00 0.00 -1.11 0.00 0.00 56.01 53.94 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 0.23 0.00 -0.67 -1.11 0.00 0.00 177.39 175.84 1b4m n ASP 79 N -0.07 0.00 -1.13 1.96 2.03 -1.26 -4.71 116.55 113.37 1b4m n ASP 79 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1b4m n ASP 79 Cb 0.01 0.22 0.00 0.00 -0.72 0.00 0.00 41.12 40.63 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 -0.65 -0.12 0.00 0.27 0.00 -1.26 -4.88 105.19 98.55 1b4m n GLY 80 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.65 0.60 -3.15 1.61 0.63 -1.26 -4.96 116.66 109.48 1b4m n ARG 81 Ca 0.00 0.00 0.04 0.00 -0.92 0.00 0.00 57.85 56.97 1b4m n ARG 81 Cb 0.27 0.00 -0.00 0.00 0.45 0.00 0.00 32.46 33.18 1b4m n ARG 81 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 1b4m s ASN 82 N 1.00 -1.50 0.05 6.15 0.01 -1.26 -3.71 114.94 115.68 1b4m s ASN 82 Ca 0.00 0.18 0.05 0.00 -0.71 0.00 0.00 52.86 52.39 1b4m s ASN 82 Cb 0.00 1.95 -0.02 0.00 0.41 0.00 0.00 41.25 43.59 1b4m s ASN 82 CO 0.00 -0.27 -0.15 -0.69 -1.51 0.00 0.00 177.10 174.47 1b4m s VAL 83 N 2.84 1.23 -1.07 1.60 1.01 -1.26 -4.66 120.40 120.09 1b4m s VAL 83 Ca 0.12 -1.13 -0.22 0.00 0.00 0.00 0.00 61.98 60.75 1b4m s VAL 83 Cb -0.09 -1.12 0.05 0.00 0.00 0.00 0.00 36.38 35.22 1b4m s VAL 83 CO -0.26 -0.02 1.51 -0.54 0.00 0.00 0.00 175.10 175.79 1b4m s LYS 84 N -1.32 3.65 -0.96 2.72 3.01 0.18 -0.91 119.74 126.11 1b4m s LYS 84 Ca 0.02 -1.27 -0.12 0.00 -1.01 0.00 0.00 55.97 53.59 1b4m s LYS 84 Cb -0.09 -5.39 0.24 0.00 -1.01 0.00 0.00 37.83 31.58 1b4m s LYS 84 CO 0.02 -2.24 0.94 0.99 0.51 0.00 0.00 175.35 175.57 1b4m s THR 85 N 4.92 5.72 0.36 2.17 2.01 -0.93 0.91 115.64 130.79 1b4m s THR 85 Ca 0.48 -2.82 -0.07 0.00 0.31 0.00 0.00 61.69 59.59 1b4m s THR 85 Cb 0.01 -4.55 -0.05 0.00 0.01 0.00 0.00 72.50 67.91 1b4m s THR 85 CO -0.07 -1.13 0.66 -0.22 -0.69 0.00 0.00 174.62 173.17 1b4m s LEU 86 N -0.25 3.92 -0.02 4.42 0.20 0.21 0.14 118.68 127.30 1b4m s LEU 86 Ca 0.24 0.87 -0.00 0.00 0.69 0.00 0.00 54.13 55.93 1b4m s LEU 86 Cb -0.10 -3.73 0.02 0.00 -0.43 0.00 0.00 46.19 41.96 1b4m s LEU 86 CO -0.08 -0.32 0.03 0.54 -0.29 0.00 0.00 176.35 176.22 1b4m s VAL 87 N -2.28 -0.04 0.34 1.68 0.11 -1.26 -0.96 120.40 117.98 1b4m s VAL 87 Ca 0.47 0.16 -0.09 0.00 -2.93 0.00 0.00 61.98 59.59 1b4m s VAL 87 Cb -0.10 -0.07 0.04 0.00 -1.53 0.00 0.00 36.38 34.71 1b4m s VAL 87 CO 0.33 0.07 0.60 1.07 -3.33 0.00 0.00 175.10 173.84 1b4m n THR 88 N 3.91 0.00 -3.86 5.04 5.66 0.96 0.78 114.28 126.78 1b4m n THR 88 Ca -0.24 -1.14 -0.34 0.00 -3.05 0.00 0.00 64.05 59.28 1b4m n THR 88 Cb 0.53 0.91 -0.05 0.00 -1.55 0.00 0.00 70.33 70.17 1b4m n THR 88 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 1b4m s TRP 89 N -3.04 3.56 -0.19 1.09 0.52 -1.26 -0.95 118.94 118.67 1b4m s TRP 89 Ca 0.18 0.42 -0.11 0.00 0.02 0.00 0.00 56.10 56.62 1b4m s TRP 89 Cb -0.03 -1.88 -0.21 0.00 -1.15 0.00 0.00 33.47 30.20 1b4m s TRP 89 CO 0.14 0.64 0.12 -1.91 0.02 0.00 0.00 176.95 175.95 1b4m n GLU 90 N 1.01 0.66 0.00 4.98 4.07 0.46 -4.80 120.64 127.01 1b4m n GLU 90 Ca -0.11 0.34 0.00 0.00 -0.06 0.00 0.00 57.16 57.33 1b4m n GLU 90 Cb 0.53 -1.66 0.00 0.00 -0.06 0.00 0.00 31.44 30.25 1b4m n GLU 90 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1b4m n GLY 91 N 1.76 0.12 2.35 8.31 0.00 -1.26 -4.90 105.19 111.58 1b4m n GLY 91 Ca -0.38 -0.01 0.01 0.00 0.00 0.00 0.00 46.02 45.64 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 1.17 -3.61 1.61 6.94 -1.26 -4.68 115.26 115.43 1b4m n ASN 92 Ca 0.00 -2.02 -0.04 0.00 -0.02 0.00 0.00 54.58 52.50 1b4m n ASN 92 Cb 0.00 -0.35 -0.02 0.00 -2.36 0.00 0.00 39.78 37.05 1b4m n ASN 92 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1b4m s THR 93 N -2.30 0.00 -0.80 5.53 -1.32 -1.26 -4.67 115.64 110.83 1b4m s THR 93 Ca 0.28 0.00 -0.20 0.00 -1.21 0.00 0.00 61.69 60.56 1b4m s THR 93 Cb 0.34 -1.00 0.11 0.00 -1.51 0.00 0.00 72.50 70.44 1b4m s THR 93 CO -0.09 0.00 1.01 -0.22 -2.21 0.00 0.00 174.62 173.11 1b4m s LEU 94 N -2.00 4.93 -0.17 9.08 2.96 -1.26 0.17 118.68 132.39 1b4m s LEU 94 Ca 0.09 -1.64 -0.18 0.00 -0.22 0.00 0.00 54.13 52.18 1b4m s LEU 94 Cb -0.01 -2.39 -0.04 0.00 0.50 0.00 0.00 46.19 44.26 1b4m s LEU 94 CO -0.04 -1.18 0.49 -0.69 -1.32 0.00 0.00 176.35 173.61 1b4m s VAL 95 N 3.07 5.15 -0.08 1.68 1.01 -0.12 -1.40 120.40 129.70 1b4m s VAL 95 Ca 0.26 0.94 0.00 0.00 0.00 0.00 0.00 61.98 63.18 1b4m s VAL 95 Cb -0.11 -3.82 0.02 0.00 0.00 0.00 0.00 36.38 32.46 1b4m s VAL 95 CO -0.01 0.24 -0.06 0.00 0.00 0.00 0.00 175.10 175.27 1b4m s VAL 97 N 1.42 5.19 -0.52 0.00 1.01 -0.13 -3.52 120.40 123.84 1b4m s VAL 97 Ca -0.02 0.49 -0.19 0.00 0.00 0.00 0.00 61.98 62.26 1b4m s VAL 97 Cb -0.13 -3.68 0.07 0.00 0.00 0.00 0.00 36.38 32.63 1b4m s VAL 97 CO -0.04 0.15 0.63 -1.10 0.00 0.00 0.00 175.10 174.75 1b4m s GLN 98 N 2.03 3.10 -0.29 2.72 1.11 -1.25 -0.62 119.66 126.46 1b4m s GLN 98 Ca 0.14 -1.01 0.03 0.00 0.01 0.00 0.00 55.36 54.53 1b4m s GLN 98 Cb -0.16 -4.14 0.07 0.00 -1.01 0.00 0.00 33.01 27.78 1b4m s GLN 98 CO 0.10 -1.28 -0.06 0.21 0.01 0.00 0.00 175.29 174.27 1b4m s LYS 99 N 2.58 2.01 0.00 2.91 2.20 0.26 -4.37 119.74 125.34 1b4m s LYS 99 Ca 0.14 -1.51 0.00 0.00 -0.36 0.00 0.00 55.97 54.23 1b4m s LYS 99 Cb -0.21 -2.99 0.00 0.00 -1.51 0.00 0.00 37.83 33.12 1b4m s LYS 99 CO 0.10 -0.69 0.00 0.41 -0.36 0.00 0.00 175.35 174.82 1b4m n GLY 100 N 4.38 4.51 0.09 5.54 0.00 -1.25 0.50 105.19 118.96 1b4m n GLY 100 Ca -0.08 -2.18 0.11 0.00 0.00 0.00 0.00 46.02 43.87 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 0.15 0.00 1.61 2.13 -1.26 -4.56 120.64 118.71 1b4m n GLU 101 Ca 0.00 0.32 0.00 0.00 0.66 0.00 0.00 57.16 58.14 1b4m n GLU 101 Cb 0.00 -1.76 0.00 0.00 0.27 0.00 0.00 31.44 29.95 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 -2.04 0.00 -1.67 5.31 -0.00 -1.26 -5.15 118.16 113.35 1b4m n LYS 102 Ca 0.03 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 57.94 1b4m n LYS 102 Cb 0.27 0.00 0.02 0.00 -0.00 0.00 0.00 35.03 35.32 1b4m n LYS 102 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1b4m n GLU 103 N -1.80 1.56 -3.05 -1.58 1.02 -1.26 -4.93 120.64 110.61 1b4m n GLU 103 Ca 0.00 0.57 -0.24 0.00 -0.02 0.00 0.00 57.16 57.47 1b4m n GLU 103 Cb 0.00 -2.30 -0.04 0.00 -0.02 0.00 0.00 31.44 29.08 1b4m n GLU 103 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1b4m n ASN 104 N -0.11 3.16 0.16 1.62 3.02 -1.26 -3.79 115.26 118.05 1b4m n ASN 104 Ca 0.09 -3.43 0.13 0.00 -0.03 0.00 0.00 54.58 51.34 1b4m n ASN 104 Cb 0.42 -0.59 0.54 0.00 -0.61 0.00 0.00 39.78 39.54 1b4m n ASN 104 CO 0.00 0.00 0.00 0.03 -2.62 0.00 0.00 177.26 174.67 1b4m h ARG 105 N 3.05 0.00 -0.28 3.52 2.47 -1.76 0.41 114.38 121.79 1b4m h ARG 105 Ca 0.12 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.82 1b4m h ARG 105 Cb 0.67 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.99 1b4m h ARG 105 CO 0.71 0.00 0.10 0.41 0.56 0.00 0.00 179.97 181.75 1b4m n GLY 106 N -0.08 -0.03 3.36 0.04 0.00 -1.23 -3.70 105.19 103.55 1b4m n GLY 106 Ca 0.02 0.04 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 1b4m n GLY 106 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1b4m s TRP 107 N 0.30 2.80 0.25 1.61 -0.00 -1.23 0.12 118.94 122.79 1b4m s TRP 107 Ca 0.07 -0.67 -0.19 0.00 -0.00 0.00 0.00 56.10 55.31 1b4m s TRP 107 Cb -0.06 -1.84 0.02 0.00 -0.00 0.00 0.00 33.47 31.59 1b4m s TRP 107 CO 0.03 -0.23 0.64 -1.59 -0.00 0.00 0.00 176.95 175.80 1b4m s LYS 108 N 0.37 1.63 0.39 5.86 -2.85 -0.46 -3.08 119.74 121.60 1b4m s LYS 108 Ca -0.11 -0.95 0.04 0.00 -1.00 0.00 0.00 55.97 53.95 1b4m s LYS 108 Cb -0.16 0.57 -0.05 0.00 -2.06 0.00 0.00 37.83 36.13 1b4m s LYS 108 CO 0.06 -0.73 0.05 -0.65 0.10 0.00 0.00 175.35 174.18 1b4m s GLN 109 N -3.91 1.86 0.00 1.78 1.11 -0.49 -2.01 119.66 117.99 1b4m s GLN 109 Ca 0.11 -2.08 0.00 0.00 0.01 0.00 0.00 55.36 53.40 1b4m s GLN 109 Cb -0.04 -1.11 0.00 0.00 -1.01 0.00 0.00 33.01 30.85 1b4m s GLN 109 CO 0.03 -0.23 0.00 -2.67 0.01 0.00 0.00 175.29 172.43 1b4m n TRP 110 N -0.88 0.00 0.00 0.91 2.14 -1.17 -4.11 117.44 114.33 1b4m n TRP 110 Ca -0.06 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.51 1b4m n TRP 110 Cb 0.66 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 31.16 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 0.00 0.00 -3.31 -1.67 0.31 -1.26 -4.53 118.33 107.87 1b4m n VAL 111 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.07 1b4m n VAL 111 Cb 0.00 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.86 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 0.00 1.94 -1.93 5.55 1.02 -0.94 -4.97 120.64 121.31 1b4m n GLU 112 Ca 0.00 -4.17 -0.02 0.00 -0.02 0.00 0.00 57.16 52.94 1b4m n GLU 112 Cb 0.00 -1.90 -0.02 0.00 -0.02 0.00 0.00 31.44 29.50 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 0.93 -3.94 4.45 0.62 0.00 -1.26 -4.54 105.19 101.45 1b4m n GLY 113 Ca 0.27 0.49 -0.40 0.00 0.00 0.00 0.00 46.02 46.38 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 0.71 -1.31 0.00 1.61 8.00 -1.26 -4.83 116.55 119.48 1b4m n ASP 114 Ca -0.17 -1.23 0.00 0.00 0.71 0.00 0.00 54.79 54.10 1b4m n ASP 114 Cb 0.26 -1.56 0.00 0.00 -0.02 0.00 0.00 41.12 39.80 1b4m n ASP 114 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1b4m n LYS 115 N -4.08 -0.02 -3.67 -1.24 2.85 -1.26 -1.41 118.16 109.33 1b4m n LYS 115 Ca 0.04 0.00 -0.12 0.00 -1.05 0.00 0.00 58.31 57.18 1b4m n LYS 115 Cb 0.48 0.00 -0.12 0.00 -0.65 0.00 0.00 35.03 34.75 1b4m n LYS 115 CO 0.00 0.00 0.00 -0.48 -0.05 0.00 0.00 177.40 176.87 1b4m s LEU 116 N 0.00 -0.36 0.69 -5.58 0.05 -1.26 -2.23 118.68 109.99 1b4m s LEU 116 Ca 0.00 0.74 -0.15 0.00 0.05 0.00 0.00 54.13 54.77 1b4m s LEU 116 Cb 0.00 0.95 0.02 0.00 -2.05 0.00 0.00 46.19 45.11 1b4m s LEU 116 CO 0.00 -0.23 1.14 -0.31 -0.55 0.00 0.00 176.35 176.40 1b4m s TYR 117 N 2.36 2.41 -0.27 3.48 2.02 -1.26 -4.63 117.35 121.46 1b4m s TYR 117 Ca -0.01 1.57 0.15 0.00 -0.37 0.00 0.00 57.07 58.42 1b4m s TYR 117 Cb -0.12 -3.27 0.48 0.00 -0.40 0.00 0.00 41.96 38.66 1b4m s TYR 117 CO -0.10 -2.01 1.15 -0.11 -1.57 0.00 0.00 175.55 172.91 1b4m n LEU 118 N -2.56 3.20 -4.68 -1.29 0.00 -1.26 -3.07 117.00 107.35 1b4m n LEU 118 Ca 0.11 -3.86 -0.52 0.00 0.00 0.00 0.00 56.01 51.75 1b4m n LEU 118 Cb 0.51 0.07 -0.06 0.00 0.00 0.00 0.00 43.42 43.95 1b4m n LEU 118 CO 0.48 1.55 1.34 1.21 0.00 0.00 0.00 177.39 181.97 1b4m n GLU 119 N -0.65 1.71 -4.16 1.96 0.00 -0.85 -4.63 120.64 114.01 1b4m n GLU 119 Ca 0.25 0.62 -0.11 0.00 0.00 0.00 0.00 57.16 57.92 1b4m n GLU 119 Cb 0.88 -2.38 -0.10 0.00 0.00 0.00 0.00 31.44 29.84 1b4m n GLU 119 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.13 176.65 1b4m s LEU 120 N 3.19 1.27 0.33 4.31 2.34 -0.09 -1.36 118.68 128.67 1b4m s LEU 120 Ca 0.92 -1.28 0.04 0.00 0.06 0.00 0.00 54.13 53.87 1b4m s LEU 120 Cb -0.85 0.49 -0.03 0.00 -0.56 0.00 0.00 46.19 45.23 1b4m s LEU 120 CO 0.55 -0.83 0.17 0.28 -1.06 0.00 0.00 176.35 175.46 1b4m s THR 121 N -4.11 0.35 0.00 5.48 -1.32 0.12 0.58 115.64 116.73 1b4m s THR 121 Ca 0.32 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.80 1b4m s THR 121 Cb 0.06 -2.48 0.00 0.00 -1.51 0.00 0.00 72.50 68.57 1b4m s THR 121 CO 0.08 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.49 1b4m n GLY 123 N 0.00 0.34 2.84 0.00 0.00 -1.21 -3.31 105.19 103.85 1b4m n GLY 123 Ca 0.00 -0.31 -0.17 0.00 0.00 0.00 0.00 46.02 45.54 1b4m n GLY 123 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1b4m n ASP 124 N -0.30 -5.10 0.01 1.61 9.92 -1.26 -4.90 116.55 116.52 1b4m n ASP 124 Ca 0.00 -0.29 0.11 0.00 -0.53 0.00 0.00 54.79 54.08 1b4m n ASP 124 Cb 0.53 -3.86 -0.02 0.00 -0.64 0.00 0.00 41.12 37.13 1b4m n ASP 124 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 1b4m n GLN 125 N -3.46 0.21 -3.82 -1.24 -0.06 -1.21 -4.99 117.38 102.82 1b4m n GLN 125 Ca -0.05 -0.03 -0.18 0.00 -2.00 0.00 0.00 57.00 54.75 1b4m n GLN 125 Cb 0.57 -1.54 0.01 0.00 -4.06 0.00 0.00 30.24 25.22 1b4m n GLN 125 CO 0.00 0.00 0.00 1.33 -0.20 0.00 0.00 177.06 178.19 1b4m n VAL 126 N -1.80 -1.00 -1.55 1.69 0.24 -1.26 -4.76 118.33 109.90 1b4m n VAL 126 Ca 0.02 -0.21 -0.47 0.00 -2.04 0.00 0.00 64.34 61.64 1b4m n VAL 126 Cb 0.41 -0.85 -0.05 0.00 -1.47 0.00 0.00 33.84 31.88 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 5.84 2.57 0.78 0.00 3.52 -1.26 -0.91 118.95 129.49 1b4m s ARG 128 Ca 1.03 -1.70 -0.08 0.00 -0.13 0.00 0.00 55.73 54.85 1b4m s ARG 128 Cb -0.64 -3.96 0.11 0.00 -1.56 0.00 0.00 34.95 28.91 1b4m s ARG 128 CO 0.45 -1.17 1.10 -0.65 -0.81 0.00 0.00 175.30 174.22 1b4m s GLN 129 N 1.41 1.65 0.08 5.12 -1.52 -1.26 -3.95 119.66 121.19 1b4m s GLN 129 Ca 0.05 -0.46 0.02 0.00 -1.95 0.00 0.00 55.36 53.02 1b4m s GLN 129 Cb -0.26 -2.10 -0.04 0.00 -0.22 0.00 0.00 33.01 30.39 1b4m s GLN 129 CO 0.00 -1.62 -0.07 0.14 -0.25 0.00 0.00 175.29 173.49 1b4m s VAL 130 N -3.42 0.65 0.28 1.09 -7.23 -1.24 -4.67 120.40 105.86 1b4m s VAL 130 Ca 0.65 -1.69 0.03 0.00 -1.81 0.00 0.00 61.98 59.17 1b4m s VAL 130 Cb -0.08 -1.37 -0.03 0.00 0.56 0.00 0.00 36.38 35.46 1b4m s VAL 130 CO 0.47 -0.73 0.25 -0.36 -0.31 0.00 0.00 175.10 174.42 1b4m s PHE 131 N -2.98 1.47 -0.30 2.82 0.40 -1.22 -4.50 117.98 113.67 1b4m s PHE 131 Ca 0.06 -1.52 -0.12 0.00 -0.60 0.00 0.00 56.93 54.75 1b4m s PHE 131 Cb 0.01 -0.59 0.14 0.00 0.51 0.00 0.00 43.02 43.09 1b4m s PHE 131 CO -0.03 -0.82 0.78 0.21 0.70 0.00 0.00 175.22 176.06 1b4m s LYS 132 N -3.67 0.47 0.03 0.44 2.47 -1.26 -4.77 119.74 113.45 1b4m s LYS 132 Ca 0.39 1.16 -0.35 0.00 -1.56 0.00 0.00 55.97 55.61 1b4m s LYS 132 Cb 0.04 0.70 -0.14 0.00 -1.46 0.00 0.00 37.83 36.97 1b4m s LYS 132 CO 0.21 -0.17 1.63 1.17 0.16 0.00 0.00 175.35 178.36 1b4m n LYS 133 N 5.27 1.85 -0.57 4.03 4.81 -0.50 -2.65 118.16 130.39 1b4m n LYS 133 Ca -0.11 0.67 0.00 0.00 -0.87 0.00 0.00 58.31 58.01 1b4m n LYS 133 Cb 0.50 -2.43 0.00 0.00 0.02 0.00 0.00 35.03 33.12 1b4m n LYS 133 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74