#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 1.34 0.00 2.03 -1.04 -1.26 -5.04 114.28 110.31 1b4m n THR 2 Ca 0.00 -0.29 0.00 0.00 -2.04 0.00 0.00 64.05 61.72 1b4m n THR 2 Cb 0.00 -1.86 0.00 0.00 -1.82 0.00 0.00 70.33 66.65 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 -4.10 2.39 0.00 -2.82 5.02 -1.26 -4.61 118.16 112.78 1b4m n LYS 3 Ca -0.45 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 55.84 1b4m n LYS 3 Cb 0.81 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.82 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 0.00 0.00 0.00 4.39 8.00 -1.26 -4.86 116.55 122.82 1b4m n ASP 4 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1b4m n ASP 4 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1b4m n ASP 4 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1b4m n GLN 5 N 0.00 0.00 0.00 -1.24 10.64 -1.26 -4.44 117.38 121.08 1b4m n GLN 5 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1b4m n GLN 5 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 1b4m n GLN 5 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 1b4m n ASN 6 N 0.00 0.00 0.00 2.61 2.85 -1.26 -4.97 115.26 114.49 1b4m n ASN 6 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1b4m n ASN 6 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1b4m n ASN 6 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1b4m n GLY 7 N 0.00 -0.99 3.17 8.20 0.00 -1.25 -5.10 105.19 109.22 1b4m n GLY 7 Ca 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 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 -4.00 0.06 -0.07 2.61 2.01 -1.26 -3.03 115.64 111.96 1b4m s THR 8 Ca 0.00 -0.51 -0.02 0.00 0.31 0.00 0.00 61.69 61.46 1b4m s THR 8 Cb 0.00 -0.51 0.04 0.00 0.01 0.00 0.00 72.50 72.03 1b4m s THR 8 CO 0.00 -0.28 0.06 0.26 -0.69 0.00 0.00 174.62 173.97 1b4m s TRP 9 N -1.19 0.19 -1.37 4.92 0.52 -0.50 0.09 118.94 121.59 1b4m s TRP 9 Ca -0.13 0.08 0.15 0.00 0.02 0.00 0.00 56.10 56.22 1b4m s TRP 9 Cb -0.06 -0.57 0.74 0.00 -1.15 0.00 0.00 33.47 32.43 1b4m s TRP 9 CO 0.03 -0.27 1.42 0.39 0.02 0.00 0.00 176.95 178.54 1b4m n GLU 10 N 5.27 0.18 0.00 4.98 -0.58 -1.22 -0.68 120.64 128.60 1b4m n GLU 10 Ca -0.04 0.16 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 1b4m n GLU 10 Cb 0.50 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.87 1b4m n GLU 10 CO 0.00 0.00 0.00 -0.12 -0.48 0.00 0.00 177.13 176.53 1b4m n MET 11 N -1.31 0.00 0.00 3.49 1.56 -1.26 -4.36 117.12 115.24 1b4m n MET 11 Ca 0.07 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.50 1b4m n MET 11 Cb 0.13 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.50 1b4m n MET 11 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 1b4m n GLU 12 N 0.00 0.00 0.00 2.12 -0.58 -1.24 -1.53 120.64 119.41 1b4m n GLU 12 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1b4m n GLU 12 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1b4m n GLU 12 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1b4m n SER 13 N 0.00 0.00 -4.24 1.62 3.41 -1.24 -5.11 113.62 108.06 1b4m n SER 13 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.31 1b4m n SER 13 Cb 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 63.79 1b4m n SER 13 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1b4m s ASN 14 N 0.00 2.81 0.00 4.04 4.22 -1.26 -2.98 114.94 121.77 1b4m s ASN 14 Ca 0.00 -0.46 0.00 0.00 -2.14 0.00 0.00 52.86 50.26 1b4m s ASN 14 Cb 0.00 -0.68 0.00 0.00 1.28 0.00 0.00 41.25 41.85 1b4m s ASN 14 CO 0.00 0.23 0.00 -0.62 -2.04 0.00 0.00 177.10 174.67 1b4m n GLU 15 N 2.90 2.68 -1.50 3.55 1.02 -1.26 -4.82 120.64 123.21 1b4m n GLU 15 Ca -0.17 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.64 1b4m n GLU 15 Cb 0.52 0.00 -0.17 0.00 -0.02 0.00 0.00 31.44 31.77 1b4m n GLU 15 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1b4m n ASN 16 N 0.00 -0.28 -0.05 1.62 5.15 -1.26 -4.66 115.26 115.77 1b4m n ASN 16 Ca 0.00 -0.18 -0.07 0.00 -0.60 0.00 0.00 54.58 53.73 1b4m n ASN 16 Cb 0.00 -0.81 -0.06 0.00 -0.53 0.00 0.00 39.78 38.38 1b4m n ASN 16 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 1b4m n PHE 17 N 8.99 0.00 0.12 1.20 -0.00 -1.26 -4.42 117.46 122.09 1b4m n PHE 17 Ca 0.65 0.00 -0.02 0.00 -0.00 0.00 0.00 57.45 58.08 1b4m n PHE 17 Cb 0.10 -0.45 0.09 0.00 -0.00 0.00 0.00 39.48 39.23 1b4m n PHE 17 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.76 177.81 1b4m h GLU 18 N 0.00 0.00 0.00 -4.13 -0.00 -1.99 -3.03 114.58 105.43 1b4m h GLU 18 Ca -0.25 0.00 -0.07 0.00 -0.00 0.00 0.00 59.36 59.03 1b4m h GLU 18 Cb 1.45 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 30.19 1b4m h GLU 18 CO -0.02 0.71 -0.35 0.78 -0.00 0.00 0.00 179.01 180.13 1b4m h GLY 19 N 2.30 0.00 2.00 1.06 0.00 -1.95 -2.62 103.07 103.86 1b4m h GLY 19 Ca -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 1b4m h GLY 19 CO 0.09 0.00 -0.02 -1.82 0.00 0.00 0.00 176.54 174.79 1b4m h TYR 20 N 0.00 0.00 0.08 5.60 3.20 -1.74 0.28 116.97 124.39 1b4m h TYR 20 Ca -0.00 0.00 -0.25 0.00 3.14 0.00 0.00 58.73 61.62 1b4m h TYR 20 Cb 1.18 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.45 1b4m h TYR 20 CO 0.00 0.02 -1.12 0.52 -1.64 0.00 0.00 178.16 175.95 1b4m h MET 21 N 0.00 0.28 0.00 1.82 2.86 -1.42 -3.22 114.93 115.25 1b4m h MET 21 Ca -0.00 -0.41 -0.09 0.00 -2.06 0.00 0.00 59.70 57.14 1b4m h MET 21 Cb 0.61 0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.39 1b4m h MET 21 CO 0.00 1.15 -0.45 0.87 1.06 0.00 0.00 176.91 179.55 1b4m h LYS 22 N 0.11 0.00 -0.09 1.72 1.57 -1.17 -0.57 116.57 118.14 1b4m h LYS 22 Ca -0.10 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.60 1b4m h LYS 22 Cb 1.81 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 34.11 1b4m h LYS 22 CO 0.18 0.45 -0.30 0.00 -0.57 0.00 0.00 179.45 179.21 1b4m h ALA 23 N 1.55 1.33 0.00 3.86 0.00 -0.48 -2.12 119.26 123.39 1b4m h ALA 23 Ca -0.00 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.44 1b4m h ALA 23 Cb 0.93 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1b4m h ALA 23 CO 0.06 0.47 -1.61 1.28 0.00 0.00 0.00 179.25 179.45 1b4m n LEU 24 N -4.13 0.58 -2.54 0.00 4.77 -1.16 -4.81 117.00 109.70 1b4m n LEU 24 Ca -0.01 0.25 -0.03 0.00 -0.03 0.00 0.00 56.01 56.19 1b4m n LEU 24 Cb 0.38 0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1b4m n LEU 24 CO 0.40 0.13 0.15 -0.67 -1.33 0.00 0.00 177.39 176.06 1b4m n ASP 25 N -2.73 -6.21 -0.08 -1.43 -0.08 -0.32 -4.95 116.55 100.75 1b4m n ASP 25 Ca -0.11 0.16 -0.15 0.00 -1.51 0.00 0.00 54.79 53.18 1b4m n ASP 25 Cb 0.80 -4.12 -0.05 0.00 2.34 0.00 0.00 41.12 40.09 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 -0.97 1.30 -2.01 5.18 3.06 -0.61 -4.98 119.36 120.33 1b4m n ILE 26 Ca 0.04 -0.05 -0.04 0.00 -2.50 0.00 0.00 62.75 60.20 1b4m n ILE 26 Cb 0.42 -1.98 -0.01 0.00 0.54 0.00 0.00 39.64 38.60 1b4m n ILE 26 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 1b4m n ASP 27 N -4.10 -0.71 0.00 9.51 -0.08 -1.26 -5.11 116.55 114.80 1b4m n ASP 27 Ca -0.27 -1.40 0.00 0.00 -1.51 0.00 0.00 54.79 51.61 1b4m n ASP 27 Cb 0.60 0.25 0.00 0.00 2.34 0.00 0.00 41.12 44.32 1b4m n ASP 27 CO 0.00 0.00 0.00 2.22 0.12 0.00 0.00 177.20 179.54 1b4m n PHE 28 N -0.24 0.00 -0.53 -0.67 1.16 -1.26 -4.44 117.46 111.47 1b4m n PHE 28 Ca -0.16 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.42 1b4m n PHE 28 Cb 0.59 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.46 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 0.00 -0.41 -0.00 1.98 0.00 -1.26 -5.06 120.51 115.76 1b4m n ALA 29 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1b4m n ALA 29 Cb 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 19.45 19.39 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 -0.42 0.02 -1.45 0.00 -1.04 -1.26 -5.04 114.28 105.10 1b4m n THR 30 Ca 0.00 -0.01 -0.60 0.00 -2.04 0.00 0.00 64.05 61.40 1b4m n THR 30 Cb 0.18 -1.26 -0.10 0.00 -1.82 0.00 0.00 70.33 67.33 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 -2.89 0.29 0.00 -2.82 0.00 -1.26 -4.09 116.66 105.88 1b4m n ARG 31 Ca -0.01 0.09 0.00 0.00 -0.00 0.00 0.00 57.85 57.93 1b4m n ARG 31 Cb 0.51 -1.71 0.00 0.00 -0.00 0.00 0.00 32.46 31.26 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 6.53 0.00 0.00 2.89 4.81 -1.26 -4.96 118.16 126.17 1b4m n LYS 32 Ca 0.44 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.88 1b4m n LYS 32 Cb 0.01 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.06 1b4m n LYS 32 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 1b4m n ILE 33 N 0.00 0.00 -0.87 3.15 -6.64 -1.26 -4.66 119.36 109.08 1b4m n ILE 33 Ca 0.00 -0.35 0.08 0.00 -1.77 0.00 0.00 62.75 60.71 1b4m n ILE 33 Cb 0.00 0.93 0.38 0.00 -1.44 0.00 0.00 39.64 39.51 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 -0.84 3.65 -0.33 -1.28 0.00 -1.26 -4.34 120.51 116.11 1b4m n ALA 34 Ca 0.00 -1.92 0.21 0.00 0.00 0.00 0.00 53.44 51.72 1b4m n ALA 34 Cb 0.00 -1.05 0.47 0.00 0.00 0.00 0.00 19.45 18.87 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 3.73 0.55 -1.47 0.00 2.07 -1.94 -3.43 116.25 115.77 1b4m h VAL 35 Ca 0.00 -0.16 0.13 0.00 0.82 0.00 0.00 66.70 67.49 1b4m h VAL 35 Cb 1.83 0.04 -0.23 0.00 -1.52 0.00 0.00 31.29 31.41 1b4m h VAL 35 CO 0.42 0.09 0.65 -0.60 0.02 0.00 0.00 177.57 178.14 1b4m s ARG 36 N -5.57 0.47 0.00 1.57 6.06 -1.26 -4.79 118.95 115.42 1b4m s ARG 36 Ca -0.09 0.08 0.00 0.00 -2.50 0.00 0.00 55.73 53.22 1b4m s ARG 36 Cb 0.25 0.22 0.00 0.00 0.06 0.00 0.00 34.95 35.48 1b4m s ARG 36 CO 0.80 -0.15 0.00 1.47 -2.50 0.00 0.00 175.30 174.91 1b4m n LEU 37 N 0.59 0.00 -0.37 -0.88 -0.00 -1.26 -4.98 117.00 110.10 1b4m n LEU 37 Ca -0.07 0.00 0.38 0.00 -0.00 0.00 0.00 56.01 56.31 1b4m n LEU 37 Cb 0.58 0.00 0.75 0.00 -0.00 0.00 0.00 43.42 44.75 1b4m n LEU 37 CO 0.13 0.00 1.35 0.74 -0.00 0.00 0.00 177.39 179.61 1b4m h THR 38 N 0.00 0.30 -0.28 1.47 2.02 -1.93 -3.15 112.91 111.34 1b4m h THR 38 Ca 0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 1b4m h THR 38 Cb 0.00 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 66.73 1b4m h THR 38 CO 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 175.52 175.88 1b4m n GLN 39 N -4.05 -0.06 -0.01 6.66 10.64 -1.26 -2.10 117.38 127.20 1b4m n GLN 39 Ca 0.28 0.04 -0.00 0.00 -1.83 0.00 0.00 57.00 55.49 1b4m n GLN 39 Cb 1.38 -0.08 -0.00 0.00 -0.86 0.00 0.00 30.24 30.68 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 -0.38 0.00 -1.59 -0.39 -1.04 -1.26 -4.42 114.28 105.20 1b4m n THR 40 Ca 0.00 -0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.70 1b4m n THR 40 Cb 0.01 -0.00 0.06 0.00 -1.82 0.00 0.00 70.33 68.58 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 0.05 2.76 0.14 -2.82 2.36 0.15 -1.50 119.74 120.87 1b4m s LYS 41 Ca 0.01 0.86 0.00 0.00 -2.55 0.00 0.00 55.97 54.29 1b4m s LYS 41 Cb -0.01 -1.98 -0.04 0.00 -1.05 0.00 0.00 37.83 34.75 1b4m s LYS 41 CO 0.00 -1.20 0.02 0.42 1.55 0.00 0.00 175.35 176.14 1b4m s ILE 42 N -3.09 0.37 0.02 5.43 1.01 0.60 -1.41 121.20 124.13 1b4m s ILE 42 Ca 0.59 -1.93 -0.00 0.00 0.00 0.00 0.00 60.65 59.30 1b4m s ILE 42 Cb -0.14 -2.02 -0.02 0.00 0.01 0.00 0.00 42.46 40.29 1b4m s ILE 42 CO 0.55 -0.53 -0.03 -0.51 0.00 0.00 0.00 174.94 174.42 1b4m s ILE 43 N -3.86 0.11 0.00 2.92 2.07 -1.17 0.69 121.20 121.96 1b4m s ILE 43 Ca 0.22 -0.91 0.00 0.00 -1.41 0.00 0.00 60.65 58.55 1b4m s ILE 43 Cb 0.07 -0.26 0.00 0.00 0.13 0.00 0.00 42.46 42.40 1b4m s ILE 43 CO 0.01 -0.50 0.00 0.52 -1.91 0.00 0.00 174.94 173.06 1b4m n VAL 44 N 1.60 0.00 -1.82 4.00 0.31 -0.95 -3.93 118.33 117.53 1b4m n VAL 44 Ca -0.24 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 1b4m n VAL 44 Cb 0.55 -0.72 0.00 0.00 -0.91 0.00 0.00 33.84 32.76 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 -2.48 -0.69 -2.63 5.55 -0.00 -1.26 -4.85 117.38 111.03 1b4m n GLN 45 Ca 0.00 0.66 -0.22 0.00 -0.00 0.00 0.00 57.00 57.44 1b4m n GLN 45 Cb 0.23 -0.48 0.00 0.00 -0.00 0.00 0.00 30.24 29.99 1b4m n GLN 45 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 1b4m n ASP 46 N 1.94 3.64 -2.62 2.61 9.92 -0.07 -4.99 116.55 126.98 1b4m n ASP 46 Ca 0.00 -3.42 -0.05 0.00 -0.53 0.00 0.00 54.79 50.79 1b4m n ASP 46 Cb 0.00 -0.50 -0.04 0.00 -0.64 0.00 0.00 41.12 39.94 1b4m n ASP 46 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1b4m n GLY 47 N -0.30 -5.18 3.96 0.44 0.00 -1.26 -4.20 105.19 98.65 1b4m n GLY 47 Ca 0.30 1.63 0.00 0.00 0.00 0.00 0.00 46.02 47.95 1b4m n GLY 47 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1b4m n ASP 48 N 1.55 0.00 -4.67 1.61 2.03 -1.26 -4.88 116.55 110.93 1b4m n ASP 48 Ca -0.36 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.54 1b4m n ASP 48 Cb 0.56 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.91 1b4m n ASP 48 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1b4m s ASN 49 N 0.00 6.81 -0.03 1.67 2.47 -1.26 0.43 114.94 125.04 1b4m s ASN 49 Ca 0.00 0.99 0.05 0.00 0.42 0.00 0.00 52.86 54.32 1b4m s ASN 49 Cb 0.00 -2.39 -0.01 0.00 -1.45 0.00 0.00 41.25 37.40 1b4m s ASN 49 CO 0.00 -0.29 -0.19 0.12 -3.72 0.00 0.00 177.10 173.02 1b4m s PHE 50 N 1.82 1.76 -0.29 0.43 2.19 -1.15 -0.89 117.98 121.85 1b4m s PHE 50 Ca 0.33 -0.40 -0.02 0.00 0.33 0.00 0.00 56.93 57.18 1b4m s PHE 50 Cb -0.16 -1.15 0.12 0.00 -1.31 0.00 0.00 43.02 40.52 1b4m s PHE 50 CO 0.12 -0.08 0.25 0.15 1.83 0.00 0.00 175.22 177.49 1b4m s LYS 51 N -0.29 0.28 0.55 10.12 1.02 -1.26 -1.98 119.74 128.18 1b4m s LYS 51 Ca 0.04 -0.24 -0.07 0.00 0.02 0.00 0.00 55.97 55.71 1b4m s LYS 51 Cb -0.09 -0.81 -0.03 0.00 -0.52 0.00 0.00 37.83 36.38 1b4m s LYS 51 CO 0.00 -1.02 0.89 0.99 -0.92 0.00 0.00 175.35 175.30 1b4m s THR 52 N 2.29 4.66 -0.26 2.17 2.01 0.13 -2.25 115.64 124.40 1b4m s THR 52 Ca 0.09 0.41 -0.22 0.00 0.31 0.00 0.00 61.69 62.29 1b4m s THR 52 Cb -0.14 -3.81 0.07 0.00 0.01 0.00 0.00 72.50 68.62 1b4m s THR 52 CO -0.33 -0.90 0.67 -0.75 -0.69 0.00 0.00 174.62 172.62 1b4m s LYS 53 N -4.93 0.77 -0.19 4.92 2.20 0.22 0.14 119.74 122.86 1b4m s LYS 53 Ca 0.51 1.00 -0.23 0.00 -0.36 0.00 0.00 55.97 56.89 1b4m s LYS 53 Cb -0.11 0.33 -0.02 0.00 -1.51 0.00 0.00 37.83 36.52 1b4m s LYS 53 CO 0.48 -0.11 0.72 0.99 -0.36 0.00 0.00 175.35 177.08 1b4m s THR 54 N 0.64 4.95 -1.52 3.43 2.01 -1.26 0.22 115.64 124.12 1b4m s THR 54 Ca -0.02 1.39 0.19 0.00 0.31 0.00 0.00 61.69 63.56 1b4m s THR 54 Cb -0.05 -4.03 0.61 0.00 0.01 0.00 0.00 72.50 69.04 1b4m s THR 54 CO -0.04 0.07 1.52 -3.20 -0.69 0.00 0.00 174.62 172.28 1b4m n ASN 55 N 5.17 4.02 -3.84 3.53 4.05 -0.56 -4.51 115.26 123.11 1b4m n ASN 55 Ca 0.01 -2.15 -0.26 0.00 0.45 0.00 0.00 54.58 52.64 1b4m n ASN 55 Cb 0.49 -0.47 0.02 0.00 1.23 0.00 0.00 39.78 41.05 1b4m n ASN 55 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 1b4m n SER 56 N 1.26 -2.62 -0.69 1.20 3.41 -0.89 -4.87 113.62 110.43 1b4m n SER 56 Ca 0.23 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.90 1b4m n SER 56 Cb 0.67 -0.49 0.14 0.00 -0.26 0.00 0.00 64.21 64.27 1b4m n SER 56 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1b4m n THR 57 N -3.27 0.61 0.00 6.66 -2.24 -1.19 -4.73 114.28 110.12 1b4m n THR 57 Ca -0.01 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 60.96 1b4m n THR 57 Cb 0.50 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 69.53 1b4m n THR 57 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1b4m n PHE 58 N 0.75 0.00 -3.94 4.78 3.01 -1.26 -5.05 117.46 115.75 1b4m n PHE 58 Ca 0.12 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.22 1b4m n PHE 58 Cb 0.42 0.00 -0.12 0.00 -0.01 0.00 0.00 39.48 39.77 1b4m n PHE 58 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1b4m s ARG 59 N -0.12 3.68 -0.49 -1.08 0.52 -1.26 -4.95 118.95 115.25 1b4m s ARG 59 Ca 0.00 -0.48 0.08 0.00 -0.52 0.00 0.00 55.73 54.81 1b4m s ARG 59 Cb 0.00 -3.20 0.32 0.00 0.52 0.00 0.00 34.95 32.59 1b4m s ARG 59 CO 0.00 -0.03 0.80 0.09 0.02 0.00 0.00 175.30 176.18 1b4m n ASN 60 N 4.42 2.62 -1.42 0.23 4.13 -1.26 -4.12 115.26 119.86 1b4m n ASN 60 Ca -0.17 -3.31 0.07 0.00 1.68 0.00 0.00 54.58 52.86 1b4m n ASN 60 Cb 0.52 -0.60 0.30 0.00 -1.54 0.00 0.00 39.78 38.45 1b4m n ASN 60 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1b4m n TYR 61 N 0.26 1.34 0.00 3.10 4.19 -1.26 -4.99 117.16 119.80 1b4m n TYR 61 Ca 0.28 -0.51 0.00 0.00 3.31 0.00 0.00 57.90 60.98 1b4m n TYR 61 Cb 0.50 -0.27 0.00 0.00 0.49 0.00 0.00 39.34 40.06 1b4m n TYR 61 CO 0.00 0.00 0.00 -0.25 0.91 0.00 0.00 176.86 177.52 1b4m n ASP 62 N 0.77 0.00 -3.36 2.98 8.00 -1.26 -4.72 116.55 118.96 1b4m n ASP 62 Ca 0.21 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.34 1b4m n ASP 62 Cb 0.82 0.00 -0.02 0.00 -0.02 0.00 0.00 41.12 41.89 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 0.02 7.69 -4.31 0.64 7.94 0.37 -4.84 117.00 124.51 1b4m n LEU 63 Ca 0.00 -4.03 -0.45 0.00 -1.11 0.00 0.00 56.01 50.42 1b4m n LEU 63 Cb 0.00 -1.48 -0.06 0.00 0.53 0.00 0.00 43.42 42.41 1b4m n LEU 63 CO 0.00 1.60 0.08 -1.81 -1.11 0.00 0.00 177.39 176.16 1b4m s ASP 64 N 2.63 6.08 0.00 1.96 1.01 -1.24 0.23 116.67 127.34 1b4m s ASP 64 Ca 0.61 -1.72 0.00 0.00 0.71 0.00 0.00 52.55 52.15 1b4m s ASP 64 Cb 0.16 -2.16 0.00 0.00 1.01 0.00 0.00 42.92 41.93 1b4m s ASP 64 CO -0.05 -0.78 0.00 2.22 0.21 0.00 0.00 175.17 176.76 1b4m n PHE 65 N 5.17 0.00 -3.63 4.23 -1.74 -0.84 -5.01 117.46 115.65 1b4m n PHE 65 Ca -0.13 0.00 -0.14 0.00 -0.56 0.00 0.00 57.45 56.62 1b4m n PHE 65 Cb 0.41 0.00 -0.07 0.00 1.52 0.00 0.00 39.48 41.34 1b4m n PHE 65 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 1b4m s THR 66 N 0.94 0.00 0.18 1.97 2.01 -1.26 -2.96 115.64 116.52 1b4m s THR 66 Ca 0.00 -0.01 -0.31 0.00 0.31 0.00 0.00 61.69 61.68 1b4m s THR 66 Cb 0.00 -0.96 -0.10 0.00 0.01 0.00 0.00 72.50 71.46 1b4m s THR 66 CO 0.00 -0.00 1.51 -0.69 -0.69 0.00 0.00 174.62 174.75 1b4m s VAL 67 N 0.13 2.73 -1.83 3.82 1.01 0.17 -2.95 120.40 123.48 1b4m s VAL 67 Ca -0.02 0.54 0.00 0.00 0.00 0.00 0.00 61.98 62.51 1b4m s VAL 67 Cb -0.04 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 32.99 1b4m s VAL 67 CO 0.02 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.79 1b4m n GLY 68 N 3.33 0.78 0.05 4.51 0.00 0.23 -4.83 105.19 109.26 1b4m n GLY 68 Ca 0.12 -0.10 0.11 0.00 0.00 0.00 0.00 46.02 46.15 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 -3.19 0.25 -1.59 1.61 3.14 -1.15 -4.96 118.33 112.43 1b4m n VAL 69 Ca -0.21 -0.35 -0.01 0.00 -2.96 0.00 0.00 64.34 60.82 1b4m n VAL 69 Cb 0.65 0.05 -0.00 0.00 -1.06 0.00 0.00 33.84 33.47 1b4m n VAL 69 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 1b4m n GLU 70 N -2.16 -1.83 -1.11 1.45 2.13 -1.26 -4.86 120.64 112.99 1b4m n GLU 70 Ca 0.01 1.66 -0.23 0.00 0.66 0.00 0.00 57.16 59.26 1b4m n GLU 70 Cb 0.48 -2.15 0.14 0.00 0.27 0.00 0.00 31.44 30.19 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 0.65 2.75 0.00 4.31 7.35 -0.10 -4.96 117.46 127.46 1b4m n PHE 71 Ca -0.04 -1.88 0.00 0.00 -0.76 0.00 0.00 57.45 54.77 1b4m n PHE 71 Cb 0.06 -0.95 0.00 0.00 0.35 0.00 0.00 39.48 38.95 1b4m n PHE 71 CO 0.00 0.00 0.00 -0.40 -0.76 0.00 0.00 176.76 175.60 1b4m n ASP 72 N -0.91 0.00 -0.43 -2.13 5.68 0.30 -4.53 116.55 114.53 1b4m n ASP 72 Ca 0.54 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.83 1b4m n ASP 72 Cb 1.40 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 41.38 1b4m n ASP 72 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1b4m n GLU 73 N 0.00 0.00 -1.32 0.11 2.13 0.30 -4.90 120.64 116.97 1b4m n GLU 73 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1b4m n GLU 73 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1b4m n GLU 73 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 1b4m n HIS 74 N -0.86 0.00 -0.02 4.31 -0.00 -1.26 -4.59 115.22 112.79 1b4m n HIS 74 Ca 0.00 0.00 -0.06 0.00 0.46 0.00 0.00 57.72 58.12 1b4m n HIS 74 Cb 0.00 -1.32 -0.02 0.00 -0.12 0.00 0.00 29.99 28.53 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 -0.18 0.58 -0.48 3.57 -2.24 -1.26 -4.87 114.28 109.39 1b4m n THR 75 Ca 0.00 -0.01 -0.22 0.00 -2.27 0.00 0.00 64.05 61.55 1b4m n THR 75 Cb 0.00 -1.64 -0.04 0.00 -2.10 0.00 0.00 70.33 66.55 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 -3.41 0.00 0.00 -0.78 2.85 -1.26 -3.67 118.16 111.90 1b4m n LYS 76 Ca -0.12 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.14 1b4m n LYS 76 Cb 0.50 -0.54 0.00 0.00 -0.65 0.00 0.00 35.03 34.34 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 2.48 1.52 0.79 2.58 0.00 -1.26 -4.94 105.19 106.35 1b4m n GLY 77 Ca 0.18 -0.12 -0.06 0.00 0.00 0.00 0.00 46.02 46.01 1b4m n GLY 77 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1b4m n LEU 78 N 0.00 0.66 -0.02 0.99 7.94 -1.24 -4.99 117.00 120.34 1b4m n LEU 78 Ca 0.00 0.11 -0.04 0.00 -1.11 0.00 0.00 56.01 54.96 1b4m n LEU 78 Cb 0.00 -0.25 -0.01 0.00 0.53 0.00 0.00 43.42 43.68 1b4m n LEU 78 CO 0.00 -0.01 -0.33 -0.67 -1.11 0.00 0.00 177.39 175.26 1b4m n ASP 79 N -3.40 1.49 -0.22 1.96 2.03 -1.26 -4.71 116.55 112.43 1b4m n ASP 79 Ca -0.12 0.23 0.00 0.00 0.52 0.00 0.00 54.79 55.42 1b4m n ASP 79 Cb 0.50 -0.53 0.00 0.00 -0.72 0.00 0.00 41.12 40.37 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 2.46 0.58 0.00 0.27 0.00 -1.26 -4.95 105.19 102.29 1b4m n GLY 80 Ca -0.07 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.11 0.00 -3.16 1.61 3.00 -1.26 -4.90 116.66 111.83 1b4m n ARG 81 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.85 57.90 1b4m n ARG 81 Cb 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 32.46 32.48 1b4m n ARG 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1b4m s ASN 82 N 1.10 -0.25 0.01 6.15 2.20 -1.26 -4.57 114.94 118.33 1b4m s ASN 82 Ca 0.00 0.18 0.01 0.00 -0.94 0.00 0.00 52.86 52.11 1b4m s ASN 82 Cb 0.00 1.22 -0.01 0.00 -2.00 0.00 0.00 41.25 40.46 1b4m s ASN 82 CO 0.00 -0.05 -0.04 -0.69 -2.94 0.00 0.00 177.10 173.38 1b4m s VAL 83 N 2.86 0.30 0.00 3.54 1.01 -1.26 -4.67 120.40 122.18 1b4m s VAL 83 Ca -0.05 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.39 1b4m s VAL 83 Cb -0.08 -0.33 0.00 0.00 0.00 0.00 0.00 36.38 35.97 1b4m s VAL 83 CO -0.10 -0.16 0.55 1.17 0.00 0.00 0.00 175.10 176.57 1b4m n LYS 84 N 2.32 0.00 -2.25 2.72 3.00 -1.03 0.11 118.16 123.03 1b4m n LYS 84 Ca -0.17 0.55 -0.06 0.00 -0.00 0.00 0.00 58.31 58.63 1b4m n LYS 84 Cb 0.57 -0.95 0.03 0.00 0.00 0.00 0.00 35.03 34.68 1b4m n LYS 84 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1b4m n THR 85 N -1.66 -4.67 -2.86 3.15 -1.04 -1.24 0.11 114.28 106.06 1b4m n THR 85 Ca 0.00 -0.52 -0.40 0.00 -2.04 0.00 0.00 64.05 61.09 1b4m n THR 85 Cb 0.00 -4.63 -0.05 0.00 -1.82 0.00 0.00 70.33 63.83 1b4m n THR 85 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1b4m s LEU 86 N -3.87 4.52 0.05 -4.42 2.96 -1.21 -0.92 118.68 115.80 1b4m s LEU 86 Ca 0.17 1.68 0.04 0.00 -0.22 0.00 0.00 54.13 55.80 1b4m s LEU 86 Cb -0.02 -3.43 -0.04 0.00 0.50 0.00 0.00 46.19 43.20 1b4m s LEU 86 CO 0.33 0.04 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.70 1b4m s VAL 87 N -0.40 4.00 -0.02 1.68 1.01 -1.26 -1.40 120.40 124.01 1b4m s VAL 87 Ca 0.41 -0.85 -0.29 0.00 0.00 0.00 0.00 61.98 61.25 1b4m s VAL 87 Cb -0.23 -2.85 0.08 0.00 0.00 0.00 0.00 36.38 33.38 1b4m s VAL 87 CO 0.27 0.23 0.70 -0.89 0.00 0.00 0.00 175.10 175.42 1b4m s THR 88 N -1.20 0.00 -0.23 3.92 2.01 0.97 0.78 115.64 121.88 1b4m s THR 88 Ca 0.23 0.00 -0.18 0.00 0.31 0.00 0.00 61.69 62.05 1b4m s THR 88 Cb -0.12 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.36 1b4m s THR 88 CO 0.14 0.00 0.50 0.26 -0.69 0.00 0.00 174.62 174.83 1b4m s TRP 89 N -1.76 3.31 0.00 4.92 0.52 -1.26 0.06 118.94 124.73 1b4m s TRP 89 Ca -0.07 0.67 0.00 0.00 0.02 0.00 0.00 56.10 56.72 1b4m s TRP 89 Cb -0.00 -2.68 0.00 0.00 -1.15 0.00 0.00 33.47 29.64 1b4m s TRP 89 CO 0.04 -0.19 0.00 -1.91 0.02 0.00 0.00 176.95 174.91 1b4m n GLU 90 N 5.17 3.43 -0.29 4.98 2.13 0.33 -4.90 120.64 131.49 1b4m n GLU 90 Ca -0.05 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.75 1b4m n GLU 90 Cb 0.50 0.00 0.10 0.00 0.27 0.00 0.00 31.44 32.31 1b4m n GLU 90 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1b4m h GLY 91 N 0.00 1.17 -5.00 8.31 0.00 -1.98 -3.38 103.07 102.18 1b4m h GLY 91 Ca 0.00 -0.39 -0.14 0.00 0.00 0.00 0.00 47.33 46.81 1b4m h GLY 91 CO 0.00 0.32 -0.21 1.16 0.00 0.00 0.00 176.54 177.82 1b4m n ASN 92 N -4.60 -1.90 0.00 0.19 0.23 -1.26 -5.01 115.26 102.91 1b4m n ASN 92 Ca 0.10 -2.48 0.00 0.00 -0.53 0.00 0.00 54.58 51.67 1b4m n ASN 92 Cb 0.10 1.26 0.00 0.00 -2.08 0.00 0.00 39.78 39.06 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 1.27 0.00 -3.20 5.53 5.66 -1.26 -4.71 114.28 117.57 1b4m n THR 93 Ca 0.03 0.00 -0.46 0.00 -3.05 0.00 0.00 64.05 60.57 1b4m n THR 93 Cb 0.69 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.44 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 6.02 -0.08 1.09 2.96 -1.26 0.12 118.68 127.53 1b4m s LEU 94 Ca 0.00 -2.11 -0.03 0.00 -0.22 0.00 0.00 54.13 51.77 1b4m s LEU 94 Cb 0.00 -2.27 -0.04 0.00 0.50 0.00 0.00 46.19 44.39 1b4m s LEU 94 CO 0.00 -0.85 0.07 -0.69 -1.32 0.00 0.00 176.35 173.57 1b4m s VAL 95 N 1.49 4.85 -0.07 1.68 1.01 0.11 -0.78 120.40 128.69 1b4m s VAL 95 Ca 0.16 -0.12 -0.03 0.00 0.00 0.00 0.00 61.98 62.00 1b4m s VAL 95 Cb -0.16 -3.11 0.04 0.00 0.00 0.00 0.00 36.38 33.15 1b4m s VAL 95 CO -0.03 0.55 0.16 0.00 0.00 0.00 0.00 175.10 175.78 1b4m s VAL 97 N 1.44 4.58 -0.88 0.00 -7.23 -0.49 -2.09 120.40 115.72 1b4m s VAL 97 Ca -0.06 -1.81 -0.25 0.00 -1.81 0.00 0.00 61.98 58.05 1b4m s VAL 97 Cb -0.12 -3.97 -0.01 0.00 0.56 0.00 0.00 36.38 32.84 1b4m s VAL 97 CO -0.06 -0.83 1.73 -1.10 -0.31 0.00 0.00 175.10 174.53 1b4m s GLN 98 N 1.27 2.93 -0.93 4.82 1.11 -1.26 -3.33 119.66 124.27 1b4m s GLN 98 Ca 0.06 -0.41 -0.14 0.00 0.01 0.00 0.00 55.36 54.88 1b4m s GLN 98 Cb -0.26 -4.98 0.21 0.00 -1.01 0.00 0.00 33.01 26.97 1b4m s GLN 98 CO -0.00 -2.83 0.95 0.21 0.01 0.00 0.00 175.29 173.63 1b4m s LYS 99 N 6.29 3.77 -0.35 2.91 2.47 -1.26 -4.22 119.74 129.34 1b4m s LYS 99 Ca 0.59 -2.51 0.02 0.00 -1.56 0.00 0.00 55.97 52.51 1b4m s LYS 99 Cb -0.06 -4.59 0.15 0.00 -1.46 0.00 0.00 37.83 31.87 1b4m s LYS 99 CO 0.01 -1.40 0.31 0.20 0.16 0.00 0.00 175.35 174.63 1b4m s GLY 100 N 2.29 0.20 0.00 5.54 0.00 -1.26 -2.47 107.32 111.62 1b4m s GLY 100 Ca 0.25 -1.13 0.00 0.00 0.00 0.00 0.00 44.72 43.84 1b4m s GLY 100 CO -0.08 2.54 0.00 -2.21 0.00 0.00 0.00 173.10 173.34 1b4m n GLU 101 N 4.36 0.00 0.00 2.90 2.13 -1.26 -3.53 120.64 125.25 1b4m n GLU 101 Ca 0.09 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.91 1b4m n GLU 101 Cb 0.43 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.14 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 0.00 -0.85 5.31 0.00 -1.26 -5.06 118.16 116.30 1b4m n LYS 102 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 58.31 57.97 1b4m n LYS 102 Cb 0.00 -0.32 0.10 0.00 0.00 0.00 0.00 35.03 34.81 1b4m n LYS 102 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1b4m n GLU 103 N -2.15 -0.23 -3.56 1.64 0.28 -1.23 -4.96 120.64 110.43 1b4m n GLU 103 Ca 0.00 -0.04 -0.27 0.00 -0.16 0.00 0.00 57.16 56.69 1b4m n GLU 103 Cb 0.00 -1.60 -0.10 0.00 1.43 0.00 0.00 31.44 31.17 1b4m n GLU 103 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1b4m n ASN 104 N 0.08 1.70 -0.22 -1.84 3.02 -1.26 -4.33 115.26 112.41 1b4m n ASN 104 Ca 0.04 -2.93 0.14 0.00 -0.03 0.00 0.00 54.58 51.80 1b4m n ASN 104 Cb 0.55 -0.66 0.54 0.00 -0.61 0.00 0.00 39.78 39.59 1b4m n ASN 104 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1b4m n ARG 105 N 1.95 0.93 -0.97 3.52 5.12 -1.25 -0.21 116.66 125.74 1b4m n ARG 105 Ca 0.25 -0.43 -0.10 0.00 -1.93 0.00 0.00 57.85 55.63 1b4m n ARG 105 Cb 0.42 -1.49 -0.11 0.00 -1.16 0.00 0.00 32.46 30.13 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 1.26 -0.23 3.73 -0.13 0.00 -1.26 -4.13 105.19 104.44 1b4m n GLY 106 Ca 0.15 -0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 3.67 0.27 1.61 -0.00 -0.89 -2.76 118.94 120.84 1b4m s TRP 107 Ca 0.61 1.43 -0.21 0.00 -0.00 0.00 0.00 56.10 57.93 1b4m s TRP 107 Cb -0.39 -2.86 0.02 0.00 -0.00 0.00 0.00 33.47 30.25 1b4m s TRP 107 CO 0.26 0.17 0.70 -1.59 -0.00 0.00 0.00 176.95 176.50 1b4m s LYS 108 N 0.37 1.73 0.31 5.86 -2.85 -1.03 -1.56 119.74 122.57 1b4m s LYS 108 Ca 0.40 -0.94 0.04 0.00 -1.00 0.00 0.00 55.97 54.47 1b4m s LYS 108 Cb -0.20 0.60 -0.06 0.00 -2.06 0.00 0.00 37.83 36.12 1b4m s LYS 108 CO 0.22 -0.79 0.06 -0.65 0.10 0.00 0.00 175.35 174.29 1b4m s GLN 109 N -3.90 1.61 0.00 1.78 -1.52 0.04 -2.27 119.66 115.40 1b4m s GLN 109 Ca 0.10 -1.88 0.00 0.00 -1.95 0.00 0.00 55.36 51.63 1b4m s GLN 109 Cb -0.05 -0.81 0.00 0.00 -0.22 0.00 0.00 33.01 31.93 1b4m s GLN 109 CO 0.05 -0.19 0.15 -2.67 -0.25 0.00 0.00 175.29 172.38 1b4m n TRP 110 N -0.65 0.00 -1.23 0.91 2.14 -1.24 -4.05 117.44 113.32 1b4m n TRP 110 Ca -0.02 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.55 1b4m n TRP 110 Cb 0.66 0.16 0.00 0.00 -0.81 0.00 0.00 31.31 31.32 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 -0.23 -2.49 -1.67 0.31 -1.26 -4.93 118.33 108.05 1b4m n VAL 111 Ca 0.00 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.09 1b4m n VAL 111 Cb 0.34 -0.97 0.01 0.00 -0.91 0.00 0.00 33.84 32.31 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 1.75 3.09 0.00 5.55 1.02 -1.23 -4.99 120.64 125.84 1b4m n GLU 112 Ca 0.00 -4.31 0.00 0.00 -0.02 0.00 0.00 57.16 52.83 1b4m n GLU 112 Cb 0.00 -2.10 0.00 0.00 -0.02 0.00 0.00 31.44 29.32 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 -0.43 0.44 2.27 0.62 0.00 -1.26 -4.82 105.19 102.01 1b4m n GLY 113 Ca 0.35 -1.20 -0.32 0.00 0.00 0.00 0.00 46.02 44.84 1b4m n GLY 113 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1b4m n ASP 114 N 0.00 6.90 -3.56 1.61 9.92 -1.26 -4.90 116.55 125.26 1b4m n ASP 114 Ca 0.00 -3.77 -0.07 0.00 -0.53 0.00 0.00 54.79 50.43 1b4m n ASP 114 Cb 0.00 -0.90 -0.02 0.00 -0.64 0.00 0.00 41.12 39.56 1b4m n ASP 114 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 1b4m s LYS 115 N -3.74 0.82 -0.31 -1.24 -2.85 -1.26 -2.13 119.74 109.03 1b4m s LYS 115 Ca 0.62 -0.34 0.02 0.00 -1.00 0.00 0.00 55.97 55.27 1b4m s LYS 115 Cb 0.50 0.35 0.08 0.00 -2.06 0.00 0.00 37.83 36.70 1b4m s LYS 115 CO 0.01 -0.36 0.00 -1.17 0.10 0.00 0.00 175.35 173.93 1b4m s LEU 116 N -2.55 4.26 -0.24 2.77 0.20 -1.26 -3.49 118.68 118.36 1b4m s LEU 116 Ca 0.07 -1.79 -0.30 0.00 0.69 0.00 0.00 54.13 52.81 1b4m s LEU 116 Cb -0.01 -1.63 -0.07 0.00 -0.43 0.00 0.00 46.19 44.06 1b4m s LEU 116 CO -0.06 -0.32 2.21 -1.22 -0.29 0.00 0.00 176.35 176.67 1b4m n TYR 117 N 4.38 1.90 -2.95 5.38 4.02 -1.26 -4.62 117.16 124.01 1b4m n TYR 117 Ca -0.05 -0.04 -0.43 0.00 -0.01 0.00 0.00 57.90 57.37 1b4m n TYR 117 Cb 0.42 -2.69 0.01 0.00 -0.02 0.00 0.00 39.34 37.06 1b4m n TYR 117 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 176.86 175.74 1b4m n LEU 118 N 11.19 6.33 -4.55 7.72 0.00 -1.26 -3.59 117.00 132.85 1b4m n LEU 118 Ca 0.32 -5.10 -0.43 0.00 0.00 0.00 0.00 56.01 50.80 1b4m n LEU 118 Cb 0.40 -1.33 -0.03 0.00 0.00 0.00 0.00 43.42 42.45 1b4m n LEU 118 CO 0.68 1.59 0.90 -1.61 0.00 0.00 0.00 177.39 178.96 1b4m s GLU 119 N -2.10 3.40 0.18 1.96 2.02 -0.96 -4.18 118.70 119.01 1b4m s GLU 119 Ca 0.32 -0.06 0.07 0.00 0.02 0.00 0.00 54.97 55.32 1b4m s GLU 119 Cb 0.04 -4.05 -0.04 0.00 0.10 0.00 0.00 34.13 30.18 1b4m s GLU 119 CO 0.07 -1.60 0.05 -0.48 0.02 0.00 0.00 175.26 173.32 1b4m s LEU 120 N 4.44 3.48 0.28 1.80 0.05 -1.20 -2.45 118.68 125.08 1b4m s LEU 120 Ca 0.36 -0.33 0.08 0.00 0.05 0.00 0.00 54.13 54.29 1b4m s LEU 120 Cb -0.10 -2.10 -0.04 0.00 -2.05 0.00 0.00 46.19 41.89 1b4m s LEU 120 CO 0.21 0.07 0.11 -0.89 -0.55 0.00 0.00 176.35 175.30 1b4m s THR 121 N -1.82 3.68 -0.48 5.48 2.01 -1.11 -1.22 115.64 122.18 1b4m s THR 121 Ca 0.29 -1.66 0.05 0.00 0.31 0.00 0.00 61.69 60.68 1b4m s THR 121 Cb -0.09 -3.07 0.23 0.00 0.01 0.00 0.00 72.50 69.57 1b4m s THR 121 CO 0.21 -0.31 0.88 0.00 -0.69 0.00 0.00 174.62 174.71 1b4m n GLY 123 N 1.94 -0.86 0.00 0.00 0.00 -0.76 -2.31 105.19 103.20 1b4m n GLY 123 Ca 0.11 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 -1.65 0.00 -4.82 1.61 9.92 -1.26 -4.86 116.55 115.48 1b4m n ASP 124 Ca -0.19 0.00 -0.31 0.00 -0.53 0.00 0.00 54.79 53.76 1b4m n ASP 124 Cb 0.48 0.00 0.06 0.00 -0.64 0.00 0.00 41.12 41.03 1b4m n ASP 124 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 1b4m s GLN 125 N 0.00 2.62 -0.42 -1.24 -1.52 -0.98 -5.04 119.66 113.08 1b4m s GLN 125 Ca 0.00 0.80 0.04 0.00 -1.95 0.00 0.00 55.36 54.25 1b4m s GLN 125 Cb 0.00 -1.97 0.17 0.00 -0.22 0.00 0.00 33.01 30.99 1b4m s GLN 125 CO 0.00 -1.28 0.43 0.08 -0.25 0.00 0.00 175.29 174.26 1b4m s VAL 126 N -3.11 -0.12 0.43 1.09 1.01 -1.26 0.69 120.40 119.13 1b4m s VAL 126 Ca 0.59 -1.88 -0.23 0.00 0.00 0.00 0.00 61.98 60.46 1b4m s VAL 126 Cb -0.14 -0.84 -0.11 0.00 0.00 0.00 0.00 36.38 35.30 1b4m s VAL 126 CO 0.54 -0.81 0.89 0.00 0.00 0.00 0.00 175.10 175.73 1b4m n ARG 128 N 0.18 1.36 -0.79 0.00 0.63 -1.26 -3.27 116.66 113.50 1b4m n ARG 128 Ca 0.10 -3.66 -0.34 0.00 -0.92 0.00 0.00 57.85 53.03 1b4m n ARG 128 Cb 0.40 -1.69 0.12 0.00 0.45 0.00 0.00 32.46 31.74 1b4m n ARG 128 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1b4m n GLN 129 N 0.58 -0.94 -3.80 -0.14 6.02 -1.26 -4.53 117.38 113.32 1b4m n GLN 129 Ca 0.25 -0.26 -0.23 0.00 -0.01 0.00 0.00 57.00 56.75 1b4m n GLN 129 Cb 0.56 -1.49 -0.17 0.00 1.02 0.00 0.00 30.24 30.16 1b4m n GLN 129 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1b4m s VAL 130 N -2.18 0.40 0.57 5.09 1.01 -1.16 -4.66 120.40 119.48 1b4m s VAL 130 Ca 0.50 0.10 0.09 0.00 0.00 0.00 0.00 61.98 62.66 1b4m s VAL 130 Cb -0.07 -0.54 0.08 0.00 0.00 0.00 0.00 36.38 35.85 1b4m s VAL 130 CO 0.67 0.26 0.72 -0.36 0.00 0.00 0.00 175.10 176.39 1b4m s PHE 131 N 1.89 1.41 -0.30 5.22 0.40 -1.20 -3.68 117.98 121.71 1b4m s PHE 131 Ca 0.04 -0.76 -0.13 0.00 -0.60 0.00 0.00 56.93 55.47 1b4m s PHE 131 Cb -0.12 -2.14 0.17 0.00 0.51 0.00 0.00 43.02 41.43 1b4m s PHE 131 CO -0.05 -1.03 0.94 0.21 0.70 0.00 0.00 175.22 175.99 1b4m s LYS 132 N -4.59 0.32 -0.28 0.44 2.36 -0.58 -4.77 119.74 112.64 1b4m s LYS 132 Ca 0.56 0.76 -0.28 0.00 -2.55 0.00 0.00 55.97 54.46 1b4m s LYS 132 Cb -0.05 0.45 -0.06 0.00 -1.05 0.00 0.00 37.83 37.12 1b4m s LYS 132 CO 0.35 -0.16 2.27 1.17 1.55 0.00 0.00 175.35 180.53 1b4m n LYS 133 N 5.13 1.73 -0.40 4.03 4.81 -0.90 -3.39 118.16 129.16 1b4m n LYS 133 Ca -0.08 0.41 0.00 0.00 -0.87 0.00 0.00 58.31 57.77 1b4m n LYS 133 Cb 0.52 -3.24 0.00 0.00 0.02 0.00 0.00 35.03 32.34 1b4m n LYS 133 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74