#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 -2.05 1.12 -1.04 -1.26 -5.04 114.28 106.01 1b4m n THR 2 Ca 0.00 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.74 1b4m n THR 2 Cb 0.00 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.45 1b4m n THR 2 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1b4m s LYS 3 N 1.88 2.48 -1.06 -2.82 0.00 -1.26 -4.82 119.74 114.15 1b4m s LYS 3 Ca 0.00 -0.80 -0.09 0.00 0.00 0.00 0.00 55.97 55.08 1b4m s LYS 3 Cb 0.00 -5.17 0.27 0.00 0.00 0.00 0.00 37.83 32.93 1b4m s LYS 3 CO 0.00 -3.79 1.03 -0.51 0.00 0.00 0.00 175.35 172.09 1b4m s ASP 4 N 7.16 7.10 0.00 0.03 1.01 -1.26 -4.82 116.67 125.89 1b4m s ASP 4 Ca 0.70 -3.52 0.00 0.00 0.71 0.00 0.00 52.55 50.44 1b4m s ASP 4 Cb -0.03 -2.17 0.00 0.00 1.01 0.00 0.00 42.92 41.73 1b4m s ASP 4 CO 0.08 -0.30 0.00 0.00 0.21 0.00 0.00 175.17 175.16 1b4m n GLN 5 N 2.79 0.00 0.00 8.23 6.02 -1.26 -4.93 117.38 128.23 1b4m n GLN 5 Ca 0.22 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 1b4m n GLN 5 Cb 0.40 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.66 1b4m n GLN 5 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1b4m n ASN 6 N -0.96 0.00 0.00 1.08 4.13 -1.26 -4.77 115.26 113.47 1b4m n ASN 6 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1b4m n ASN 6 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 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 0.00 -0.58 3.63 7.41 0.00 -1.14 -5.00 105.19 109.51 1b4m n GLY 7 Ca 0.00 0.19 -0.05 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.29 0.00 -0.09 2.61 2.01 -1.26 -4.03 115.64 114.59 1b4m s THR 8 Ca 0.00 0.00 -0.06 0.00 0.31 0.00 0.00 61.69 61.94 1b4m s THR 8 Cb 0.00 -1.00 0.03 0.00 0.01 0.00 0.00 72.50 71.54 1b4m s THR 8 CO 0.00 0.00 0.23 0.26 -0.69 0.00 0.00 174.62 174.42 1b4m s TRP 9 N -0.36 -0.28 -0.45 4.92 0.52 0.21 -2.05 118.94 121.45 1b4m s TRP 9 Ca 0.05 0.68 0.24 0.00 0.02 0.00 0.00 56.10 57.09 1b4m s TRP 9 Cb -0.03 0.06 1.00 0.00 -1.15 0.00 0.00 33.47 33.35 1b4m s TRP 9 CO -0.09 -0.17 1.72 0.39 0.02 0.00 0.00 176.95 178.81 1b4m n GLU 10 N 3.62 0.20 -3.50 4.98 -0.58 -1.24 0.16 120.64 124.28 1b4m n GLU 10 Ca -0.19 0.44 -0.22 0.00 -0.42 0.00 0.00 57.16 56.76 1b4m n GLU 10 Cb 0.56 -1.89 0.05 0.00 -0.57 0.00 0.00 31.44 29.59 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 -2.26 -2.55 0.00 3.49 0.00 -1.26 -4.10 117.12 110.43 1b4m n MET 11 Ca 0.02 0.67 0.00 0.00 -0.00 0.00 0.00 57.70 58.39 1b4m n MET 11 Cb 0.22 -5.09 0.00 0.00 0.00 0.00 0.00 33.22 28.35 1b4m n MET 11 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 1b4m n GLU 12 N -3.81 0.00 -4.04 2.12 -0.58 -1.23 -4.31 120.64 108.79 1b4m n GLU 12 Ca -0.13 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.51 1b4m n GLU 12 Cb 0.62 0.00 -0.08 0.00 -0.57 0.00 0.00 31.44 31.41 1b4m n GLU 12 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1b4m s SER 13 N -4.47 0.15 -0.18 1.62 0.01 -1.20 -5.08 113.70 104.56 1b4m s SER 13 Ca 0.00 -1.02 -0.10 0.00 1.31 0.00 0.00 55.95 56.14 1b4m s SER 13 Cb 0.00 0.38 0.06 0.00 0.21 0.00 0.00 66.02 66.67 1b4m s SER 13 CO 0.00 -0.83 0.43 0.54 0.41 0.00 0.00 173.24 173.80 1b4m s ASN 14 N -3.00 -0.55 0.69 2.44 4.22 -1.26 -2.88 114.94 114.59 1b4m s ASN 14 Ca 0.20 0.95 -0.03 0.00 -2.14 0.00 0.00 52.86 51.84 1b4m s ASN 14 Cb 0.05 0.83 0.08 0.00 1.28 0.00 0.00 41.25 43.49 1b4m s ASN 14 CO 0.01 -0.20 0.52 -0.62 -2.04 0.00 0.00 177.10 174.77 1b4m n GLU 15 N 4.28 -0.01 0.00 3.55 -0.58 -1.21 -4.81 120.64 121.86 1b4m n GLU 15 Ca -0.23 -1.18 0.00 0.00 -0.42 0.00 0.00 57.16 55.33 1b4m n GLU 15 Cb 0.55 -0.42 0.00 0.00 -0.57 0.00 0.00 31.44 31.01 1b4m n GLU 15 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1b4m n ASN 16 N -3.10 0.00 0.00 1.62 4.13 -1.26 -4.72 115.26 111.93 1b4m n ASN 16 Ca 0.08 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.34 1b4m n ASN 16 Cb 0.28 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.52 1b4m n ASN 16 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 1b4m n PHE 17 N 0.00 0.00 -0.04 3.10 7.35 -1.26 -4.28 117.46 122.33 1b4m n PHE 17 Ca 0.00 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 56.55 1b4m n PHE 17 Cb 0.00 0.00 -0.12 0.00 0.35 0.00 0.00 39.48 39.71 1b4m n PHE 17 CO 0.00 0.00 0.00 1.49 -0.76 0.00 0.00 176.76 177.49 1b4m h GLU 18 N 0.00 0.08 0.00 -4.13 4.22 -1.99 -3.06 114.58 109.70 1b4m h GLU 18 Ca 0.00 -0.09 0.00 0.00 0.08 0.00 0.00 59.36 59.35 1b4m h GLU 18 Cb 0.00 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1b4m h GLU 18 CO 0.00 0.88 0.18 0.78 -2.18 0.00 0.00 179.01 178.67 1b4m h GLY 19 N -0.68 0.00 1.48 1.92 0.00 -1.96 1.33 103.07 105.17 1b4m h GLY 19 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.02 1b4m h GLY 19 CO 0.02 0.00 -1.27 -1.82 0.00 0.00 0.00 176.54 173.47 1b4m h TYR 20 N 0.00 0.70 0.00 5.60 5.03 -1.89 0.80 116.97 127.21 1b4m h TYR 20 Ca 0.00 -0.48 -0.09 0.00 2.58 0.00 0.00 58.73 60.74 1b4m h TYR 20 Cb 0.35 -0.04 -0.01 0.00 1.55 0.00 0.00 36.73 38.58 1b4m h TYR 20 CO 0.00 1.36 -0.43 0.52 -1.32 0.00 0.00 178.16 178.29 1b4m h MET 21 N 0.13 0.00 0.00 1.82 2.86 0.53 -2.88 114.93 117.39 1b4m h MET 21 Ca -0.17 0.00 -0.18 0.00 -2.06 0.00 0.00 59.70 57.29 1b4m h MET 21 Cb 1.98 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 33.61 1b4m h MET 21 CO 0.22 0.43 -0.87 -0.22 1.06 0.00 0.00 176.91 177.53 1b4m h LYS 22 N 0.00 0.00 0.00 1.72 3.11 0.15 0.16 116.57 121.72 1b4m h LYS 22 Ca -0.00 0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 57.75 1b4m h LYS 22 Cb 1.10 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.32 1b4m h LYS 22 CO 0.06 0.87 -0.41 0.00 -2.81 0.00 0.00 179.45 177.16 1b4m h ALA 23 N 1.13 1.18 -0.01 5.00 0.00 0.87 -2.52 119.26 124.90 1b4m h ALA 23 Ca -0.01 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1b4m h ALA 23 Cb 1.67 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.39 1b4m h ALA 23 CO 0.11 0.52 -0.37 1.47 0.00 0.00 0.00 179.25 180.98 1b4m n LEU 24 N -3.86 1.89 -2.99 0.00 -0.00 -1.21 -4.96 117.00 105.87 1b4m n LEU 24 Ca -0.01 -0.78 -0.13 0.00 -0.00 0.00 0.00 56.01 55.09 1b4m n LEU 24 Cb 0.47 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.90 1b4m n LEU 24 CO 0.38 0.35 -0.16 0.47 -0.00 0.00 0.00 177.39 178.43 1b4m n ASP 25 N 0.02 -7.35 -2.29 1.45 8.00 -0.95 -4.87 116.55 110.56 1b4m n ASP 25 Ca 0.08 0.55 -0.30 0.00 0.71 0.00 0.00 54.79 55.83 1b4m n ASP 25 Cb 0.41 -4.30 0.04 0.00 -0.02 0.00 0.00 41.12 37.24 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 0.03 2.96 -1.34 0.53 3.06 0.02 -4.99 119.36 119.63 1b4m n ILE 26 Ca 0.04 -3.96 -0.38 0.00 -2.50 0.00 0.00 62.75 55.96 1b4m n ILE 26 Cb 0.43 -1.18 0.04 0.00 0.54 0.00 0.00 39.64 39.47 1b4m n ILE 26 CO 0.00 0.00 0.00 -0.67 -2.50 0.00 0.00 176.55 173.38 1b4m n ASP 27 N -0.72 -1.91 0.00 9.51 2.03 -1.26 -4.49 116.55 119.71 1b4m n ASP 27 Ca 0.50 0.65 0.00 0.00 0.52 0.00 0.00 54.79 56.46 1b4m n ASP 27 Cb 0.74 -1.09 0.00 0.00 -0.72 0.00 0.00 41.12 40.05 1b4m n ASP 27 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1b4m n PHE 28 N -1.88 0.00 -0.71 -0.67 3.72 -1.26 -4.93 117.46 111.73 1b4m n PHE 28 Ca 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 1b4m n PHE 28 Cb 0.48 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 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 0.00 -0.95 0.07 4.37 0.00 -1.26 -5.02 120.51 117.72 1b4m n ALA 29 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1b4m n ALA 29 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1b4m n ALA 29 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1b4m h THR 30 N 0.00 0.85 -3.28 0.00 2.02 -1.92 -3.47 112.91 107.12 1b4m h THR 30 Ca 0.00 -2.35 -0.06 0.00 0.77 0.00 0.00 66.41 64.77 1b4m h THR 30 Cb 0.32 2.34 0.01 0.00 -1.74 0.00 0.00 68.15 69.07 1b4m h THR 30 CO 0.00 0.48 0.02 -2.11 0.37 0.00 0.00 175.52 174.29 1b4m n ARG 31 N -3.10 0.39 0.00 6.66 -4.01 -1.26 -4.47 116.66 110.87 1b4m n ARG 31 Ca -0.04 -0.33 0.00 0.00 -1.04 0.00 0.00 57.85 56.44 1b4m n ARG 31 Cb 0.83 -0.10 0.00 0.00 -3.04 0.00 0.00 32.46 30.15 1b4m n ARG 31 CO 0.00 0.00 0.00 1.17 -3.04 0.00 0.00 177.63 175.76 1b4m n LYS 32 N -1.26 0.00 -1.97 2.89 4.81 -1.26 -4.52 118.16 116.85 1b4m n LYS 32 Ca 0.02 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.47 1b4m n LYS 32 Cb 0.07 0.00 0.03 0.00 0.02 0.00 0.00 35.03 35.15 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 0.39 -1.56 3.15 -6.64 -1.26 -4.80 119.36 108.65 1b4m n ILE 33 Ca 0.00 -1.45 0.05 0.00 -1.77 0.00 0.00 62.75 59.58 1b4m n ILE 33 Cb 0.00 1.02 0.08 0.00 -1.44 0.00 0.00 39.64 39.30 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 -0.13 2.22 -0.03 -1.28 0.00 -1.26 -4.69 120.51 115.34 1b4m n ALA 34 Ca -0.01 -1.94 -0.17 0.00 0.00 0.00 0.00 53.44 51.32 1b4m n ALA 34 Cb 0.95 -0.45 -0.07 0.00 0.00 0.00 0.00 19.45 19.88 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 3.39 1.29 -0.13 0.00 2.07 -1.93 -3.45 116.25 117.50 1b4m h VAL 35 Ca -0.01 -1.92 0.24 0.00 0.82 0.00 0.00 66.70 65.83 1b4m h VAL 35 Cb 1.21 2.00 -0.18 0.00 -1.52 0.00 0.00 31.29 32.80 1b4m h VAL 35 CO 0.00 0.61 0.04 -0.60 0.02 0.00 0.00 177.57 177.64 1b4m s ARG 36 N -3.77 0.07 0.00 1.57 6.06 -1.26 -4.95 118.95 116.68 1b4m s ARG 36 Ca -0.11 0.06 0.24 0.00 -2.50 0.00 0.00 55.73 53.42 1b4m s ARG 36 Cb 0.08 0.03 0.14 0.00 0.06 0.00 0.00 34.95 35.26 1b4m s ARG 36 CO 0.89 -0.13 1.21 1.47 -2.50 0.00 0.00 175.30 176.24 1b4m n LEU 37 N 4.91 2.74 0.00 -0.88 -0.00 -1.26 -4.92 117.00 117.58 1b4m n LEU 37 Ca 0.10 -0.94 0.00 0.00 -0.00 0.00 0.00 56.01 55.17 1b4m n LEU 37 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.01 1b4m n LEU 37 CO -0.18 0.47 0.00 0.41 -0.00 0.00 0.00 177.39 178.09 1b4m n THR 38 N 0.99 0.00 -4.50 1.47 -1.04 -1.26 -4.96 114.28 104.98 1b4m n THR 38 Ca 0.13 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.93 1b4m n THR 38 Cb 0.56 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 68.93 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 -3.32 0.95 -0.28 -2.82 0.74 -1.26 -4.38 119.66 109.29 1b4m s GLN 39 Ca 0.00 -0.48 0.02 0.00 0.05 0.00 0.00 55.36 54.95 1b4m s GLN 39 Cb 0.00 -0.93 0.17 0.00 1.10 0.00 0.00 33.01 33.36 1b4m s GLN 39 CO 0.00 0.25 0.50 0.99 -0.55 0.00 0.00 175.29 176.48 1b4m s THR 40 N -0.38 -0.82 -0.29 -0.34 2.01 -1.26 -4.55 115.64 110.02 1b4m s THR 40 Ca 0.04 -0.10 -0.14 0.00 0.31 0.00 0.00 61.69 61.79 1b4m s THR 40 Cb -0.05 -0.96 -0.03 0.00 0.01 0.00 0.00 72.50 71.46 1b4m s THR 40 CO -0.00 -0.11 0.34 -0.75 -0.69 0.00 0.00 174.62 173.41 1b4m s LYS 41 N 2.70 3.91 0.18 4.92 2.36 0.42 -0.78 119.74 133.44 1b4m s LYS 41 Ca 0.13 -0.12 0.05 0.00 -2.55 0.00 0.00 55.97 53.49 1b4m s LYS 41 Cb -0.13 -3.69 -0.04 0.00 -1.05 0.00 0.00 37.83 32.92 1b4m s LYS 41 CO -0.24 -0.32 0.14 0.42 1.55 0.00 0.00 175.35 176.90 1b4m s ILE 42 N 2.01 4.45 0.00 5.43 1.09 0.36 -0.62 121.20 133.92 1b4m s ILE 42 Ca 0.13 -1.15 0.03 0.00 -1.10 0.00 0.00 60.65 58.56 1b4m s ILE 42 Cb -0.16 -3.29 -0.01 0.00 -1.06 0.00 0.00 42.46 37.94 1b4m s ILE 42 CO 0.11 -0.15 -0.11 -0.51 -0.10 0.00 0.00 174.94 174.18 1b4m s ILE 43 N -1.82 0.83 -0.38 2.92 2.07 -1.26 0.15 121.20 123.71 1b4m s ILE 43 Ca 0.31 -0.54 0.02 0.00 -1.41 0.00 0.00 60.65 59.04 1b4m s ILE 43 Cb -0.10 -0.71 0.16 0.00 0.13 0.00 0.00 42.46 41.94 1b4m s ILE 43 CO 0.23 0.17 0.30 -0.69 -1.91 0.00 0.00 174.94 173.04 1b4m s VAL 44 N -0.37 0.16 -0.10 4.00 1.01 -0.76 -2.88 120.40 121.46 1b4m s VAL 44 Ca 0.03 -2.07 -0.17 0.00 0.00 0.00 0.00 61.98 59.77 1b4m s VAL 44 Cb -0.05 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 1b4m s VAL 44 CO -0.00 -1.05 0.45 -1.58 0.00 0.00 0.00 175.10 172.91 1b4m s GLN 45 N 0.62 4.27 0.00 2.72 -0.44 -1.26 -0.66 119.66 124.91 1b4m s GLN 45 Ca 0.25 0.40 0.00 0.00 -2.50 0.00 0.00 55.36 53.52 1b4m s GLN 45 Cb -0.09 -3.40 0.00 0.00 -1.64 0.00 0.00 33.01 27.87 1b4m s GLN 45 CO -0.09 0.25 0.00 -3.47 0.50 0.00 0.00 175.29 172.48 1b4m n ASP 46 N 3.38 0.00 0.00 6.67 2.03 -1.01 -4.72 116.55 122.89 1b4m n ASP 46 Ca -0.09 -0.31 0.00 0.00 0.52 0.00 0.00 54.79 54.91 1b4m n ASP 46 Cb 0.52 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 1b4m n ASP 46 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1b4m n GLY 47 N 0.00 2.01 2.38 0.27 0.00 -1.26 -4.83 105.19 103.77 1b4m n GLY 47 Ca 0.00 -0.79 -0.17 0.00 0.00 0.00 0.00 46.02 45.05 1b4m n GLY 47 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1b4m n ASP 48 N 0.00 -4.89 -2.77 1.61 8.00 -1.26 -4.83 116.55 112.41 1b4m n ASP 48 Ca 0.00 0.20 -0.01 0.00 0.71 0.00 0.00 54.79 55.69 1b4m n ASP 48 Cb 0.00 -4.20 0.02 0.00 -0.02 0.00 0.00 41.12 36.92 1b4m n ASP 48 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1b4m s ASN 49 N -2.19 -0.49 -0.25 -2.24 3.84 -1.26 -4.34 114.94 108.01 1b4m s ASN 49 Ca 0.00 -0.39 -0.06 0.00 0.21 0.00 0.00 52.86 52.62 1b4m s ASN 49 Cb 0.00 0.63 -0.02 0.00 -0.55 0.00 0.00 41.25 41.31 1b4m s ASN 49 CO 0.00 -0.04 0.04 0.12 -2.79 0.00 0.00 177.10 174.43 1b4m s PHE 50 N 1.51 3.05 -0.31 0.43 2.19 -1.23 -2.41 117.98 121.21 1b4m s PHE 50 Ca 0.19 -0.68 0.01 0.00 0.33 0.00 0.00 56.93 56.78 1b4m s PHE 50 Cb 0.06 -2.20 0.10 0.00 -1.31 0.00 0.00 43.02 39.67 1b4m s PHE 50 CO -0.12 -0.45 0.07 0.15 1.83 0.00 0.00 175.22 176.70 1b4m s LYS 51 N 1.55 0.98 -0.11 10.12 1.02 0.16 -3.62 119.74 129.84 1b4m s LYS 51 Ca 0.06 -1.29 -0.30 0.00 0.02 0.00 0.00 55.97 54.46 1b4m s LYS 51 Cb -0.15 -2.38 -0.02 0.00 -0.52 0.00 0.00 37.83 34.76 1b4m s LYS 51 CO 0.01 -0.95 1.09 0.99 -0.92 0.00 0.00 175.35 175.58 1b4m s THR 52 N 1.40 4.56 -0.02 2.17 2.01 0.26 -1.83 115.64 124.20 1b4m s THR 52 Ca 0.09 1.86 0.03 0.00 0.31 0.00 0.00 61.69 63.98 1b4m s THR 52 Cb -0.18 -4.20 -0.00 0.00 0.01 0.00 0.00 72.50 68.13 1b4m s THR 52 CO -0.19 -0.04 -0.09 -0.75 -0.69 0.00 0.00 174.62 172.86 1b4m s LYS 53 N 2.38 0.87 -0.05 4.92 2.20 0.38 0.22 119.74 130.65 1b4m s LYS 53 Ca 0.51 -0.33 -0.04 0.00 -0.36 0.00 0.00 55.97 55.74 1b4m s LYS 53 Cb -0.20 -0.83 -0.04 0.00 -1.51 0.00 0.00 37.83 35.25 1b4m s LYS 53 CO 0.17 0.17 0.16 -0.08 -0.36 0.00 0.00 175.35 175.41 1b4m s THR 54 N -0.05 5.45 -0.30 3.43 -1.32 -1.26 0.13 115.64 121.72 1b4m s THR 54 Ca 0.01 -0.02 0.07 0.00 -1.21 0.00 0.00 61.69 60.54 1b4m s THR 54 Cb -0.06 -3.48 0.46 0.00 -1.51 0.00 0.00 72.50 67.91 1b4m s THR 54 CO -0.00 0.44 1.27 -3.20 -2.21 0.00 0.00 174.62 170.92 1b4m n ASN 55 N 1.35 4.38 -4.44 8.08 2.85 0.04 -4.68 115.26 122.83 1b4m n ASN 55 Ca -0.14 -3.79 -0.44 0.00 -0.11 0.00 0.00 54.58 50.10 1b4m n ASN 55 Cb 0.53 -0.44 -0.07 0.00 1.24 0.00 0.00 39.78 41.04 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 -3.34 6.20 0.26 1.20 0.01 -1.26 -4.64 113.70 112.12 1b4m s SER 56 Ca 0.49 -0.95 -0.07 0.00 1.31 0.00 0.00 55.95 56.74 1b4m s SER 56 Cb 0.41 -2.24 0.47 0.00 0.21 0.00 0.00 66.02 64.87 1b4m s SER 56 CO 0.01 -0.73 1.60 0.74 0.41 0.00 0.00 173.24 175.27 1b4m h THR 57 N 5.79 0.19 -0.98 1.44 2.02 -1.93 0.82 112.91 120.26 1b4m h THR 57 Ca -0.27 -0.01 0.22 0.00 0.77 0.00 0.00 66.41 67.11 1b4m h THR 57 Cb 1.10 0.15 -0.09 0.00 -1.74 0.00 0.00 68.15 67.57 1b4m h THR 57 CO 0.89 0.01 0.62 2.19 0.37 0.00 0.00 175.52 179.60 1b4m h PHE 58 N 0.04 0.77 -1.29 3.16 -5.15 -1.93 -3.41 116.94 109.12 1b4m h PHE 58 Ca 0.45 0.02 0.14 0.00 -0.20 0.00 0.00 57.97 58.39 1b4m h PHE 58 Cb 0.79 -0.23 -0.25 0.00 0.22 0.00 0.00 35.95 36.47 1b4m h PHE 58 CO -0.54 0.16 0.29 1.03 -2.00 0.00 0.00 178.31 177.24 1b4m s ARG 59 N -5.60 0.34 -0.80 6.09 0.52 0.28 -5.07 118.95 114.72 1b4m s ARG 59 Ca -0.09 0.72 0.02 0.00 -0.52 0.00 0.00 55.73 55.86 1b4m s ARG 59 Cb 0.24 0.28 0.20 0.00 0.52 0.00 0.00 34.95 36.19 1b4m s ARG 59 CO 0.79 -0.09 0.66 0.09 0.02 0.00 0.00 175.30 176.77 1b4m n ASN 60 N 4.38 3.67 -0.07 0.23 3.02 -1.18 -4.29 115.26 121.03 1b4m n ASN 60 Ca -0.14 -3.20 -0.10 0.00 -0.03 0.00 0.00 54.58 51.11 1b4m n ASN 60 Cb 0.55 -0.89 -0.03 0.00 -0.61 0.00 0.00 39.78 38.80 1b4m n ASN 60 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1b4m h TYR 61 N 5.54 0.33 -3.92 3.10 3.20 -1.90 -3.48 116.97 119.84 1b4m h TYR 61 Ca 0.16 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.02 1b4m h TYR 61 Cb 0.76 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.93 1b4m h TYR 61 CO 0.71 0.31 -0.64 -0.25 -1.64 0.00 0.00 178.16 176.65 1b4m n ASP 62 N -4.85 -6.07 -4.48 -2.11 8.00 -1.26 -4.91 116.55 100.87 1b4m n ASP 62 Ca -0.03 1.28 -0.43 0.00 0.71 0.00 0.00 54.79 56.32 1b4m n ASP 62 Cb 0.09 -3.93 -0.03 0.00 -0.02 0.00 0.00 41.12 37.23 1b4m n ASP 62 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1b4m s LEU 63 N -0.77 4.28 -0.40 0.64 2.96 0.59 -4.97 118.68 121.02 1b4m s LEU 63 Ca 0.00 -1.34 0.01 0.00 -0.22 0.00 0.00 54.13 52.58 1b4m s LEU 63 Cb 0.00 -2.46 0.13 0.00 0.50 0.00 0.00 46.19 44.36 1b4m s LEU 63 CO 0.00 -1.39 0.20 -0.62 -1.32 0.00 0.00 176.35 173.22 1b4m s ASP 64 N 3.91 3.67 0.00 3.68 2.15 -1.26 0.91 116.67 129.72 1b4m s ASP 64 Ca 0.31 -2.33 0.00 0.00 0.43 0.00 0.00 52.55 50.96 1b4m s ASP 64 Cb -0.09 -0.92 0.00 0.00 -0.30 0.00 0.00 42.92 41.61 1b4m s ASP 64 CO 0.01 -0.31 0.00 2.22 -0.17 0.00 0.00 175.17 176.92 1b4m n PHE 65 N 3.92 0.00 -3.46 -5.34 -1.74 -1.24 -5.03 117.46 104.57 1b4m n PHE 65 Ca 0.06 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.84 1b4m n PHE 65 Cb 0.37 0.00 -0.03 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 1.48 0.01 0.35 1.97 2.01 -1.26 -3.53 115.64 116.68 1b4m s THR 66 Ca 0.00 -0.10 -0.25 0.00 0.31 0.00 0.00 61.69 61.64 1b4m s THR 66 Cb 0.00 -1.03 -0.09 0.00 0.01 0.00 0.00 72.50 71.39 1b4m s THR 66 CO 0.00 -0.06 1.00 -0.69 -0.69 0.00 0.00 174.62 174.19 1b4m s VAL 67 N -3.71 3.94 0.00 3.82 1.01 -1.26 -3.34 120.40 120.86 1b4m s VAL 67 Ca 0.01 1.57 0.00 0.00 0.00 0.00 0.00 61.98 63.56 1b4m s VAL 67 Cb -0.00 -3.86 0.00 0.00 0.00 0.00 0.00 36.38 32.52 1b4m s VAL 67 CO -0.12 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.68 1b4m n GLY 68 N 0.51 0.70 0.15 4.51 0.00 -0.73 -4.84 105.19 105.50 1b4m n GLY 68 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 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 1.29 -3.75 1.61 2.07 -1.79 -3.49 116.25 112.19 1b4m h VAL 69 Ca 0.00 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.46 1b4m h VAL 69 Cb 0.04 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1b4m h VAL 69 CO 0.00 0.33 -0.41 1.21 0.02 0.00 0.00 177.57 178.72 1b4m n GLU 70 N -4.58 -1.35 -2.15 1.57 2.13 -1.26 -4.77 120.64 110.22 1b4m n GLU 70 Ca -0.04 1.38 -0.30 0.00 0.66 0.00 0.00 57.16 58.86 1b4m n GLU 70 Cb 0.29 -2.55 -0.05 0.00 0.27 0.00 0.00 31.44 29.41 1b4m n GLU 70 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 1b4m s PHE 71 N -0.50 2.05 -0.82 4.31 0.40 -0.72 -4.83 117.98 117.87 1b4m s PHE 71 Ca -0.02 0.18 -0.22 0.00 -0.60 0.00 0.00 56.93 56.26 1b4m s PHE 71 Cb 0.00 -4.14 -0.20 0.00 0.51 0.00 0.00 43.02 39.19 1b4m s PHE 71 CO 0.28 -1.43 1.87 -0.40 0.70 0.00 0.00 175.22 176.24 1b4m n ASP 72 N 13.28 0.69 -2.81 1.36 5.68 -1.26 -0.43 116.55 133.06 1b4m n ASP 72 Ca 0.44 -2.27 -0.00 0.00 -0.50 0.00 0.00 54.79 52.45 1b4m n ASP 72 Cb 0.47 -1.45 0.00 0.00 -1.14 0.00 0.00 41.12 39.00 1b4m n ASP 72 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1b4m n GLU 73 N 7.43 -2.93 -3.14 0.11 1.02 -0.76 -4.89 120.64 117.48 1b4m n GLU 73 Ca 0.34 2.43 0.04 0.00 -0.02 0.00 0.00 57.16 59.95 1b4m n GLU 73 Cb 0.47 -4.63 -0.00 0.00 -0.02 0.00 0.00 31.44 27.26 1b4m n GLU 73 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1b4m s HIS 74 N -1.55 -1.51 0.17 -0.32 2.46 -1.24 -4.67 115.29 108.63 1b4m s HIS 74 Ca 0.01 0.78 0.00 0.00 0.47 0.00 0.00 55.06 56.32 1b4m s HIS 74 Cb -0.00 0.26 0.00 0.00 -0.13 0.00 0.00 32.58 32.71 1b4m s HIS 74 CO 0.65 -0.90 0.00 0.25 -2.47 0.00 0.00 174.74 172.27 1b4m n THR 75 N 5.17 0.71 -0.87 0.89 -2.24 -1.26 -4.96 114.28 111.72 1b4m n THR 75 Ca 0.07 0.23 0.08 0.00 -2.27 0.00 0.00 64.05 62.16 1b4m n THR 75 Cb 0.55 -1.13 -0.02 0.00 -2.10 0.00 0.00 70.33 67.63 1b4m n THR 75 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1b4m n LYS 76 N -3.44 -1.22 0.00 -0.78 5.02 -1.26 -4.72 118.16 111.77 1b4m n LYS 76 Ca 0.00 0.80 0.00 0.00 -2.02 0.00 0.00 58.31 57.09 1b4m n LYS 76 Cb 0.00 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.53 1b4m n LYS 76 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1b4m n GLY 77 N -2.00 1.26 0.47 0.72 0.00 -1.26 -3.51 105.19 100.87 1b4m n GLY 77 Ca 0.00 0.39 -0.18 0.00 0.00 0.00 0.00 46.02 46.24 1b4m n GLY 77 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1b4m h LEU 78 N 0.00 -1.15 0.00 0.99 5.85 -2.03 -3.42 115.31 115.55 1b4m h LEU 78 Ca 0.00 0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.73 1b4m h LEU 78 Cb 0.00 0.34 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1b4m h LEU 78 CO 0.00 -0.69 -0.84 -0.67 -0.34 0.00 0.00 178.44 175.90 1b4m n ASP 79 N -5.29 0.88 -2.20 1.25 2.03 -1.23 -4.72 116.55 107.28 1b4m n ASP 79 Ca -0.13 0.13 -0.00 0.00 0.52 0.00 0.00 54.79 55.31 1b4m n ASP 79 Cb 0.46 -0.31 0.00 0.00 -0.72 0.00 0.00 41.12 40.54 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 2.78 -3.49 0.00 0.27 0.00 -1.26 -4.87 105.19 98.62 1b4m n GLY 80 Ca -0.09 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 0.34 0.26 -2.77 1.61 3.00 -1.26 -4.83 116.66 113.01 1b4m n ARG 81 Ca 0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 57.85 57.82 1b4m n ARG 81 Cb 0.02 0.00 0.01 0.00 0.00 0.00 0.00 32.46 32.49 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 1.00 -1.16 -0.05 6.15 4.22 -1.26 -4.76 114.94 119.08 1b4m s ASN 82 Ca 0.00 -1.30 0.04 0.00 -2.14 0.00 0.00 52.86 49.45 1b4m s ASN 82 Cb 0.00 1.52 0.00 0.00 1.28 0.00 0.00 41.25 44.05 1b4m s ASN 82 CO 0.00 -0.05 -0.16 -0.69 -2.04 0.00 0.00 177.10 174.16 1b4m s VAL 83 N 1.00 1.39 -0.80 3.54 1.01 -1.26 -4.63 120.40 120.65 1b4m s VAL 83 Ca 0.27 -0.67 -0.26 0.00 0.00 0.00 0.00 61.98 61.32 1b4m s VAL 83 Cb 0.03 -1.22 -0.12 0.00 0.00 0.00 0.00 36.38 35.07 1b4m s VAL 83 CO -0.07 0.41 2.35 -0.75 0.00 0.00 0.00 175.10 177.03 1b4m s LYS 84 N 0.24 1.74 -1.22 2.72 2.47 0.42 -1.83 119.74 124.28 1b4m s LYS 84 Ca -0.08 0.41 -0.07 0.00 -1.56 0.00 0.00 55.97 54.67 1b4m s LYS 84 Cb -0.13 -4.81 0.03 0.00 -1.46 0.00 0.00 37.83 31.45 1b4m s LYS 84 CO 0.03 -4.28 2.68 2.41 0.16 0.00 0.00 175.35 176.36 1b4m n THR 85 N 8.64 4.61 -1.90 3.43 -1.04 0.43 0.47 114.28 128.93 1b4m n THR 85 Ca 0.46 -3.49 -0.39 0.00 -2.04 0.00 0.00 64.05 58.59 1b4m n THR 85 Cb 0.44 -2.16 0.02 0.00 -1.82 0.00 0.00 70.33 66.80 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 -1.35 4.02 -0.04 -4.42 0.20 -1.25 -1.75 118.68 114.08 1b4m s LEU 86 Ca 0.60 2.73 0.02 0.00 0.69 0.00 0.00 54.13 58.17 1b4m s LEU 86 Cb 0.22 -4.10 0.01 0.00 -0.43 0.00 0.00 46.19 41.89 1b4m s LEU 86 CO -0.09 -1.23 -0.10 0.54 -0.29 0.00 0.00 176.35 175.17 1b4m s VAL 87 N -1.30 0.93 0.25 1.68 0.11 -1.26 -0.99 120.40 119.83 1b4m s VAL 87 Ca 0.65 -0.40 -0.15 0.00 -2.93 0.00 0.00 61.98 59.15 1b4m s VAL 87 Cb -0.39 -0.85 0.00 0.00 -1.53 0.00 0.00 36.38 33.61 1b4m s VAL 87 CO 0.49 0.30 0.53 -0.89 -3.33 0.00 0.00 175.10 172.20 1b4m s THR 88 N 0.45 0.00 -0.10 5.04 2.01 0.12 -1.77 115.64 121.39 1b4m s THR 88 Ca -0.09 -1.28 -0.09 0.00 0.31 0.00 0.00 61.69 60.54 1b4m s THR 88 Cb -0.12 -2.12 -0.04 0.00 0.01 0.00 0.00 72.50 70.22 1b4m s THR 88 CO 0.02 -0.01 0.20 0.26 -0.69 0.00 0.00 174.62 174.40 1b4m s TRP 89 N -3.99 3.61 -0.24 4.92 0.52 -1.26 -0.08 118.94 122.43 1b4m s TRP 89 Ca 0.19 0.62 -0.13 0.00 0.02 0.00 0.00 56.10 56.81 1b4m s TRP 89 Cb -0.02 -2.05 -0.17 0.00 -1.15 0.00 0.00 33.47 30.09 1b4m s TRP 89 CO 0.08 0.67 -0.09 -1.91 0.02 0.00 0.00 176.95 175.72 1b4m n GLU 90 N 2.11 0.61 0.01 4.98 2.13 0.44 -4.79 120.64 126.12 1b4m n GLU 90 Ca -0.18 0.33 0.00 0.00 0.66 0.00 0.00 57.16 57.97 1b4m n GLU 90 Cb 0.54 -1.59 0.00 0.00 0.27 0.00 0.00 31.44 30.66 1b4m n GLU 90 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1b4m n GLY 91 N 1.56 -0.36 1.68 8.31 0.00 -1.26 -4.90 105.19 110.22 1b4m n GLY 91 Ca -0.44 0.11 0.03 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.25 0.98 -3.63 1.61 0.23 -1.26 -4.85 115.26 106.08 1b4m n ASN 92 Ca 0.00 -2.00 -0.05 0.00 -0.53 0.00 0.00 54.58 51.99 1b4m n ASN 92 Cb 0.00 -0.29 -0.02 0.00 -2.08 0.00 0.00 39.78 37.39 1b4m n ASN 92 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1b4m s THR 93 N -0.54 0.00 -0.99 5.53 -1.32 -1.26 -4.43 115.64 112.64 1b4m s THR 93 Ca 0.31 -0.33 -0.14 0.00 -1.21 0.00 0.00 61.69 60.32 1b4m s THR 93 Cb 0.36 -1.55 0.20 0.00 -1.51 0.00 0.00 72.50 70.01 1b4m s THR 93 CO -0.14 0.00 1.06 -0.22 -2.21 0.00 0.00 174.62 173.11 1b4m s LEU 94 N -2.73 5.88 -0.11 9.08 2.96 -1.26 0.16 118.68 132.67 1b4m s LEU 94 Ca 0.09 -2.76 -0.27 0.00 -0.22 0.00 0.00 54.13 50.97 1b4m s LEU 94 Cb -0.01 -2.30 -0.02 0.00 0.50 0.00 0.00 46.19 44.37 1b4m s LEU 94 CO -0.03 -0.68 0.91 -0.69 -1.32 0.00 0.00 176.35 174.53 1b4m s VAL 95 N 0.84 4.86 -0.05 1.68 1.01 0.89 -2.62 120.40 126.99 1b4m s VAL 95 Ca 0.29 1.84 0.01 0.00 0.00 0.00 0.00 61.98 64.12 1b4m s VAL 95 Cb -0.07 -4.22 0.02 0.00 0.00 0.00 0.00 36.38 32.10 1b4m s VAL 95 CO -0.07 0.06 -0.07 0.00 0.00 0.00 0.00 175.10 175.02 1b4m n VAL 97 N 4.03 2.69 -1.64 0.00 0.31 -0.16 -2.77 118.33 120.79 1b4m n VAL 97 Ca -0.23 -5.13 -0.43 0.00 -0.01 0.00 0.00 64.34 58.54 1b4m n VAL 97 Cb 0.51 -2.25 -0.03 0.00 -0.91 0.00 0.00 33.84 31.16 1b4m n VAL 97 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1b4m s GLN 98 N -1.71 3.28 0.00 5.55 0.74 -1.23 -3.81 119.66 122.47 1b4m s GLN 98 Ca 0.29 2.07 -0.00 0.00 0.05 0.00 0.00 55.36 57.77 1b4m s GLN 98 Cb -0.01 -4.33 -0.01 0.00 1.10 0.00 0.00 33.01 29.75 1b4m s GLN 98 CO -0.10 -1.94 -0.00 0.21 -0.55 0.00 0.00 175.29 172.91 1b4m s LYS 99 N 6.06 0.12 0.00 1.67 2.36 0.18 -3.31 119.74 126.81 1b4m s LYS 99 Ca 0.98 -0.20 0.00 0.00 -2.55 0.00 0.00 55.97 54.20 1b4m s LYS 99 Cb -0.34 0.04 0.00 0.00 -1.05 0.00 0.00 37.83 36.49 1b4m s LYS 99 CO 0.36 -0.02 0.00 0.41 1.55 0.00 0.00 175.35 177.65 1b4m n GLY 100 N 2.55 4.52 5.00 5.54 0.00 -1.25 0.16 105.19 121.71 1b4m n GLY 100 Ca -0.16 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.32 0.00 0.00 1.61 4.07 -1.26 -2.87 120.64 120.86 1b4m n GLU 101 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1b4m n GLU 101 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1b4m n GLU 101 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 1b4m n LYS 102 N 0.00 0.00 -2.08 5.31 -0.00 -1.26 -5.14 118.16 114.99 1b4m n LYS 102 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 58.31 57.94 1b4m n LYS 102 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 35.03 35.04 1b4m n LYS 102 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1b4m s GLU 103 N -0.95 3.48 -0.60 -1.58 2.02 -1.14 -4.95 118.70 114.99 1b4m s GLU 103 Ca 0.00 1.93 0.05 0.00 0.02 0.00 0.00 54.97 56.97 1b4m s GLU 103 Cb 0.00 -2.32 0.18 0.00 0.10 0.00 0.00 34.13 32.09 1b4m s GLU 103 CO 0.00 -0.82 0.47 0.09 0.02 0.00 0.00 175.26 175.01 1b4m n ASN 104 N -0.76 1.84 -1.00 -0.19 3.02 -1.26 -3.89 115.26 113.01 1b4m n ASN 104 Ca 0.09 -2.94 0.12 0.00 -0.03 0.00 0.00 54.58 51.82 1b4m n ASN 104 Cb 0.47 -0.68 0.21 0.00 -0.61 0.00 0.00 39.78 39.17 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 2.14 2.34 -0.87 3.52 5.12 -1.21 0.14 116.66 127.84 1b4m n ARG 105 Ca 0.24 -1.99 -0.08 0.00 -1.93 0.00 0.00 57.85 54.08 1b4m n ARG 105 Cb 0.40 -1.49 -0.09 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 1.41 -0.19 3.72 -0.13 0.00 -1.25 -3.98 105.19 104.77 1b4m n GLY 106 Ca 0.17 -0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 3.43 0.08 1.61 -2.14 -1.12 -1.58 118.94 119.22 1b4m s TRP 107 Ca 0.51 0.50 -0.19 0.00 2.66 0.00 0.00 56.10 59.57 1b4m s TRP 107 Cb -0.33 -2.29 0.04 0.00 -3.10 0.00 0.00 33.47 27.80 1b4m s TRP 107 CO 0.22 0.23 0.46 -1.59 -2.66 0.00 0.00 176.95 173.61 1b4m s LYS 108 N 0.51 1.03 0.35 3.25 -2.85 -0.81 -2.64 119.74 118.60 1b4m s LYS 108 Ca 0.14 -0.42 0.08 0.00 -1.00 0.00 0.00 55.97 54.77 1b4m s LYS 108 Cb -0.12 0.46 -0.05 0.00 -2.06 0.00 0.00 37.83 36.06 1b4m s LYS 108 CO 0.02 -0.39 0.09 -0.65 0.10 0.00 0.00 175.35 174.53 1b4m s GLN 109 N -2.95 2.21 -0.31 1.78 -1.52 -1.08 -1.81 119.66 115.99 1b4m s GLN 109 Ca -0.02 -1.70 -0.11 0.00 -1.95 0.00 0.00 55.36 51.58 1b4m s GLN 109 Cb -0.00 -2.03 0.19 0.00 -0.22 0.00 0.00 33.01 30.95 1b4m s GLN 109 CO -0.06 0.08 1.06 1.67 -0.25 0.00 0.00 175.29 177.79 1b4m s TRP 110 N -2.50 -0.38 -0.94 0.91 -2.14 -1.25 -4.15 118.94 108.48 1b4m s TRP 110 Ca 0.37 0.16 -0.25 0.00 2.66 0.00 0.00 56.10 59.03 1b4m s TRP 110 Cb -0.00 0.07 -0.23 0.00 -3.10 0.00 0.00 33.47 30.21 1b4m s TRP 110 CO 0.21 -0.24 2.45 0.28 -2.66 0.00 0.00 176.95 176.99 1b4m n VAL 111 N 4.49 0.00 -2.45 -0.66 0.31 -1.26 -4.20 118.33 114.56 1b4m n VAL 111 Ca 0.08 -0.09 -0.38 0.00 -0.01 0.00 0.00 64.34 63.94 1b4m n VAL 111 Cb 0.60 -0.38 0.02 0.00 -0.91 0.00 0.00 33.84 33.17 1b4m n VAL 111 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1b4m n GLU 112 N 7.47 4.19 0.00 5.55 4.07 -0.97 -4.98 120.64 135.97 1b4m n GLU 112 Ca 0.63 -4.34 0.00 0.00 -0.06 0.00 0.00 57.16 53.39 1b4m n GLU 112 Cb 0.05 -2.36 0.00 0.00 -0.06 0.00 0.00 31.44 29.07 1b4m n GLU 112 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1b4m n GLY 113 N -0.26 0.98 0.72 8.31 0.00 -1.26 -4.32 105.19 109.36 1b4m n GLY 113 Ca 0.46 -1.00 0.09 0.00 0.00 0.00 0.00 46.02 45.57 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 3.54 -3.60 1.61 9.92 -1.26 -4.98 116.55 121.78 1b4m n ASP 114 Ca 0.00 -2.97 -0.10 0.00 -0.53 0.00 0.00 54.79 51.19 1b4m n ASP 114 Cb 0.00 -0.50 -0.02 0.00 -0.64 0.00 0.00 41.12 39.95 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 -2.72 1.42 0.47 -1.24 -2.85 -1.26 -2.16 119.74 111.39 1b4m s LYS 115 Ca 0.39 -0.69 0.08 0.00 -1.00 0.00 0.00 55.97 54.75 1b4m s LYS 115 Cb 0.32 0.58 0.01 0.00 -2.06 0.00 0.00 37.83 36.68 1b4m s LYS 115 CO 0.08 -0.63 0.48 -0.51 0.10 0.00 0.00 175.35 174.87 1b4m s LEU 116 N -2.82 3.24 -0.37 2.77 1.43 -1.26 -2.29 118.68 119.39 1b4m s LEU 116 Ca 0.05 -0.82 0.00 0.00 -1.03 0.00 0.00 54.13 52.33 1b4m s LEU 116 Cb -0.02 -1.90 0.12 0.00 0.03 0.00 0.00 46.19 44.43 1b4m s LEU 116 CO -0.06 -0.87 0.18 -0.31 0.23 0.00 0.00 176.35 175.52 1b4m s TYR 117 N -2.55 1.42 -1.42 0.29 2.02 -1.26 -3.66 117.35 112.20 1b4m s TYR 117 Ca 0.48 -1.88 -0.15 0.00 -0.37 0.00 0.00 57.07 55.16 1b4m s TYR 117 Cb -0.04 -1.50 0.03 0.00 -0.40 0.00 0.00 41.96 40.05 1b4m s TYR 117 CO 0.29 -0.83 2.17 1.28 -1.57 0.00 0.00 175.55 176.90 1b4m n LEU 118 N 4.20 6.58 -4.55 -1.29 4.32 -1.26 -3.90 117.00 121.10 1b4m n LEU 118 Ca 0.05 -4.07 -0.43 0.00 -0.02 0.00 0.00 56.01 51.54 1b4m n LEU 118 Cb 0.38 -1.65 -0.04 0.00 -1.62 0.00 0.00 43.42 40.49 1b4m n LEU 118 CO 0.16 0.96 0.75 -1.61 -1.22 0.00 0.00 177.39 176.43 1b4m s GLU 119 N 3.37 3.44 0.44 3.23 2.02 -0.75 -3.30 118.70 127.16 1b4m s GLU 119 Ca 0.48 -0.03 0.03 0.00 0.02 0.00 0.00 54.97 55.48 1b4m s GLU 119 Cb 0.13 -3.98 -0.02 0.00 0.10 0.00 0.00 34.13 30.36 1b4m s GLU 119 CO -0.07 -1.34 0.08 -0.48 0.02 0.00 0.00 175.26 173.47 1b4m s LEU 120 N 3.85 2.12 0.36 1.80 2.34 -0.56 -1.92 118.68 126.67 1b4m s LEU 120 Ca 0.34 -1.66 0.05 0.00 0.06 0.00 0.00 54.13 52.92 1b4m s LEU 120 Cb -0.11 -0.34 -0.07 0.00 -0.56 0.00 0.00 46.19 45.11 1b4m s LEU 120 CO 0.23 -0.89 0.05 -0.89 -1.06 0.00 0.00 176.35 173.79 1b4m s THR 121 N -3.08 1.38 -0.15 5.48 2.01 -0.62 -2.18 115.64 118.49 1b4m s THR 121 Ca 0.18 -2.00 0.06 0.00 0.31 0.00 0.00 61.69 60.24 1b4m s THR 121 Cb 0.02 -2.82 0.18 0.00 0.01 0.00 0.00 72.50 69.90 1b4m s THR 121 CO 0.11 0.00 0.97 0.00 -0.69 0.00 0.00 174.62 175.01 1b4m n GLY 123 N -0.69 2.37 2.13 0.00 0.00 0.94 -4.34 105.19 105.59 1b4m n GLY 123 Ca -0.10 -0.78 -0.02 0.00 0.00 0.00 0.00 46.02 45.12 1b4m n GLY 123 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1b4m n ASP 124 N 0.53 -0.73 0.00 1.61 5.75 -1.26 -4.77 116.55 117.67 1b4m n ASP 124 Ca 0.00 -1.52 0.00 0.00 -0.01 0.00 0.00 54.79 53.26 1b4m n ASP 124 Cb 0.00 0.48 0.00 0.00 -1.03 0.00 0.00 41.12 40.57 1b4m n ASP 124 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1b4m n GLN 125 N -0.50 0.92 -0.78 0.11 3.00 -1.26 -5.04 117.38 113.82 1b4m n GLN 125 Ca -0.11 -0.96 0.00 0.00 -0.01 0.00 0.00 57.00 55.92 1b4m n GLN 125 Cb 0.64 -0.98 0.00 0.00 0.00 0.00 0.00 30.24 29.90 1b4m n GLN 125 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.06 178.61 1b4m n VAL 126 N -0.23 0.00 -2.07 5.09 3.14 -1.26 -4.81 118.33 118.18 1b4m n VAL 126 Ca 0.00 0.00 -0.39 0.00 -2.96 0.00 0.00 64.34 60.99 1b4m n VAL 126 Cb 0.13 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 32.91 1b4m n VAL 126 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1b4m s ARG 128 N -2.25 0.53 0.39 0.00 1.70 -1.26 -1.50 118.95 116.56 1b4m s ARG 128 Ca 0.57 -0.63 0.05 0.00 -0.47 0.00 0.00 55.73 55.25 1b4m s ARG 128 Cb -0.37 -0.36 -0.07 0.00 -0.57 0.00 0.00 34.95 33.58 1b4m s ARG 128 CO 0.48 0.08 0.03 -0.65 -1.08 0.00 0.00 175.30 174.15 1b4m s GLN 129 N -1.23 1.89 -0.03 3.89 -1.52 -1.21 -3.28 119.66 118.17 1b4m s GLN 129 Ca -0.07 -2.08 -0.03 0.00 -1.95 0.00 0.00 55.36 51.24 1b4m s GLN 129 Cb -0.08 -1.37 0.01 0.00 -0.22 0.00 0.00 33.01 31.35 1b4m s GLN 129 CO 0.00 -0.13 0.08 0.14 -0.25 0.00 0.00 175.29 175.13 1b4m s VAL 130 N -2.91 -0.01 0.47 1.09 -7.23 -1.14 -4.50 120.40 106.17 1b4m s VAL 130 Ca 0.32 0.03 0.03 0.00 -1.81 0.00 0.00 61.98 60.55 1b4m s VAL 130 Cb 0.09 -0.13 -0.01 0.00 0.56 0.00 0.00 36.38 36.89 1b4m s VAL 130 CO 0.16 0.01 0.09 -0.36 -0.31 0.00 0.00 175.10 174.69 1b4m s PHE 131 N 0.23 1.76 -0.30 2.82 0.40 -1.24 -3.22 117.98 118.43 1b4m s PHE 131 Ca -0.02 -1.22 -0.05 0.00 -0.60 0.00 0.00 56.93 55.04 1b4m s PHE 131 Cb -0.03 -1.31 0.17 0.00 0.51 0.00 0.00 43.02 42.36 1b4m s PHE 131 CO -0.01 -0.15 0.68 0.21 0.70 0.00 0.00 175.22 176.65 1b4m s LYS 132 N -3.75 0.52 -0.81 0.44 2.47 -1.26 -4.72 119.74 112.63 1b4m s LYS 132 Ca 0.13 1.05 -0.24 0.00 -1.56 0.00 0.00 55.97 55.35 1b4m s LYS 132 Cb 0.01 0.60 -0.16 0.00 -1.46 0.00 0.00 37.83 36.82 1b4m s LYS 132 CO 0.09 -0.43 2.39 1.17 0.16 0.00 0.00 175.35 178.72 1b4m n LYS 133 N 5.41 0.50 -0.70 4.03 4.81 -0.92 -3.68 118.16 127.61 1b4m n LYS 133 Ca -0.05 -0.79 0.00 0.00 -0.87 0.00 0.00 58.31 56.60 1b4m n LYS 133 Cb 0.51 -3.45 0.00 0.00 0.02 0.00 0.00 35.03 32.10 1b4m n LYS 133 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74