#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b4m n THR 2 N 0.00 0.00 -3.80 2.03 -2.24 -1.26 -5.03 114.28 103.98 1b4m n THR 2 Ca 0.00 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.46 1b4m n THR 2 Cb 0.00 -0.16 -0.10 0.00 -2.10 0.00 0.00 70.33 67.97 1b4m n THR 2 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 1b4m s LYS 3 N -1.46 2.68 -0.30 -0.78 -2.85 -1.26 -4.80 119.74 110.96 1b4m s LYS 3 Ca 0.00 -3.13 -0.09 0.00 -1.00 0.00 0.00 55.97 51.75 1b4m s LYS 3 Cb 0.00 -3.62 -0.01 0.00 -2.06 0.00 0.00 37.83 32.14 1b4m s LYS 3 CO 0.00 -1.24 0.12 -0.51 0.10 0.00 0.00 175.35 173.82 1b4m s ASP 4 N -0.61 5.41 0.00 0.03 1.11 -1.26 -4.95 116.67 116.40 1b4m s ASP 4 Ca 0.24 -0.48 0.00 0.00 0.18 0.00 0.00 52.55 52.48 1b4m s ASP 4 Cb -0.10 -1.97 0.00 0.00 1.07 0.00 0.00 42.92 41.92 1b4m s ASP 4 CO -0.11 -0.16 0.00 0.00 1.18 0.00 0.00 175.17 176.08 1b4m n GLN 5 N 4.95 0.00 -3.85 8.23 6.02 -1.26 -4.98 117.38 126.49 1b4m n GLN 5 Ca -0.14 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.53 1b4m n GLN 5 Cb 0.49 0.00 -0.06 0.00 1.02 0.00 0.00 30.24 31.69 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 0.00 -1.11 0.00 1.08 4.13 -1.26 -4.85 115.26 113.25 1b4m n ASN 6 Ca 0.00 -0.96 0.00 0.00 1.68 0.00 0.00 54.58 55.30 1b4m n ASN 6 Cb 0.00 -1.23 0.00 0.00 -1.54 0.00 0.00 39.78 37.01 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 -1.11 0.50 0.00 7.41 0.00 -1.23 -4.95 105.19 105.80 1b4m n GLY 7 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1b4m n GLY 7 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1b4m n THR 8 N 0.00 0.00 -3.44 2.61 -1.04 -1.26 -4.39 114.28 106.76 1b4m n THR 8 Ca 0.00 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.76 1b4m n THR 8 Cb 0.00 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 68.40 1b4m n THR 8 CO 0.00 0.00 0.00 0.26 -0.64 0.00 0.00 175.07 174.69 1b4m s TRP 9 N -1.79 0.32 -0.19 -1.42 0.52 0.10 0.15 118.94 116.62 1b4m s TRP 9 Ca 0.00 -1.24 -0.28 0.00 0.02 0.00 0.00 56.10 54.60 1b4m s TRP 9 Cb 0.00 -0.74 -0.05 0.00 -1.15 0.00 0.00 33.47 31.53 1b4m s TRP 9 CO 0.00 -0.87 2.10 -1.21 0.02 0.00 0.00 176.95 176.98 1b4m s GLU 10 N 1.35 3.35 -0.53 4.98 2.02 -1.17 -2.58 118.70 126.12 1b4m s GLU 10 Ca 0.16 2.02 -0.28 0.00 0.02 0.00 0.00 54.97 56.89 1b4m s GLU 10 Cb -0.20 -4.30 -0.29 0.00 0.10 0.00 0.00 34.13 29.44 1b4m s GLU 10 CO -0.06 -1.86 1.83 -0.12 0.02 0.00 0.00 175.26 175.07 1b4m n MET 11 N 8.47 0.25 -0.06 1.61 0.00 -0.80 -3.60 117.12 122.99 1b4m n MET 11 Ca 0.27 -1.41 0.02 0.00 -0.00 0.00 0.00 57.70 56.58 1b4m n MET 11 Cb 0.45 -3.14 0.05 0.00 0.00 0.00 0.00 33.22 30.58 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 7.99 -0.02 -3.88 2.12 2.13 -1.01 -4.21 120.64 123.77 1b4m n GLU 12 Ca 0.45 0.28 -0.11 0.00 0.66 0.00 0.00 57.16 58.44 1b4m n GLU 12 Cb 0.44 -0.44 -0.09 0.00 0.27 0.00 0.00 31.44 31.62 1b4m n GLU 12 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1b4m s SER 13 N -5.01 0.06 -0.34 4.31 0.01 -1.20 -5.06 113.70 106.47 1b4m s SER 13 Ca -0.02 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 56.92 1b4m s SER 13 Cb 0.05 0.23 0.08 0.00 0.21 0.00 0.00 66.02 66.60 1b4m s SER 13 CO 0.14 -0.45 0.06 0.21 0.41 0.00 0.00 173.24 173.61 1b4m s ASN 14 N -1.72 4.91 0.19 2.44 3.84 -1.26 -2.52 114.94 120.82 1b4m s ASN 14 Ca -0.10 -1.74 -0.16 0.00 0.21 0.00 0.00 52.86 51.06 1b4m s ASN 14 Cb -0.05 -1.70 0.17 0.00 -0.55 0.00 0.00 41.25 39.12 1b4m s ASN 14 CO -0.01 -0.37 1.63 -0.08 -2.79 0.00 0.00 177.10 175.49 1b4m h GLU 15 N 7.88 -0.05 -1.98 0.43 4.22 -1.96 -3.44 114.58 119.69 1b4m h GLU 15 Ca -0.14 0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.26 1b4m h GLU 15 Cb 1.04 0.01 -0.19 0.00 0.50 0.00 0.00 28.75 30.11 1b4m h GLU 15 CO 0.57 -0.03 0.23 1.21 -2.18 0.00 0.00 179.01 178.81 1b4m s ASN 16 N -5.20 -0.62 0.10 1.04 2.47 -1.26 -5.01 114.94 106.46 1b4m s ASN 16 Ca -0.14 0.66 0.00 0.00 0.42 0.00 0.00 52.86 53.80 1b4m s ASN 16 Cb 0.17 0.51 0.00 0.00 -1.45 0.00 0.00 41.25 40.48 1b4m s ASN 16 CO 0.72 -0.59 0.00 2.22 -3.72 0.00 0.00 177.10 175.73 1b4m n PHE 17 N 0.85 -0.19 0.17 0.43 -1.74 -1.26 -4.66 117.46 111.05 1b4m n PHE 17 Ca -0.18 0.03 0.02 0.00 -0.56 0.00 0.00 57.45 56.77 1b4m n PHE 17 Cb 0.57 0.05 0.27 0.00 1.52 0.00 0.00 39.48 41.90 1b4m n PHE 17 CO 0.00 0.00 0.00 1.05 -0.56 0.00 0.00 176.76 177.25 1b4m h GLU 18 N 0.00 0.00 0.00 3.97 4.11 -1.97 -2.78 114.58 117.91 1b4m h GLU 18 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.39 1b4m h GLU 18 Cb 0.17 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1b4m h GLU 18 CO 0.00 0.48 -0.18 0.78 0.07 0.00 0.00 179.01 180.17 1b4m h GLY 19 N 1.78 0.00 2.00 1.06 0.00 -1.97 -1.51 103.07 104.43 1b4m h GLY 19 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.19 1b4m h GLY 19 CO 0.06 0.00 -0.64 -1.82 0.00 0.00 0.00 176.54 174.15 1b4m h TYR 20 N 0.00 0.00 0.02 5.60 5.03 -1.76 0.37 116.97 126.23 1b4m h TYR 20 Ca -0.00 0.00 -0.21 0.00 2.58 0.00 0.00 58.73 61.09 1b4m h TYR 20 Cb 0.67 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 38.94 1b4m h TYR 20 CO 0.00 0.64 -0.95 0.52 -1.32 0.00 0.00 178.16 177.05 1b4m h MET 21 N 0.00 0.22 -0.00 1.82 2.86 -1.45 -2.93 114.93 115.45 1b4m h MET 21 Ca -0.01 -0.27 -0.09 0.00 -2.06 0.00 0.00 59.70 57.28 1b4m h MET 21 Cb 1.26 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.99 1b4m h MET 21 CO 0.08 1.02 -0.43 0.87 1.06 0.00 0.00 176.91 179.51 1b4m h LYS 22 N 0.11 0.00 -0.14 1.72 1.79 -1.04 1.09 116.57 120.10 1b4m h LYS 22 Ca -0.06 -0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.19 1b4m h LYS 22 Cb 1.61 -0.00 0.01 0.00 -1.58 0.00 0.00 32.23 32.26 1b4m h LYS 22 CO 0.15 0.43 -0.78 0.00 -1.08 0.00 0.00 179.45 178.17 1b4m h ALA 23 N 1.57 0.35 -0.04 3.86 0.00 -0.84 -3.22 119.26 120.94 1b4m h ALA 23 Ca -0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1b4m h ALA 23 Cb 0.76 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1b4m h ALA 23 CO 0.06 0.70 0.00 1.47 0.00 0.00 0.00 179.25 181.47 1b4m n LEU 24 N -3.92 2.65 -3.09 0.00 -0.00 -1.12 -4.02 117.00 107.50 1b4m n LEU 24 Ca -0.07 -1.02 -0.00 0.00 -0.00 0.00 0.00 56.01 54.92 1b4m n LEU 24 Cb 0.74 -0.01 -0.00 0.00 -0.00 0.00 0.00 43.42 44.15 1b4m n LEU 24 CO 0.52 0.46 -0.08 -0.67 -0.00 0.00 0.00 177.39 177.63 1b4m n ASP 25 N 1.10 -7.49 0.00 1.45 2.03 0.34 -4.97 116.55 109.02 1b4m n ASP 25 Ca 0.12 0.88 0.00 0.00 0.52 0.00 0.00 54.79 56.31 1b4m n ASP 25 Cb 0.49 -1.56 0.00 0.00 -0.72 0.00 0.00 41.12 39.33 1b4m n ASP 25 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1b4m n ILE 26 N 2.35 0.00 -3.73 5.18 0.13 0.58 -4.96 119.36 118.91 1b4m n ILE 26 Ca -0.00 0.00 -0.13 0.00 -1.10 0.00 0.00 62.75 61.52 1b4m n ILE 26 Cb 0.08 -0.73 -0.10 0.00 -0.84 0.00 0.00 39.64 38.05 1b4m n ILE 26 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1b4m s ASP 27 N -4.32 -0.37 -1.52 9.51 -1.08 -1.26 -5.04 116.67 112.59 1b4m s ASP 27 Ca 0.00 0.62 -0.12 0.00 -0.52 0.00 0.00 52.55 52.53 1b4m s ASP 27 Cb 0.00 0.68 -0.00 0.00 -1.46 0.00 0.00 42.92 42.13 1b4m s ASP 27 CO 0.00 -0.24 2.53 0.49 0.52 0.00 0.00 175.17 178.48 1b4m n PHE 28 N 2.39 2.99 -2.08 -5.34 3.72 -1.26 -4.39 117.46 113.48 1b4m n PHE 28 Ca -0.15 -3.01 -0.01 0.00 -0.05 0.00 0.00 57.45 54.22 1b4m n PHE 28 Cb 0.57 -2.47 0.00 0.00 -0.94 0.00 0.00 39.48 36.64 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 4.72 -2.28 -0.03 4.37 0.00 -1.26 -4.99 120.51 121.04 1b4m n ALA 29 Ca 0.63 0.16 -0.17 0.00 0.00 0.00 0.00 53.44 54.07 1b4m n ALA 29 Cb 0.31 -0.90 -0.07 0.00 0.00 0.00 0.00 19.45 18.79 1b4m n ALA 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1b4m h THR 30 N 0.39 1.30 0.00 0.00 1.03 -1.94 -3.44 112.91 110.25 1b4m h THR 30 Ca 0.00 -1.90 0.00 0.00 -0.01 0.00 0.00 66.41 64.50 1b4m h THR 30 Cb 0.79 1.99 0.00 0.00 -1.07 0.00 0.00 68.15 69.86 1b4m h THR 30 CO 0.10 0.60 0.00 0.54 -0.01 0.00 0.00 175.52 176.75 1b4m n ARG 31 N -4.03 0.00 -1.00 0.00 3.00 -1.26 -4.84 116.66 108.54 1b4m n ARG 31 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.77 1b4m n ARG 31 Cb 0.69 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.15 1b4m n ARG 31 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 1b4m n LYS 32 N 0.00 -0.17 0.00 5.56 2.85 -1.26 -4.62 118.16 120.52 1b4m n LYS 32 Ca 0.00 0.04 0.00 0.00 -1.05 0.00 0.00 58.31 57.30 1b4m n LYS 32 Cb 0.00 -3.15 0.00 0.00 -0.65 0.00 0.00 35.03 31.23 1b4m n LYS 32 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1b4m n ILE 33 N -2.87 0.00 -0.78 0.58 -0.00 -1.26 -4.87 119.36 110.17 1b4m n ILE 33 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 62.75 62.55 1b4m n ILE 33 Cb 0.04 -0.42 0.08 0.00 -0.00 0.00 0.00 39.64 39.34 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 -2.45 5.08 -0.28 -1.39 0.00 -1.26 -4.59 120.51 115.62 1b4m n ALA 34 Ca 0.00 -2.12 0.22 0.00 0.00 0.00 0.00 53.44 51.54 1b4m n ALA 34 Cb 0.00 -1.41 0.54 0.00 0.00 0.00 0.00 19.45 18.57 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 0.84 0.59 0.00 0.00 2.07 -1.93 -3.44 116.25 114.38 1b4m h VAL 35 Ca 0.41 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.81 1b4m h VAL 35 Cb 1.52 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1b4m h VAL 35 CO 0.90 0.06 0.00 -1.14 0.02 0.00 0.00 177.57 177.42 1b4m n ARG 36 N -4.52 0.00 -0.00 1.57 0.00 -1.26 -4.96 116.66 107.48 1b4m n ARG 36 Ca 0.22 0.00 0.07 0.00 -0.00 0.00 0.00 57.85 58.14 1b4m n ARG 36 Cb 0.82 0.00 -0.09 0.00 0.00 0.00 0.00 32.46 33.19 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 0.58 0.00 6.15 -0.00 -1.26 -4.95 117.00 117.52 1b4m n LEU 37 Ca 0.00 -0.42 0.00 0.00 -0.00 0.00 0.00 56.01 55.59 1b4m n LEU 37 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1b4m n LEU 37 CO 0.00 0.15 0.00 0.41 -0.00 0.00 0.00 177.39 177.95 1b4m n THR 38 N -1.45 0.00 -3.43 1.47 -1.04 -1.26 -5.14 114.28 103.43 1b4m n THR 38 Ca 0.02 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.62 1b4m n THR 38 Cb 0.25 0.00 -0.10 0.00 -1.82 0.00 0.00 70.33 68.67 1b4m n THR 38 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1b4m s GLN 39 N 0.00 3.49 -0.34 -2.82 0.74 -1.26 -4.53 119.66 114.94 1b4m s GLN 39 Ca 0.00 -0.52 -0.09 0.00 0.05 0.00 0.00 55.36 54.80 1b4m s GLN 39 Cb 0.00 -3.82 0.02 0.00 1.10 0.00 0.00 33.01 30.31 1b4m s GLN 39 CO 0.00 -0.53 0.15 0.99 -0.55 0.00 0.00 175.29 175.34 1b4m s THR 40 N 1.94 4.27 -0.25 -0.34 2.01 -1.26 -1.90 115.64 120.10 1b4m s THR 40 Ca 0.10 -0.81 -0.08 0.00 0.31 0.00 0.00 61.69 61.22 1b4m s THR 40 Cb -0.17 -3.31 -0.03 0.00 0.01 0.00 0.00 72.50 69.00 1b4m s THR 40 CO 0.11 -0.10 0.08 -0.75 -0.69 0.00 0.00 174.62 173.28 1b4m s LYS 41 N 1.52 3.68 0.26 4.92 2.36 -1.06 -2.09 119.74 129.32 1b4m s LYS 41 Ca 0.02 -0.47 0.08 0.00 -2.55 0.00 0.00 55.97 53.06 1b4m s LYS 41 Cb -0.18 -3.36 -0.04 0.00 -1.05 0.00 0.00 37.83 33.20 1b4m s LYS 41 CO 0.05 -0.19 0.08 0.42 1.55 0.00 0.00 175.35 177.26 1b4m s ILE 42 N 1.63 3.89 0.04 5.43 1.09 0.38 0.00 121.20 133.66 1b4m s ILE 42 Ca 0.06 -1.69 0.04 0.00 -1.10 0.00 0.00 60.65 57.97 1b4m s ILE 42 Cb -0.15 -3.09 -0.02 0.00 -1.06 0.00 0.00 42.46 38.14 1b4m s ILE 42 CO 0.04 -0.36 -0.11 -0.51 -0.10 0.00 0.00 174.94 173.90 1b4m s ILE 43 N -2.23 0.88 -0.27 2.92 2.07 -1.26 0.69 121.20 124.00 1b4m s ILE 43 Ca 0.32 -0.98 -0.04 0.00 -1.41 0.00 0.00 60.65 58.54 1b4m s ILE 43 Cb -0.07 -0.84 0.15 0.00 0.13 0.00 0.00 42.46 41.83 1b4m s ILE 43 CO 0.22 -0.12 0.53 -0.69 -1.91 0.00 0.00 174.94 172.98 1b4m s VAL 44 N -0.97 -0.86 -0.09 4.00 1.01 -1.24 -3.54 120.40 118.71 1b4m s VAL 44 Ca -0.02 0.01 0.02 0.00 0.00 0.00 0.00 61.98 61.99 1b4m s VAL 44 Cb -0.08 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 1b4m s VAL 44 CO 0.01 -0.02 -0.15 -1.10 0.00 0.00 0.00 175.10 173.85 1b4m s GLN 45 N 2.76 2.96 -0.28 2.72 -0.21 -1.26 -0.40 119.66 125.95 1b4m s GLN 45 Ca 0.10 -0.71 0.15 0.00 0.02 0.00 0.00 55.36 54.91 1b4m s GLN 45 Cb -0.14 -2.49 0.48 0.00 1.00 0.00 0.00 33.01 31.87 1b4m s GLN 45 CO -0.18 0.39 1.14 -3.47 -2.12 0.00 0.00 175.29 171.05 1b4m n ASP 46 N 3.00 3.23 -1.59 5.90 2.03 -0.91 -4.92 116.55 123.29 1b4m n ASP 46 Ca -0.18 -2.91 0.00 0.00 0.52 0.00 0.00 54.79 52.22 1b4m n ASP 46 Cb 0.52 -0.42 0.00 0.00 -0.72 0.00 0.00 41.12 40.51 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 -0.62 -4.58 5.00 0.27 0.00 -1.26 -4.38 105.19 99.61 1b4m n GLY 47 Ca 0.25 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 1.06 0.00 -4.56 1.61 2.03 -1.26 -4.71 116.55 110.72 1b4m n ASP 48 Ca 0.00 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.91 1b4m n ASP 48 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 1b4m n ASP 48 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 1b4m s ASN 49 N 0.00 6.26 -0.31 1.67 -0.87 -1.26 -0.49 114.94 119.94 1b4m s ASN 49 Ca 0.00 -1.07 -0.14 0.00 -1.57 0.00 0.00 52.86 50.09 1b4m s ASN 49 Cb 0.00 -2.57 -0.03 0.00 -0.02 0.00 0.00 41.25 38.64 1b4m s ASN 49 CO 0.00 -1.72 0.29 0.12 -2.57 0.00 0.00 177.10 173.22 1b4m s PHE 50 N 5.72 3.22 -0.47 2.20 2.19 -1.23 -2.15 117.98 127.47 1b4m s PHE 50 Ca 0.46 0.07 0.03 0.00 0.33 0.00 0.00 56.93 57.81 1b4m s PHE 50 Cb -0.03 -2.53 0.15 0.00 -1.31 0.00 0.00 43.02 39.29 1b4m s PHE 50 CO -0.02 -0.30 0.29 0.15 1.83 0.00 0.00 175.22 177.18 1b4m s LYS 51 N 1.90 1.37 0.63 10.12 1.02 0.47 -3.25 119.74 132.00 1b4m s LYS 51 Ca 0.10 -2.20 -0.16 0.00 0.02 0.00 0.00 55.97 53.73 1b4m s LYS 51 Cb -0.16 -2.31 -0.02 0.00 -0.52 0.00 0.00 37.83 34.82 1b4m s LYS 51 CO 0.11 -1.22 1.13 0.99 -0.92 0.00 0.00 175.35 175.44 1b4m s THR 52 N 0.06 3.09 -0.09 2.17 2.01 -0.79 -3.67 115.64 118.42 1b4m s THR 52 Ca 0.21 0.57 -0.24 0.00 0.31 0.00 0.00 61.69 62.54 1b4m s THR 52 Cb -0.16 -3.12 0.05 0.00 0.01 0.00 0.00 72.50 69.28 1b4m s THR 52 CO -0.06 -0.26 0.56 -1.59 -0.69 0.00 0.00 174.62 172.59 1b4m s LYS 53 N -3.80 0.85 0.12 4.92 0.00 0.22 0.74 119.74 122.80 1b4m s LYS 53 Ca 0.70 0.31 0.05 0.00 0.00 0.00 0.00 55.97 57.03 1b4m s LYS 53 Cb -0.23 0.40 -0.04 0.00 0.00 0.00 0.00 37.83 37.96 1b4m s LYS 53 CO 0.37 -0.22 0.02 -0.08 0.00 0.00 0.00 175.35 175.44 1b4m s THR 54 N -0.79 4.01 -0.37 3.79 -1.32 -1.26 0.14 115.64 119.84 1b4m s THR 54 Ca -0.08 -1.11 0.14 0.00 -1.21 0.00 0.00 61.69 59.42 1b4m s THR 54 Cb -0.02 -2.96 0.42 0.00 -1.51 0.00 0.00 72.50 68.43 1b4m s THR 54 CO 0.06 0.03 0.94 -3.20 -2.21 0.00 0.00 174.62 170.24 1b4m n ASN 55 N 0.25 2.17 0.00 8.08 2.85 -0.89 -4.71 115.26 123.02 1b4m n ASN 55 Ca -0.10 -3.03 0.00 0.00 -0.11 0.00 0.00 54.58 51.34 1b4m n ASN 55 Cb 0.53 -0.53 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1b4m n ASN 55 CO 0.00 0.00 0.00 -1.54 -2.11 0.00 0.00 177.26 173.61 1b4m n SER 56 N -0.09 0.00 0.00 1.20 3.41 -1.26 -4.78 113.62 112.10 1b4m n SER 56 Ca 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 1b4m n SER 56 Cb 0.73 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.68 1b4m n SER 56 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1b4m n THR 57 N 0.00 0.00 0.10 6.66 -1.04 -1.26 -4.92 114.28 113.82 1b4m n THR 57 Ca 0.00 0.00 -0.15 0.00 -2.04 0.00 0.00 64.05 61.86 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 -1.38 -1.66 -1.42 0.04 -1.95 -3.41 116.94 107.16 1b4m h PHE 58 Ca 0.00 0.04 -0.06 0.00 2.80 0.00 0.00 57.97 60.75 1b4m h PHE 58 Cb 0.00 0.59 -0.26 0.00 2.20 0.00 0.00 35.95 38.48 1b4m h PHE 58 CO 0.00 -0.56 -0.39 0.50 -0.60 0.00 0.00 178.31 177.26 1b4m s ARG 59 N -5.83 0.43 -0.54 1.51 3.52 -1.26 -5.09 118.95 111.68 1b4m s ARG 59 Ca -0.16 0.76 -0.10 0.00 -0.13 0.00 0.00 55.73 56.09 1b4m s ARG 59 Cb 0.07 -0.03 0.14 0.00 -1.56 0.00 0.00 34.95 33.56 1b4m s ARG 59 CO 0.62 -0.59 0.43 -0.80 -0.81 0.00 0.00 175.30 174.16 1b4m s ASN 60 N 2.67 5.87 -0.63 -2.12 0.01 -1.26 -4.69 114.94 114.78 1b4m s ASN 60 Ca 0.14 -2.08 -0.02 0.00 -0.71 0.00 0.00 52.86 50.18 1b4m s ASN 60 Cb -0.15 -2.05 0.16 0.00 0.41 0.00 0.00 41.25 39.62 1b4m s ASN 60 CO -0.17 -0.68 0.44 -0.31 -1.51 0.00 0.00 177.10 174.87 1b4m s TYR 61 N 1.11 3.39 0.64 2.20 2.02 -1.26 -4.97 117.35 120.48 1b4m s TYR 61 Ca 0.08 -2.77 -0.08 0.00 -0.37 0.00 0.00 57.07 53.93 1b4m s TYR 61 Cb -0.24 -3.17 0.02 0.00 -0.40 0.00 0.00 41.96 38.16 1b4m s TYR 61 CO -0.01 -0.83 0.98 0.16 -1.57 0.00 0.00 175.55 174.28 1b4m s ASP 62 N 0.55 5.46 -0.91 2.29 1.47 -1.26 -4.66 116.67 119.61 1b4m s ASP 62 Ca 0.17 0.83 -0.01 0.00 1.18 0.00 0.00 52.55 54.72 1b4m s ASP 62 Cb -0.20 -1.72 0.34 0.00 -0.34 0.00 0.00 42.92 40.99 1b4m s ASP 62 CO -0.03 -1.21 1.92 -0.11 0.68 0.00 0.00 175.17 176.42 1b4m n LEU 63 N -2.76 7.39 -4.45 2.11 7.94 0.23 -4.96 117.00 122.50 1b4m n LEU 63 Ca 0.06 -5.07 -0.43 0.00 -1.11 0.00 0.00 56.01 49.45 1b4m n LEU 63 Cb 0.58 -1.09 -0.04 0.00 0.53 0.00 0.00 43.42 43.40 1b4m n LEU 63 CO 0.54 1.89 0.73 -0.62 -1.11 0.00 0.00 177.39 178.83 1b4m s ASP 64 N -1.25 6.18 0.00 1.96 -1.08 -1.21 -1.89 116.67 119.37 1b4m s ASP 64 Ca 0.47 -1.00 0.00 0.00 -0.52 0.00 0.00 52.55 51.49 1b4m s ASP 64 Cb 0.34 -2.41 0.00 0.00 -1.46 0.00 0.00 42.92 39.39 1b4m s ASP 64 CO -0.30 -1.42 0.00 2.22 0.52 0.00 0.00 175.17 176.19 1b4m n PHE 65 N 7.63 0.00 -3.59 -5.34 1.16 -1.20 -5.03 117.46 111.10 1b4m n PHE 65 Ca -0.04 0.00 -0.14 0.00 -1.87 0.00 0.00 57.45 55.39 1b4m n PHE 65 Cb 0.45 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.26 1b4m n PHE 65 CO 0.00 0.00 0.00 0.99 -1.87 0.00 0.00 176.76 175.88 1b4m s THR 66 N 1.20 0.03 0.51 1.97 2.01 -1.25 -3.48 115.64 116.62 1b4m s THR 66 Ca 0.00 -0.24 -0.19 0.00 0.31 0.00 0.00 61.69 61.58 1b4m s THR 66 Cb 0.00 -0.94 -0.08 0.00 0.01 0.00 0.00 72.50 71.49 1b4m s THR 66 CO 0.00 -0.13 1.02 -0.69 -0.69 0.00 0.00 174.62 174.13 1b4m s VAL 67 N -2.12 4.00 -0.36 3.82 1.01 0.36 -3.60 120.40 123.51 1b4m s VAL 67 Ca -0.07 1.12 -0.00 0.00 0.00 0.00 0.00 61.98 63.03 1b4m s VAL 67 Cb -0.01 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.88 1b4m s VAL 67 CO 0.01 -0.39 0.01 0.61 0.00 0.00 0.00 175.10 175.34 1b4m n GLY 68 N -0.71 -0.50 0.38 4.51 0.00 -0.24 -4.72 105.19 103.92 1b4m n GLY 68 Ca 0.08 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.20 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 -2.81 0.00 -2.25 1.61 3.14 -1.24 -5.00 118.33 111.78 1b4m n VAL 69 Ca -0.04 -0.26 -0.04 0.00 -2.96 0.00 0.00 64.34 61.04 1b4m n VAL 69 Cb 0.53 1.20 -0.03 0.00 -1.06 0.00 0.00 33.84 34.48 1b4m n VAL 69 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 1b4m n GLU 70 N -0.26 -3.15 -2.68 1.45 2.13 -1.26 -4.87 120.64 111.99 1b4m n GLU 70 Ca 0.07 2.53 -0.42 0.00 0.66 0.00 0.00 57.16 60.01 1b4m n GLU 70 Cb 0.39 -3.82 -0.03 0.00 0.27 0.00 0.00 31.44 28.25 1b4m n GLU 70 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 1b4m s PHE 71 N -0.49 2.58 -1.16 4.31 5.36 -0.97 -4.92 117.98 122.68 1b4m s PHE 71 Ca -0.19 -0.61 -0.20 0.00 -0.96 0.00 0.00 56.93 54.97 1b4m s PHE 71 Cb 0.01 -4.52 -0.04 0.00 -0.34 0.00 0.00 43.02 38.13 1b4m s PHE 71 CO 0.55 -1.85 1.92 -0.40 -1.46 0.00 0.00 175.22 173.99 1b4m n ASP 72 N 8.40 3.58 -4.61 6.13 5.75 -1.26 0.11 116.55 134.65 1b4m n ASP 72 Ca 0.14 -2.78 -0.53 0.00 -0.01 0.00 0.00 54.79 51.61 1b4m n ASP 72 Cb 0.49 -1.59 -0.06 0.00 -1.03 0.00 0.00 41.12 38.93 1b4m n ASP 72 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 1b4m n GLU 73 N 7.71 1.18 -2.60 0.11 2.13 0.15 -4.90 120.64 124.43 1b4m n GLU 73 Ca 0.48 0.43 -0.15 0.00 0.66 0.00 0.00 57.16 58.58 1b4m n GLU 73 Cb 0.44 -2.08 0.02 0.00 0.27 0.00 0.00 31.44 30.09 1b4m n GLU 73 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 1b4m n HIS 74 N 2.93 1.90 -0.73 4.31 8.25 -1.26 -2.70 115.22 127.92 1b4m n HIS 74 Ca 0.19 -2.88 -0.09 0.00 -0.26 0.00 0.00 57.72 54.69 1b4m n HIS 74 Cb 0.19 -0.28 0.07 0.00 1.12 0.00 0.00 29.99 31.09 1b4m n HIS 74 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 1b4m n THR 75 N -0.22 0.00 0.02 1.59 5.66 -1.26 -4.99 114.28 115.08 1b4m n THR 75 Ca 0.19 -0.16 0.00 0.00 -3.05 0.00 0.00 64.05 61.03 1b4m n THR 75 Cb 0.77 -1.15 0.00 0.00 -1.55 0.00 0.00 70.33 68.40 1b4m n THR 75 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1b4m n LYS 76 N -2.45 0.00 -2.08 1.09 3.00 -1.26 -4.50 118.16 111.96 1b4m n LYS 76 Ca 0.05 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 57.95 1b4m n LYS 76 Cb 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.21 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 -1.36 5.20 0.00 3.14 0.00 -1.26 -2.99 105.19 107.92 1b4m n GLY 77 Ca 0.00 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.93 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 1.93 0.00 0.06 0.99 7.94 -1.26 -5.02 117.00 121.63 1b4m n LEU 78 Ca 0.58 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.48 1b4m n LEU 78 Cb 0.26 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.21 1b4m n LEU 78 CO 0.70 0.00 0.00 -0.67 -1.11 0.00 0.00 177.39 176.31 1b4m n ASP 79 N 0.00 -0.16 -2.91 1.96 -0.08 -1.23 -4.60 116.55 109.53 1b4m n ASP 79 Ca 0.00 0.20 -0.05 0.00 -1.51 0.00 0.00 54.79 53.42 1b4m n ASP 79 Cb 0.00 0.26 0.02 0.00 2.34 0.00 0.00 41.12 43.74 1b4m n ASP 79 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1b4m n GLY 80 N 1.33 -1.01 0.00 0.27 0.00 -1.16 -4.96 105.19 99.65 1b4m n GLY 80 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 -2.21 0.00 0.00 1.61 3.00 -1.26 -5.01 116.66 112.79 1b4m n ARG 81 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.83 1b4m n ARG 81 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.00 1b4m n ARG 81 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1b4m n ASN 82 N -0.32 0.00 -4.94 6.15 3.02 -1.26 -5.02 115.26 112.88 1b4m n ASN 82 Ca 0.00 0.00 -0.24 0.00 -0.03 0.00 0.00 54.58 54.31 1b4m n ASN 82 Cb 0.00 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.18 1b4m n ASN 82 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1b4m s VAL 83 N 0.00 1.85 0.23 2.41 1.01 -1.10 -4.98 120.40 119.82 1b4m s VAL 83 Ca 0.00 -1.33 0.07 0.00 0.00 0.00 0.00 61.98 60.72 1b4m s VAL 83 Cb 0.00 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 1b4m s VAL 83 CO 0.00 0.00 0.09 -0.54 0.00 0.00 0.00 175.10 174.65 1b4m s LYS 84 N -4.39 2.64 -0.49 2.72 1.02 -1.26 0.35 119.74 120.32 1b4m s LYS 84 Ca 0.43 -1.14 0.06 0.00 0.02 0.00 0.00 55.97 55.35 1b4m s LYS 84 Cb -0.03 -2.42 0.21 0.00 -0.52 0.00 0.00 37.83 35.07 1b4m s LYS 84 CO 0.27 0.42 0.73 2.41 -0.92 0.00 0.00 175.35 178.25 1b4m n THR 85 N -0.75 -0.19 -1.75 2.17 -1.04 0.30 -1.81 114.28 111.21 1b4m n THR 85 Ca -0.08 -1.71 -0.39 0.00 -2.04 0.00 0.00 64.05 59.84 1b4m n THR 85 Cb 0.57 0.64 0.04 0.00 -1.82 0.00 0.00 70.33 69.76 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 0.03 3.86 0.06 -4.42 2.96 -0.33 -2.29 118.68 118.55 1b4m s LEU 86 Ca 0.31 2.81 0.05 0.00 -0.22 0.00 0.00 54.13 57.08 1b4m s LEU 86 Cb 0.10 -4.24 -0.03 0.00 0.50 0.00 0.00 46.19 42.52 1b4m s LEU 86 CO -0.14 -1.58 -0.13 -0.69 -1.32 0.00 0.00 176.35 172.48 1b4m s VAL 87 N -1.28 1.03 0.09 1.68 1.01 -1.26 -0.08 120.40 121.59 1b4m s VAL 87 Ca 0.71 -1.20 -0.27 0.00 0.00 0.00 0.00 61.98 61.23 1b4m s VAL 87 Cb -0.41 -0.99 0.08 0.00 0.00 0.00 0.00 36.38 35.05 1b4m s VAL 87 CO 0.49 -0.19 0.93 -0.89 0.00 0.00 0.00 175.10 175.44 1b4m s THR 88 N -1.18 0.00 -0.37 3.92 2.01 0.33 -1.08 115.64 119.28 1b4m s THR 88 Ca -0.02 -0.39 -0.16 0.00 0.31 0.00 0.00 61.69 61.43 1b4m s THR 88 Cb -0.09 -1.59 -0.00 0.00 0.01 0.00 0.00 72.50 70.83 1b4m s THR 88 CO 0.02 0.00 0.42 0.26 -0.69 0.00 0.00 174.62 174.62 1b4m s TRP 89 N -3.21 3.19 0.00 4.92 0.52 -1.25 -1.84 118.94 121.27 1b4m s TRP 89 Ca 0.09 -0.08 -0.21 0.00 0.02 0.00 0.00 56.10 55.92 1b4m s TRP 89 Cb -0.01 -2.79 -0.20 0.00 -1.15 0.00 0.00 33.47 29.32 1b4m s TRP 89 CO -0.03 -0.53 1.16 1.49 0.02 0.00 0.00 176.95 179.07 1b4m h GLU 90 N 8.54 0.33 0.00 4.98 4.57 0.64 -3.47 114.58 130.16 1b4m h GLU 90 Ca -0.28 -0.28 0.00 0.00 -1.18 0.00 0.00 59.36 57.62 1b4m h GLU 90 Cb 1.13 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 1b4m h GLU 90 CO 0.74 0.93 0.00 0.41 -1.18 0.00 0.00 179.01 179.91 1b4m n GLY 91 N 0.76 0.24 2.40 1.92 0.00 -1.26 -4.93 105.19 104.32 1b4m n GLY 91 Ca -0.09 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 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 0.32 0.00 1.61 0.23 -1.26 -4.64 115.26 111.51 1b4m n ASN 92 Ca 0.00 -3.03 0.00 0.00 -0.53 0.00 0.00 54.58 51.02 1b4m n ASN 92 Cb 0.00 -0.12 0.00 0.00 -2.08 0.00 0.00 39.78 37.58 1b4m n ASN 92 CO 0.00 0.00 0.00 1.07 -0.93 0.00 0.00 177.26 177.40 1b4m n THR 93 N 0.18 0.00 1.60 5.53 5.66 -1.26 -4.03 114.28 121.95 1b4m n THR 93 Ca 0.17 0.00 0.10 0.00 -3.05 0.00 0.00 64.05 61.28 1b4m n THR 93 Cb 0.71 0.00 0.48 0.00 -1.55 0.00 0.00 70.33 69.97 1b4m n THR 93 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 1b4m n LEU 94 N 0.00 0.88 0.00 1.09 7.94 -1.22 0.13 117.00 125.82 1b4m n LEU 94 Ca 0.00 -0.36 0.00 0.00 -1.11 0.00 0.00 56.01 54.54 1b4m n LEU 94 Cb 0.00 -0.05 0.00 0.00 0.53 0.00 0.00 43.42 43.90 1b4m n LEU 94 CO 0.00 0.18 0.00 0.52 -1.11 0.00 0.00 177.39 176.98 1b4m n VAL 95 N -0.21 0.00 -4.19 1.96 0.31 -0.77 -3.08 118.33 112.35 1b4m n VAL 95 Ca 0.16 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.30 1b4m n VAL 95 Cb 0.21 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.02 1b4m n VAL 95 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1b4m s VAL 97 N -1.19 1.02 -0.30 0.00 1.01 0.89 -3.83 120.40 118.00 1b4m s VAL 97 Ca -0.02 -0.32 -0.20 0.00 0.00 0.00 0.00 61.98 61.44 1b4m s VAL 97 Cb -0.10 -1.02 -0.01 0.00 0.00 0.00 0.00 36.38 35.25 1b4m s VAL 97 CO 0.02 0.36 0.63 -1.58 0.00 0.00 0.00 175.10 174.53 1b4m s GLN 98 N 1.47 3.91 0.41 2.72 0.74 -1.26 -1.19 119.66 126.47 1b4m s GLN 98 Ca 0.00 0.32 0.20 0.00 0.05 0.00 0.00 55.36 55.94 1b4m s GLN 98 Cb -0.13 -3.72 1.16 0.00 1.10 0.00 0.00 33.01 31.42 1b4m s GLN 98 CO -0.06 -0.56 1.75 -0.22 -0.55 0.00 0.00 175.29 175.65 1b4m h LYS 99 N 8.17 0.33 0.00 1.67 1.63 -1.69 -3.37 116.57 123.31 1b4m h LYS 99 Ca -0.27 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.51 1b4m h LYS 99 Cb 1.12 -0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.67 1b4m h LYS 99 CO 0.80 0.22 0.00 0.41 -3.45 0.00 0.00 179.45 177.43 1b4m n GLY 100 N -1.49 0.89 0.75 5.01 0.00 -1.26 -4.46 105.19 104.64 1b4m n GLY 100 Ca 0.27 0.55 0.00 0.00 0.00 0.00 0.00 46.02 46.84 1b4m n GLY 100 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1b4m n GLU 101 N 0.00 0.00 0.00 1.61 1.02 -1.26 -4.71 120.64 117.29 1b4m n GLU 101 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1b4m n GLU 101 Cb 0.00 -1.29 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 1b4m n GLU 101 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1b4m n LYS 102 N -0.58 0.00 -4.21 3.49 -0.00 -1.26 -5.15 118.16 110.44 1b4m n LYS 102 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 58.31 58.12 1b4m n LYS 102 Cb 0.22 0.00 -0.12 0.00 -0.00 0.00 0.00 35.03 35.13 1b4m n LYS 102 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.40 175.57 1b4m s GLU 103 N 0.00 0.93 -0.64 -1.58 -1.05 -1.26 -4.98 118.70 110.12 1b4m s GLU 103 Ca 0.00 -1.08 -0.26 0.00 -0.15 0.00 0.00 54.97 53.48 1b4m s GLU 103 Cb 0.00 -0.94 0.04 0.00 -0.44 0.00 0.00 34.13 32.79 1b4m s GLU 103 CO 0.00 0.20 1.12 -0.80 0.95 0.00 0.00 175.26 176.74 1b4m s ASN 104 N -2.01 6.28 -0.21 0.83 0.01 -1.26 -4.09 114.94 114.50 1b4m s ASN 104 Ca 0.03 -0.36 0.12 0.00 -0.71 0.00 0.00 52.86 51.94 1b4m s ASN 104 Cb -0.08 -2.51 0.41 0.00 0.41 0.00 0.00 41.25 39.48 1b4m s ASN 104 CO 0.03 -1.53 1.24 -1.14 -1.51 0.00 0.00 177.10 174.19 1b4m n ARG 105 N 8.39 1.59 -3.42 -0.60 3.00 -1.25 0.11 116.66 124.49 1b4m n ARG 105 Ca 0.03 -3.16 -0.37 0.00 -0.00 0.00 0.00 57.85 54.35 1b4m n ARG 105 Cb 0.48 -1.63 -0.06 0.00 0.00 0.00 0.00 32.46 31.25 1b4m n ARG 105 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1b4m s GLY 106 N -3.07 2.33 0.05 5.14 0.00 -1.21 -4.35 107.32 106.21 1b4m s GLY 106 Ca 0.38 -0.30 0.05 0.00 0.00 0.00 0.00 44.72 44.85 1b4m s GLY 106 CO -0.04 0.57 -0.08 0.66 0.00 0.00 0.00 173.10 174.21 1b4m s TRP 107 N 0.39 2.82 0.22 1.90 -2.14 -1.25 -0.83 118.94 120.05 1b4m s TRP 107 Ca 0.22 -0.10 0.05 0.00 2.66 0.00 0.00 56.10 58.93 1b4m s TRP 107 Cb -0.14 -1.53 -0.02 0.00 -3.10 0.00 0.00 33.47 28.68 1b4m s TRP 107 CO 0.08 0.39 0.17 0.36 -2.66 0.00 0.00 176.95 175.29 1b4m n LYS 108 N 1.13 0.31 -3.47 3.25 2.85 0.31 -3.05 118.16 119.49 1b4m n LYS 108 Ca -0.14 -2.12 -0.03 0.00 -1.05 0.00 0.00 58.31 54.97 1b4m n LYS 108 Cb 0.52 1.67 -0.06 0.00 -0.65 0.00 0.00 35.03 36.52 1b4m n LYS 108 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 1b4m s GLN 109 N -2.87 0.46 -0.07 -1.58 0.00 -1.26 -3.39 119.66 110.94 1b4m s GLN 109 Ca 0.24 1.06 0.00 0.00 -0.00 0.00 0.00 55.36 56.66 1b4m s GLN 109 Cb 0.01 0.39 0.02 0.00 0.00 0.00 0.00 33.01 33.44 1b4m s GLN 109 CO 0.17 -0.40 -0.05 1.67 0.00 0.00 0.00 175.29 176.68 1b4m s TRP 110 N 2.74 1.01 -0.39 9.60 -2.14 -1.17 -3.39 118.94 125.21 1b4m s TRP 110 Ca 0.05 -0.38 -0.27 0.00 2.66 0.00 0.00 56.10 58.16 1b4m s TRP 110 Cb -0.13 -0.91 -0.07 0.00 -3.10 0.00 0.00 33.47 29.26 1b4m s TRP 110 CO -0.17 -0.33 2.35 0.28 -2.66 0.00 0.00 176.95 176.42 1b4m n VAL 111 N 4.58 0.08 -1.39 -0.66 0.31 -1.26 -2.69 118.33 117.30 1b4m n VAL 111 Ca -0.16 -0.66 -0.35 0.00 -0.01 0.00 0.00 64.34 63.17 1b4m n VAL 111 Cb 0.50 -2.67 0.08 0.00 -0.91 0.00 0.00 33.84 30.84 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 8.90 2.75 0.00 5.55 0.00 -1.16 -4.99 120.64 131.68 1b4m n GLU 112 Ca 0.35 -3.35 0.00 0.00 0.00 0.00 0.00 57.16 54.16 1b4m n GLU 112 Cb 0.50 -2.29 0.00 0.00 0.00 0.00 0.00 31.44 29.65 1b4m n GLU 112 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1b4m n GLY 113 N -0.89 0.96 0.06 8.31 0.00 -1.26 -4.65 105.19 107.71 1b4m n GLY 113 Ca 0.62 -1.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 1b4m n GLY 113 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1b4m h ASP 114 N 0.00 0.05 -6.20 1.61 5.19 -1.98 -3.46 116.42 111.63 1b4m h ASP 114 Ca 0.00 -0.41 -0.45 0.00 -0.62 0.00 0.00 57.03 55.55 1b4m h ASP 114 Cb 0.00 -0.01 0.04 0.00 0.18 0.00 0.00 39.33 39.54 1b4m h ASP 114 CO 0.00 0.45 -0.02 2.29 -3.12 0.00 0.00 179.24 178.83 1b4m n LYS 115 N -4.86 0.47 -3.80 3.56 0.00 -1.26 -4.55 118.16 107.72 1b4m n LYS 115 Ca -0.08 -2.84 -0.13 0.00 -0.00 0.00 0.00 58.31 55.26 1b4m n LYS 115 Cb 0.23 -0.32 -0.13 0.00 -0.00 0.00 0.00 35.03 34.81 1b4m n LYS 115 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 1b4m s LEU 116 N 0.00 1.23 0.66 -5.58 0.20 -1.26 -2.99 118.68 110.94 1b4m s LEU 116 Ca 0.58 0.29 -0.10 0.00 0.69 0.00 0.00 54.13 55.59 1b4m s LEU 116 Cb -0.04 0.44 0.00 0.00 -0.43 0.00 0.00 46.19 46.16 1b4m s LEU 116 CO 0.37 -0.08 1.03 -0.31 -0.29 0.00 0.00 176.35 177.07 1b4m s TYR 117 N 0.44 3.36 -0.07 5.38 2.02 -1.10 -4.41 117.35 122.98 1b4m s TYR 117 Ca -0.03 0.98 0.10 0.00 -0.37 0.00 0.00 57.07 57.75 1b4m s TYR 117 Cb -0.04 -2.91 0.17 0.00 -0.40 0.00 0.00 41.96 38.77 1b4m s TYR 117 CO -0.02 -0.99 1.08 -0.11 -1.57 0.00 0.00 175.55 173.94 1b4m n LEU 118 N -2.84 1.20 -1.98 -1.29 0.00 -1.25 -3.03 117.00 107.81 1b4m n LEU 118 Ca 0.06 -2.10 -0.27 0.00 0.00 0.00 0.00 56.01 53.70 1b4m n LEU 118 Cb 0.57 -0.21 -0.04 0.00 0.00 0.00 0.00 43.42 43.74 1b4m n LEU 118 CO 0.56 0.52 0.36 -0.62 0.00 0.00 0.00 177.39 178.21 1b4m n GLU 119 N -0.65 0.00 -3.93 1.96 1.02 -1.22 -4.21 120.64 113.60 1b4m n GLU 119 Ca 0.08 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.13 1b4m n GLU 119 Cb 0.70 -0.64 -0.09 0.00 -0.02 0.00 0.00 31.44 31.38 1b4m n GLU 119 CO 0.00 0.00 0.00 -0.48 1.18 0.00 0.00 177.13 177.83 1b4m s LEU 120 N 0.57 1.82 0.25 -4.62 0.05 -0.39 -0.53 118.68 115.83 1b4m s LEU 120 Ca 0.42 -0.58 0.10 0.00 0.05 0.00 0.00 54.13 54.11 1b4m s LEU 120 Cb -0.59 0.61 -0.04 0.00 -2.05 0.00 0.00 46.19 44.12 1b4m s LEU 120 CO 0.29 -0.54 -0.07 -0.89 -0.55 0.00 0.00 176.35 174.60 1b4m s THR 121 N -2.85 3.18 -0.39 5.48 2.01 -0.01 -1.64 115.64 121.43 1b4m s THR 121 Ca -0.03 -1.97 0.10 0.00 0.31 0.00 0.00 61.69 60.11 1b4m s THR 121 Cb 0.00 -2.67 0.40 0.00 0.01 0.00 0.00 72.50 70.24 1b4m s THR 121 CO -0.06 -0.32 1.32 0.00 -0.69 0.00 0.00 174.62 174.87 1b4m n GLY 123 N -0.57 1.31 0.25 0.00 0.00 0.31 -3.37 105.19 103.11 1b4m n GLY 123 Ca -0.02 -0.56 -0.09 0.00 0.00 0.00 0.00 46.02 45.36 1b4m n GLY 123 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1b4m h ASP 124 N 0.00 -0.47 -3.87 1.61 1.82 -1.88 -3.40 116.42 110.24 1b4m h ASP 124 Ca 0.00 0.01 -0.44 0.00 -0.39 0.00 0.00 57.03 56.21 1b4m h ASP 124 Cb 0.00 0.12 0.16 0.00 0.68 0.00 0.00 39.33 40.30 1b4m h ASP 124 CO 0.00 -0.03 0.25 -1.10 -1.61 0.00 0.00 179.24 176.75 1b4m s GLN 125 N -3.35 0.02 -0.44 0.28 -1.52 -1.26 -5.06 119.66 108.34 1b4m s GLN 125 Ca -0.08 0.01 0.07 0.00 -1.95 0.00 0.00 55.36 53.41 1b4m s GLN 125 Cb 0.01 -1.73 0.24 0.00 -0.22 0.00 0.00 33.01 31.30 1b4m s GLN 125 CO 0.25 -2.90 0.69 0.28 -0.25 0.00 0.00 175.29 173.36 1b4m n VAL 126 N -4.20 -0.37 -1.57 1.09 0.31 -1.26 -2.30 118.33 110.02 1b4m n VAL 126 Ca 0.11 -2.65 -0.50 0.00 -0.01 0.00 0.00 64.34 61.29 1b4m n VAL 126 Cb 0.59 -0.18 -0.06 0.00 -0.91 0.00 0.00 33.84 33.28 1b4m n VAL 126 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1b4m n ARG 128 N 7.36 3.21 -1.68 0.00 0.63 -1.26 -1.27 116.66 123.65 1b4m n ARG 128 Ca 0.32 -4.47 -0.45 0.00 -0.92 0.00 0.00 57.85 52.33 1b4m n ARG 128 Cb 0.25 -2.50 -0.04 0.00 0.45 0.00 0.00 32.46 30.63 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 2.50 2.26 -4.57 -0.14 1.13 -1.26 -4.37 117.38 112.93 1b4m n GLN 129 Ca 0.23 0.82 -0.34 0.00 -1.94 0.00 0.00 57.00 55.77 1b4m n GLN 129 Cb 0.38 -2.60 -0.12 0.00 0.11 0.00 0.00 30.24 28.01 1b4m n GLN 129 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1b4m s VAL 130 N 1.08 3.75 0.30 5.09 1.01 -1.05 -3.80 120.40 126.78 1b4m s VAL 130 Ca 0.79 -0.45 0.04 0.00 0.00 0.00 0.00 61.98 62.36 1b4m s VAL 130 Cb -0.65 -2.56 -0.06 0.00 0.00 0.00 0.00 36.38 33.11 1b4m s VAL 130 CO 0.37 0.57 0.02 -0.36 0.00 0.00 0.00 175.10 175.71 1b4m s PHE 131 N -0.46 1.90 -0.00 5.22 0.40 -1.26 -2.42 117.98 121.36 1b4m s PHE 131 Ca 0.07 -0.90 0.21 0.00 -0.60 0.00 0.00 56.93 55.71 1b4m s PHE 131 Cb -0.12 -1.19 0.35 0.00 0.51 0.00 0.00 43.02 42.57 1b4m s PHE 131 CO 0.02 0.06 1.14 0.36 0.70 0.00 0.00 175.22 177.50 1b4m n LYS 132 N -0.62 0.02 -1.31 0.44 2.85 -1.24 -4.67 118.16 113.63 1b4m n LYS 132 Ca -0.03 -1.84 0.18 0.00 -1.05 0.00 0.00 58.31 55.57 1b4m n LYS 132 Cb 0.65 0.07 -0.05 0.00 -0.65 0.00 0.00 35.03 35.06 1b4m n LYS 132 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 1b4m n LYS 133 N 0.39 -2.71 0.00 -1.58 2.85 -1.26 -4.71 118.16 111.14 1b4m n LYS 133 Ca -0.00 1.87 0.00 0.00 -1.05 0.00 0.00 58.31 59.13 1b4m n LYS 133 Cb 1.07 -3.28 0.01 0.00 -0.65 0.00 0.00 35.03 32.18 1b4m n LYS 133 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71