#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 0.31 2.03 -1.04 -1.26 -4.87 114.28 109.44 1b4m n THR 2 Ca 0.00 0.00 0.10 0.00 -2.04 0.00 0.00 64.05 62.11 1b4m n THR 2 Cb 0.00 -1.51 0.52 0.00 -1.82 0.00 0.00 70.33 67.52 1b4m n THR 2 CO 0.00 0.00 0.00 0.07 -0.64 0.00 0.00 175.07 174.50 1b4m h LYS 3 N 0.00 0.00 -5.89 -2.82 -0.00 -1.99 -3.38 116.57 102.50 1b4m h LYS 3 Ca 0.00 0.00 -0.52 0.00 -0.00 0.00 0.00 60.65 60.13 1b4m h LYS 3 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.22 1b4m h LYS 3 CO 0.00 0.00 1.49 -0.51 -0.00 0.00 0.00 179.45 180.43 1b4m s ASP 4 N -3.86 5.09 0.27 7.07 1.01 -1.26 -4.82 116.67 120.17 1b4m s ASP 4 Ca -0.02 1.21 0.06 0.00 0.71 0.00 0.00 52.55 54.50 1b4m s ASP 4 Cb 0.06 -2.51 -0.02 0.00 1.01 0.00 0.00 42.92 41.45 1b4m s ASP 4 CO 0.17 -2.36 0.20 0.00 0.21 0.00 0.00 175.17 173.40 1b4m n GLN 5 N 8.88 0.38 -3.64 8.23 10.64 -1.26 -5.00 117.38 135.60 1b4m n GLN 5 Ca 0.30 -2.62 -0.03 0.00 -1.83 0.00 0.00 57.00 52.82 1b4m n GLN 5 Cb 0.50 2.03 -0.05 0.00 -0.86 0.00 0.00 30.24 31.86 1b4m n GLN 5 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.06 176.44 1b4m s ASN 6 N -2.85 -0.05 0.00 2.61 3.84 -1.26 -4.50 114.94 112.73 1b4m s ASN 6 Ca 0.29 0.08 0.00 0.00 0.21 0.00 0.00 52.86 53.43 1b4m s ASN 6 Cb 0.01 0.07 0.00 0.00 -0.55 0.00 0.00 41.25 40.78 1b4m s ASN 6 CO 0.20 -0.03 0.00 0.61 -2.79 0.00 0.00 177.10 175.09 1b4m n GLY 7 N 0.98 1.37 2.37 1.21 0.00 -1.24 -5.00 105.19 104.89 1b4m n GLY 7 Ca -0.05 -0.34 -0.02 0.00 0.00 0.00 0.00 46.02 45.61 1b4m n GLY 7 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1b4m n THR 8 N 0.00 0.00 -1.03 2.61 5.66 -1.26 -4.01 114.28 116.25 1b4m n THR 8 Ca 0.00 -0.78 -0.37 0.00 -3.05 0.00 0.00 64.05 59.84 1b4m n THR 8 Cb 0.00 0.82 -0.03 0.00 -1.55 0.00 0.00 70.33 69.57 1b4m n THR 8 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 175.07 172.81 1b4m n TRP 9 N -0.89 -0.09 -2.25 1.09 7.02 -0.30 -4.43 117.44 117.59 1b4m n TRP 9 Ca -0.12 0.72 -0.38 0.00 -1.02 0.00 0.00 57.50 56.70 1b4m n TRP 9 Cb 0.75 -1.44 0.02 0.00 -2.42 0.00 0.00 31.31 28.22 1b4m n TRP 9 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 1b4m n GLU 10 N 0.84 3.61 0.00 -0.99 1.02 -0.62 0.69 120.64 125.19 1b4m n GLU 10 Ca 0.13 -4.05 0.00 0.00 -0.02 0.00 0.00 57.16 53.23 1b4m n GLU 10 Cb 0.14 -2.32 0.00 0.00 -0.02 0.00 0.00 31.44 29.24 1b4m n GLU 10 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 1b4m n MET 11 N -0.38 0.00 0.00 3.49 0.00 -1.26 -4.47 117.12 114.50 1b4m n MET 11 Ca 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 58.19 1b4m n MET 11 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.52 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 0.00 0.00 -3.59 2.12 2.13 -1.09 -4.31 120.64 115.90 1b4m n GLU 12 Ca 0.00 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.78 1b4m n GLU 12 Cb 0.00 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.69 1b4m n GLU 12 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1b4m s SER 13 N -3.21 -0.16 0.22 4.31 0.15 -1.18 -5.04 113.70 108.79 1b4m s SER 13 Ca 0.00 -0.03 0.10 0.00 0.70 0.00 0.00 55.95 56.72 1b4m s SER 13 Cb 0.00 0.20 -0.04 0.00 -1.71 0.00 0.00 66.02 64.46 1b4m s SER 13 CO 0.00 -0.33 -0.12 0.54 1.20 0.00 0.00 173.24 174.53 1b4m s ASN 14 N -2.36 4.05 0.04 5.45 4.22 -1.26 -1.70 114.94 123.38 1b4m s ASN 14 Ca 0.09 -0.73 -0.02 0.00 -2.14 0.00 0.00 52.86 50.07 1b4m s ASN 14 Cb -0.00 -0.59 -0.01 0.00 1.28 0.00 0.00 41.25 41.93 1b4m s ASN 14 CO -0.05 0.07 -0.04 1.21 -2.04 0.00 0.00 177.10 176.25 1b4m n GLU 15 N -0.24 0.06 -3.99 3.55 4.07 -1.26 -4.96 120.64 117.87 1b4m n GLU 15 Ca -0.09 0.03 -0.34 0.00 -0.06 0.00 0.00 57.16 56.70 1b4m n GLU 15 Cb 0.57 -0.61 -0.15 0.00 -0.06 0.00 0.00 31.44 31.20 1b4m n GLU 15 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 1b4m s ASN 16 N -5.75 4.35 -0.06 4.31 3.84 -1.26 -4.92 114.94 115.43 1b4m s ASN 16 Ca -0.04 -1.05 -0.02 0.00 0.21 0.00 0.00 52.86 51.96 1b4m s ASN 16 Cb 0.01 -1.63 -0.03 0.00 -0.55 0.00 0.00 41.25 39.05 1b4m s ASN 16 CO 0.05 -0.16 -0.08 0.33 -2.79 0.00 0.00 177.10 174.46 1b4m n PHE 17 N 4.60 0.00 -0.04 0.43 -0.00 -1.26 -4.70 117.46 116.49 1b4m n PHE 17 Ca -0.16 0.00 -0.15 0.00 -0.00 0.00 0.00 57.45 57.15 1b4m n PHE 17 Cb 0.45 -0.24 -0.12 0.00 -0.00 0.00 0.00 39.48 39.58 1b4m n PHE 17 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.76 178.25 1b4m h GLU 18 N -0.17 0.09 -0.12 -4.13 4.57 -1.97 -3.25 114.58 109.58 1b4m h GLU 18 Ca -0.16 -0.10 0.04 0.00 -1.18 0.00 0.00 59.36 57.96 1b4m h GLU 18 Cb 1.16 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.78 1b4m h GLU 18 CO -0.08 0.88 0.36 0.78 -1.18 0.00 0.00 179.01 179.77 1b4m h GLY 19 N -0.67 0.00 0.66 1.92 0.00 -1.94 0.73 103.07 103.77 1b4m h GLY 19 Ca -0.02 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.28 1b4m h GLY 19 CO 0.03 0.00 -0.06 -1.82 0.00 0.00 0.00 176.54 174.68 1b4m h TYR 20 N 0.00 0.23 -0.08 5.60 3.20 -1.84 0.52 116.97 124.60 1b4m h TYR 20 Ca 0.06 -0.06 -0.12 0.00 3.14 0.00 0.00 58.73 61.74 1b4m h TYR 20 Cb 0.77 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.98 1b4m h TYR 20 CO 0.00 0.60 -0.51 0.52 -1.64 0.00 0.00 178.16 177.13 1b4m h MET 21 N -0.20 0.21 0.00 1.82 2.86 -0.37 -2.99 114.93 116.25 1b4m h MET 21 Ca 0.02 -0.12 -0.06 0.00 -2.06 0.00 0.00 59.70 57.48 1b4m h MET 21 Cb 0.55 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 1b4m h MET 21 CO 0.02 0.67 -0.27 -0.22 1.06 0.00 0.00 176.91 178.17 1b4m h LYS 22 N 0.17 0.00 0.03 1.72 3.64 0.32 -2.17 116.57 120.28 1b4m h LYS 22 Ca 0.01 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.17 1b4m h LYS 22 Cb 0.95 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.76 1b4m h LYS 22 CO 0.08 0.27 -0.98 0.00 -2.27 0.00 0.00 179.45 176.54 1b4m h ALA 23 N 1.73 0.40 0.00 5.00 0.00 0.19 -2.44 119.26 124.15 1b4m h ALA 23 Ca -0.00 -0.81 -0.06 0.00 0.00 0.00 0.00 54.91 54.04 1b4m h ALA 23 Cb 0.99 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1b4m h ALA 23 CO 0.03 1.03 -0.28 -0.07 0.00 0.00 0.00 179.25 179.97 1b4m h LEU 24 N 0.06 0.00 -2.44 0.00 3.38 -1.49 -3.47 115.31 111.34 1b4m h LEU 24 Ca -0.05 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.70 1b4m h LEU 24 Cb 1.67 0.00 0.16 0.00 0.09 0.00 0.00 40.66 42.58 1b4m h LEU 24 CO 0.14 0.28 -0.71 -0.67 0.09 0.00 0.00 178.44 177.57 1b4m n ASP 25 N -3.34 -5.46 -0.04 -0.43 2.03 -0.92 -4.94 116.55 103.45 1b4m n ASP 25 Ca 0.01 -0.59 -0.14 0.00 0.52 0.00 0.00 54.79 54.59 1b4m n ASP 25 Cb 0.51 -4.45 -0.09 0.00 -0.72 0.00 0.00 41.12 36.37 1b4m n ASP 25 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 1b4m h ILE 26 N -0.98 1.42 0.00 5.18 2.10 -1.64 -3.47 117.51 120.12 1b4m h ILE 26 Ca -0.51 -1.48 0.00 0.00 1.08 0.00 0.00 64.86 63.95 1b4m h ILE 26 Cb 1.26 2.22 0.00 0.00 -1.09 0.00 0.00 36.82 39.22 1b4m h ILE 26 CO 0.37 0.41 0.00 -0.67 -1.08 0.00 0.00 178.15 177.19 1b4m n ASP 27 N -4.60 0.00 -4.67 2.19 2.03 -1.26 -4.99 116.55 105.25 1b4m n ASP 27 Ca -0.08 0.00 -0.43 0.00 0.52 0.00 0.00 54.79 54.81 1b4m n ASP 27 Cb 0.39 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.76 1b4m n ASP 27 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1b4m s PHE 28 N 0.00 2.71 -0.06 -0.67 0.08 -1.26 -3.13 117.98 115.64 1b4m s PHE 28 Ca 0.00 0.83 -0.00 0.00 0.12 0.00 0.00 56.93 57.88 1b4m s PHE 28 Cb 0.00 -3.61 -0.00 0.00 -0.57 0.00 0.00 43.02 38.84 1b4m s PHE 28 CO 0.00 -2.25 0.05 0.00 -0.10 0.00 0.00 175.22 172.93 1b4m n ALA 29 N 6.29 -0.19 -0.09 5.36 0.00 -1.26 -5.02 120.51 125.60 1b4m n ALA 29 Ca 0.14 -0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.42 1b4m n ALA 29 Cb 0.44 -0.63 -0.09 0.00 0.00 0.00 0.00 19.45 19.17 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 -0.09 0.82 0.00 0.00 1.03 -1.99 -3.48 112.91 109.20 1b4m h THR 30 Ca -0.03 -1.90 0.00 0.00 -0.01 0.00 0.00 66.41 64.47 1b4m h THR 30 Cb 1.02 1.83 0.00 0.00 -1.07 0.00 0.00 68.15 69.92 1b4m h THR 30 CO 0.03 0.28 0.00 -2.11 -0.01 0.00 0.00 175.52 173.70 1b4m n ARG 31 N -4.52 3.00 0.00 0.00 -4.01 -1.26 -4.77 116.66 105.10 1b4m n ARG 31 Ca -0.21 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.60 1b4m n ARG 31 Cb 0.52 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.94 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 0.00 0.00 -0.04 2.89 3.00 -1.26 -4.58 118.16 118.17 1b4m n LYS 32 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 58.31 58.33 1b4m n LYS 32 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 35.03 35.07 1b4m n LYS 32 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 1b4m n ILE 33 N 0.00 0.84 -1.14 3.15 -0.00 -1.26 -4.46 119.36 116.49 1b4m n ILE 33 Ca 0.00 -0.92 0.08 0.00 -0.00 0.00 0.00 62.75 61.91 1b4m n ILE 33 Cb 0.00 0.59 0.19 0.00 -0.00 0.00 0.00 39.64 40.42 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 -0.16 2.87 -0.31 -1.39 0.00 -1.26 -4.66 120.51 115.60 1b4m n ALA 34 Ca 0.03 -2.65 0.21 0.00 0.00 0.00 0.00 53.44 51.03 1b4m n ALA 34 Cb 0.26 -0.53 0.49 0.00 0.00 0.00 0.00 19.45 19.68 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 0.80 0.57 0.00 0.00 2.07 -1.95 -3.42 116.25 114.32 1b4m h VAL 35 Ca 0.02 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1b4m h VAL 35 Cb 1.22 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1b4m h VAL 35 CO 0.12 0.08 0.00 -1.14 0.02 0.00 0.00 177.57 176.64 1b4m n ARG 36 N -4.61 0.00 -0.13 1.57 3.00 -1.26 -5.04 116.66 110.19 1b4m n ARG 36 Ca 0.24 0.00 -0.28 0.00 -0.00 0.00 0.00 57.85 57.81 1b4m n ARG 36 Cb 0.82 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 33.18 1b4m n ARG 36 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1b4m n LEU 37 N 0.00 1.94 -3.62 6.15 4.77 -1.26 -5.05 117.00 119.92 1b4m n LEU 37 Ca 0.00 0.36 -0.08 0.00 -0.03 0.00 0.00 56.01 56.26 1b4m n LEU 37 Cb 0.00 -0.85 -0.06 0.00 -2.33 0.00 0.00 43.42 40.18 1b4m n LEU 37 CO 0.00 0.49 0.83 -0.89 -1.33 0.00 0.00 177.39 176.49 1b4m s THR 38 N -2.48 0.00 0.11 -5.08 2.01 -1.26 -5.02 115.64 103.91 1b4m s THR 38 Ca -0.36 0.00 0.08 0.00 0.31 0.00 0.00 61.69 61.72 1b4m s THR 38 Cb 0.13 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.60 1b4m s THR 38 CO 0.51 0.00 -0.21 -1.58 -0.69 0.00 0.00 174.62 172.65 1b4m s GLN 39 N -0.19 1.14 0.00 4.92 -0.44 -1.26 -4.43 119.66 119.40 1b4m s GLN 39 Ca 0.03 -1.18 0.00 0.00 -2.50 0.00 0.00 55.36 51.70 1b4m s GLN 39 Cb -0.04 -1.39 0.00 0.00 -1.64 0.00 0.00 33.01 29.94 1b4m s GLN 39 CO -0.06 0.32 0.00 2.41 0.50 0.00 0.00 175.29 178.46 1b4m n THR 40 N 1.02 0.00 -3.86 -0.34 -1.04 -1.26 -4.87 114.28 103.93 1b4m n THR 40 Ca -0.19 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.53 1b4m n THR 40 Cb 0.54 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 69.01 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 0.00 3.47 0.07 -2.82 2.36 0.22 -0.97 119.74 122.07 1b4m s LYS 41 Ca 0.00 -0.44 0.01 0.00 -2.55 0.00 0.00 55.97 52.99 1b4m s LYS 41 Cb 0.00 -2.95 -0.04 0.00 -1.05 0.00 0.00 37.83 33.79 1b4m s LYS 41 CO 0.00 0.52 -0.05 0.42 1.55 0.00 0.00 175.35 177.79 1b4m s ILE 42 N -1.67 0.48 -0.05 5.43 1.09 0.41 -1.14 121.20 125.74 1b4m s ILE 42 Ca 0.36 -1.69 -0.00 0.00 -1.10 0.00 0.00 60.65 58.21 1b4m s ILE 42 Cb -0.12 -1.37 0.03 0.00 -1.06 0.00 0.00 42.46 39.94 1b4m s ILE 42 CO 0.28 -0.82 -0.00 -0.51 -0.10 0.00 0.00 174.94 173.79 1b4m s ILE 43 N -3.23 0.30 -0.30 2.92 2.07 -1.26 0.41 121.20 122.11 1b4m s ILE 43 Ca 0.05 0.08 0.02 0.00 -1.41 0.00 0.00 60.65 59.39 1b4m s ILE 43 Cb 0.03 -0.41 0.09 0.00 0.13 0.00 0.00 42.46 42.29 1b4m s ILE 43 CO -0.05 0.20 0.03 -0.69 -1.91 0.00 0.00 174.94 172.52 1b4m s VAL 44 N 1.40 1.67 -0.51 4.00 1.01 -1.26 -3.62 120.40 123.10 1b4m s VAL 44 Ca -0.04 -1.75 0.04 0.00 0.00 0.00 0.00 61.98 60.22 1b4m s VAL 44 Cb -0.13 -2.15 0.13 0.00 0.00 0.00 0.00 36.38 34.24 1b4m s VAL 44 CO -0.03 -0.47 0.27 -1.10 0.00 0.00 0.00 175.10 173.77 1b4m s GLN 45 N 1.24 1.87 0.00 2.72 -0.21 -1.26 -0.23 119.66 123.80 1b4m s GLN 45 Ca 0.06 -2.55 0.27 0.00 0.02 0.00 0.00 55.36 53.16 1b4m s GLN 45 Cb -0.18 -3.14 1.25 0.00 1.00 0.00 0.00 33.01 31.94 1b4m s GLN 45 CO -0.12 -1.13 1.91 -3.47 -2.12 0.00 0.00 175.29 170.35 1b4m n ASP 46 N 3.13 0.00 0.00 5.90 2.03 -1.22 -4.87 116.55 121.52 1b4m n ASP 46 Ca 0.06 0.27 0.00 0.00 0.52 0.00 0.00 54.79 55.65 1b4m n ASP 46 Cb 0.33 -0.42 0.00 0.00 -0.72 0.00 0.00 41.12 40.31 1b4m n ASP 46 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1b4m n GLY 47 N 1.23 -1.07 0.79 0.27 0.00 -1.26 -4.93 105.19 100.22 1b4m n GLY 47 Ca 0.09 0.56 0.12 0.00 0.00 0.00 0.00 46.02 46.79 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 2.57 -4.09 1.61 9.92 -1.26 -4.66 116.55 120.64 1b4m n ASP 48 Ca 0.00 -1.81 -0.36 0.00 -0.53 0.00 0.00 54.79 52.09 1b4m n ASP 48 Cb 0.00 0.11 -0.10 0.00 -0.64 0.00 0.00 41.12 40.49 1b4m n ASP 48 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1b4m s ASN 49 N -2.12 5.19 -0.52 -2.24 2.20 -1.26 -0.42 114.94 115.77 1b4m s ASN 49 Ca 0.27 -2.88 -0.18 0.00 -0.94 0.00 0.00 52.86 49.13 1b4m s ASN 49 Cb 0.20 -1.84 0.08 0.00 -2.00 0.00 0.00 41.25 37.68 1b4m s ASN 49 CO 0.37 -0.36 0.57 0.12 -2.94 0.00 0.00 177.10 174.86 1b4m s PHE 50 N -0.11 3.11 -0.65 1.54 5.36 -0.88 -3.39 117.98 122.96 1b4m s PHE 50 Ca 0.17 -0.81 0.06 0.00 -0.96 0.00 0.00 56.93 55.39 1b4m s PHE 50 Cb -0.20 -3.57 0.22 0.00 -0.34 0.00 0.00 43.02 39.13 1b4m s PHE 50 CO -0.03 -1.03 0.66 1.63 -1.46 0.00 0.00 175.22 174.99 1b4m n LYS 51 N 5.86 2.23 -0.72 10.12 4.01 0.69 -3.24 118.16 137.10 1b4m n LYS 51 Ca -0.09 -4.55 -0.33 0.00 -0.51 0.00 0.00 58.31 52.83 1b4m n LYS 51 Cb 0.44 -2.22 0.15 0.00 -0.51 0.00 0.00 35.03 32.88 1b4m n LYS 51 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 1b4m n THR 52 N 1.23 0.00 -3.58 -0.18 -1.04 -0.76 -4.03 114.28 105.93 1b4m n THR 52 Ca 0.27 -0.26 -0.08 0.00 -2.04 0.00 0.00 64.05 61.94 1b4m n THR 52 Cb 0.40 -0.61 -0.04 0.00 -1.82 0.00 0.00 70.33 68.25 1b4m n THR 52 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1b4m s LYS 53 N -3.53 0.51 0.13 -2.82 -2.85 0.17 0.11 119.74 111.46 1b4m s LYS 53 Ca 0.56 0.01 0.05 0.00 -1.00 0.00 0.00 55.97 55.59 1b4m s LYS 53 Cb -0.16 0.24 -0.04 0.00 -2.06 0.00 0.00 37.83 35.81 1b4m s LYS 53 CO 0.67 -0.18 0.04 -0.08 0.10 0.00 0.00 175.35 175.90 1b4m s THR 54 N -1.65 4.12 -1.46 3.79 -1.32 -1.26 0.15 115.64 118.01 1b4m s THR 54 Ca 0.03 -1.09 0.17 0.00 -1.21 0.00 0.00 61.69 59.59 1b4m s THR 54 Cb -0.01 -3.03 0.51 0.00 -1.51 0.00 0.00 72.50 68.46 1b4m s THR 54 CO -0.03 0.01 1.43 -3.20 -2.21 0.00 0.00 174.62 170.62 1b4m n ASN 55 N 0.16 3.58 -4.31 8.08 2.85 -0.14 -4.60 115.26 120.88 1b4m n ASN 55 Ca -0.10 -2.04 -0.38 0.00 -0.11 0.00 0.00 54.58 51.95 1b4m n ASN 55 Cb 0.53 -0.39 0.03 0.00 1.24 0.00 0.00 39.78 41.20 1b4m n ASN 55 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1b4m n SER 56 N 1.11 -2.90 0.07 1.20 7.64 -1.26 -4.92 113.62 114.56 1b4m n SER 56 Ca 0.19 0.59 -0.16 0.00 1.01 0.00 0.00 58.87 60.51 1b4m n SER 56 Cb 0.56 -0.98 -0.14 0.00 -1.01 0.00 0.00 64.21 62.64 1b4m n SER 56 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1b4m h THR 57 N -0.17 1.23 -0.83 0.44 1.03 -1.96 -3.30 112.91 109.34 1b4m h THR 57 Ca -0.43 -2.86 0.01 0.00 -0.01 0.00 0.00 66.41 63.11 1b4m h THR 57 Cb 1.40 2.79 -0.04 0.00 -1.07 0.00 0.00 68.15 71.22 1b4m h THR 57 CO 0.41 0.83 0.54 2.19 -0.01 0.00 0.00 175.52 179.47 1b4m h PHE 58 N 0.06 1.06 0.00 0.00 -5.15 -1.93 -3.46 116.94 107.52 1b4m h PHE 58 Ca -0.22 0.02 0.00 0.00 -0.20 0.00 0.00 57.97 57.57 1b4m h PHE 58 Cb 2.00 -0.36 0.00 0.00 0.22 0.00 0.00 35.95 37.81 1b4m h PHE 58 CO 0.06 0.68 0.00 2.89 -2.00 0.00 0.00 178.31 179.93 1b4m n ARG 59 N -4.40 0.00 -4.54 6.09 1.85 -1.24 -5.14 116.66 109.28 1b4m n ARG 59 Ca 0.09 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.61 1b4m n ARG 59 Cb 0.03 0.00 -0.14 0.00 -1.05 0.00 0.00 32.46 31.30 1b4m n ARG 59 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1b4m s ASN 60 N 0.00 4.11 -0.35 2.89 0.02 -1.26 -4.28 114.94 116.08 1b4m s ASN 60 Ca 0.00 -0.33 0.08 0.00 -1.02 0.00 0.00 52.86 51.59 1b4m s ASN 60 Cb 0.00 -1.65 0.60 0.00 0.02 0.00 0.00 41.25 40.22 1b4m s ASN 60 CO 0.00 0.12 1.68 0.00 0.02 0.00 0.00 177.10 178.92 1b4m n TYR 61 N 3.81 1.99 0.00 2.20 9.36 -1.26 -4.99 117.16 128.27 1b4m n TYR 61 Ca -0.18 -1.59 0.00 0.00 3.32 0.00 0.00 57.90 59.45 1b4m n TYR 61 Cb 0.52 -0.68 0.00 0.00 -0.63 0.00 0.00 39.34 38.56 1b4m n TYR 61 CO 0.00 0.00 0.00 -0.25 0.22 0.00 0.00 176.86 176.83 1b4m n ASP 62 N -0.96 0.00 -4.67 2.98 8.00 -1.26 -4.85 116.55 115.79 1b4m n ASP 62 Ca 0.43 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.51 1b4m n ASP 62 Cb 1.31 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 42.38 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 0.00 4.31 -0.40 0.64 0.20 0.31 -4.94 118.68 118.80 1b4m s LEU 63 Ca 0.00 2.20 0.03 0.00 0.69 0.00 0.00 54.13 57.05 1b4m s LEU 63 Cb 0.00 -3.54 0.16 0.00 -0.43 0.00 0.00 46.19 42.38 1b4m s LEU 63 CO 0.00 -0.86 0.32 1.51 -0.29 0.00 0.00 176.35 177.03 1b4m s ASP 64 N 2.77 1.70 0.17 3.68 -4.77 -1.26 -1.82 116.67 117.14 1b4m s ASP 64 Ca 0.70 -2.73 -0.04 0.00 -3.30 0.00 0.00 52.55 47.18 1b4m s ASP 64 Cb -0.33 -0.30 -0.03 0.00 -1.09 0.00 0.00 42.92 41.17 1b4m s ASP 64 CO 0.28 -0.21 0.16 0.72 0.70 0.00 0.00 175.17 176.83 1b4m s PHE 65 N 0.41 0.84 0.24 2.11 -0.12 -1.20 -5.02 117.98 115.24 1b4m s PHE 65 Ca 0.28 -1.15 0.12 0.00 -0.05 0.00 0.00 56.93 56.13 1b4m s PHE 65 Cb -0.04 -0.37 -0.05 0.00 -0.63 0.00 0.00 43.02 41.93 1b4m s PHE 65 CO -0.13 -0.64 -0.22 0.99 -0.05 0.00 0.00 175.22 175.17 1b4m s THR 66 N -4.07 2.44 0.35 -4.49 2.01 -1.26 -2.08 115.64 108.54 1b4m s THR 66 Ca 0.28 -2.23 -0.26 0.00 0.31 0.00 0.00 61.69 59.79 1b4m s THR 66 Cb 0.06 -2.23 -0.12 0.00 0.01 0.00 0.00 72.50 70.22 1b4m s THR 66 CO 0.06 -0.27 1.02 0.52 -0.69 0.00 0.00 174.62 175.27 1b4m n VAL 67 N -0.21 2.16 -2.61 3.82 0.31 0.44 -3.09 118.33 119.14 1b4m n VAL 67 Ca -0.09 -0.50 -0.06 0.00 -0.01 0.00 0.00 64.34 63.69 1b4m n VAL 67 Cb 0.58 -1.12 -0.02 0.00 -0.91 0.00 0.00 33.84 32.38 1b4m n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1b4m n GLY 68 N 1.17 -0.03 0.86 2.92 0.00 0.35 -4.68 105.19 105.78 1b4m n GLY 68 Ca 0.09 0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.26 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 -1.48 0.01 -3.02 1.61 3.14 -1.18 -4.96 118.33 112.45 1b4m n VAL 69 Ca -0.04 -0.45 -0.04 0.00 -2.96 0.00 0.00 64.34 60.85 1b4m n VAL 69 Cb 0.11 1.27 0.00 0.00 -1.06 0.00 0.00 33.84 34.17 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 1.10 -1.70 -2.14 1.45 2.13 -1.26 -4.89 120.64 115.33 1b4m n GLU 70 Ca 0.15 1.69 -0.41 0.00 0.66 0.00 0.00 57.16 59.25 1b4m n GLU 70 Cb 0.55 -5.57 -0.02 0.00 0.27 0.00 0.00 31.44 26.67 1b4m n GLU 70 CO 0.00 0.00 0.00 0.12 -0.41 0.00 0.00 177.13 176.84 1b4m s PHE 71 N -2.84 3.11 -0.55 4.31 5.36 0.20 -4.80 117.98 122.78 1b4m s PHE 71 Ca 0.09 1.33 -0.03 0.00 -0.96 0.00 0.00 56.93 57.37 1b4m s PHE 71 Cb -0.02 -3.67 0.14 0.00 -0.34 0.00 0.00 43.02 39.13 1b4m s PHE 71 CO 0.76 -1.92 0.36 0.34 -1.46 0.00 0.00 175.22 173.31 1b4m s ASP 72 N -0.22 5.23 0.61 6.13 -1.08 -1.26 -0.09 116.67 125.98 1b4m s ASP 72 Ca 0.52 -2.59 -0.16 0.00 -0.52 0.00 0.00 52.55 49.80 1b4m s ASP 72 Cb -0.39 -1.84 -0.03 0.00 -1.46 0.00 0.00 42.92 39.20 1b4m s ASP 72 CO 0.48 -0.43 1.08 -0.70 0.52 0.00 0.00 175.17 176.12 1b4m s GLU 73 N 0.33 3.17 -0.51 4.34 2.12 0.39 -4.94 118.70 123.60 1b4m s GLU 73 Ca 0.14 1.31 0.06 0.00 0.36 0.00 0.00 54.97 56.84 1b4m s GLU 73 Cb -0.21 -2.01 0.22 0.00 0.26 0.00 0.00 34.13 32.39 1b4m s GLU 73 CO -0.04 -0.95 0.53 0.72 -0.54 0.00 0.00 175.26 174.99 1b4m n HIS 74 N -2.05 1.08 0.00 5.30 8.25 -1.26 -3.44 115.22 123.10 1b4m n HIS 74 Ca 0.10 -3.77 0.00 0.00 -0.26 0.00 0.00 57.72 53.78 1b4m n HIS 74 Cb 0.52 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 31.34 1b4m n HIS 74 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1b4m n THR 75 N 1.71 0.00 -0.09 1.59 -2.24 -1.26 -4.90 114.28 109.09 1b4m n THR 75 Ca 0.25 1.03 0.00 0.00 -2.27 0.00 0.00 64.05 63.06 1b4m n THR 75 Cb 0.46 -1.77 0.00 0.00 -2.10 0.00 0.00 70.33 66.92 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 -0.84 0.00 0.00 -0.78 2.85 -1.26 -3.94 118.16 114.19 1b4m n LYS 76 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1b4m n LYS 76 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1b4m n LYS 76 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1b4m n GLY 77 N 0.56 1.36 2.66 2.58 0.00 -1.26 -4.91 105.19 106.18 1b4m n GLY 77 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 0.00 1.25 0.00 0.99 7.94 -1.25 -4.96 117.00 120.97 1b4m n LEU 78 Ca 0.00 -3.70 0.00 0.00 -1.11 0.00 0.00 56.01 51.20 1b4m n LEU 78 Cb 0.00 0.41 0.00 0.00 0.53 0.00 0.00 43.42 44.36 1b4m n LEU 78 CO 0.00 1.58 0.00 -0.67 -1.11 0.00 0.00 177.39 177.19 1b4m n ASP 79 N -0.09 0.00 -0.67 1.96 2.03 -1.26 -5.00 116.55 113.51 1b4m n ASP 79 Ca 0.08 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.39 1b4m n ASP 79 Cb 0.82 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.22 1b4m n ASP 79 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1b4m n GLY 80 N 0.00 0.60 0.00 0.27 0.00 -1.26 -4.83 105.19 99.97 1b4m n GLY 80 Ca 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.55 0.00 0.00 1.61 3.00 -1.26 -4.88 116.66 114.58 1b4m n ARG 81 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1b4m n ARG 81 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.68 1b4m n ARG 81 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1b4m n ASN 82 N 0.00 0.00 -4.26 6.15 2.85 -1.26 -4.69 115.26 114.05 1b4m n ASN 82 Ca 0.00 0.00 -0.14 0.00 -0.11 0.00 0.00 54.58 54.33 1b4m n ASN 82 Cb 0.00 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 40.92 1b4m n ASN 82 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1b4m s VAL 83 N 0.00 0.71 0.77 3.44 1.01 -1.22 -4.97 120.40 120.14 1b4m s VAL 83 Ca 0.00 -1.99 -0.11 0.00 0.00 0.00 0.00 61.98 59.88 1b4m s VAL 83 Cb 0.00 -2.21 0.06 0.00 0.00 0.00 0.00 36.38 34.23 1b4m s VAL 83 CO 0.00 -0.40 1.09 -0.54 0.00 0.00 0.00 175.10 175.25 1b4m s LYS 84 N -3.92 2.28 -0.30 2.72 3.01 -1.16 -0.46 119.74 121.90 1b4m s LYS 84 Ca 0.26 0.69 -0.04 0.00 -1.01 0.00 0.00 55.97 55.87 1b4m s LYS 84 Cb 0.06 -1.94 0.19 0.00 -1.01 0.00 0.00 37.83 35.14 1b4m s LYS 84 CO 0.06 -1.50 0.86 0.99 0.51 0.00 0.00 175.35 176.27 1b4m s THR 85 N -3.15 -0.56 -0.77 2.17 2.01 0.87 -2.83 115.64 113.37 1b4m s THR 85 Ca 0.60 0.00 -0.17 0.00 0.31 0.00 0.00 61.69 62.43 1b4m s THR 85 Cb -0.14 -0.49 0.15 0.00 0.01 0.00 0.00 72.50 72.04 1b4m s THR 85 CO 0.54 0.00 0.85 -0.22 -0.69 0.00 0.00 174.62 175.10 1b4m s LEU 86 N 2.77 5.78 0.15 4.42 2.96 -1.25 0.60 118.68 134.11 1b4m s LEU 86 Ca 0.20 -2.06 -0.31 0.00 -0.22 0.00 0.00 54.13 51.74 1b4m s LEU 86 Cb -0.04 -2.30 -0.09 0.00 0.50 0.00 0.00 46.19 44.26 1b4m s LEU 86 CO -0.22 -0.91 1.39 -0.69 -1.32 0.00 0.00 176.35 174.60 1b4m s VAL 87 N 1.80 3.15 0.16 1.68 1.01 -1.26 -2.70 120.40 124.23 1b4m s VAL 87 Ca 0.20 0.87 -0.21 0.00 0.00 0.00 0.00 61.98 62.84 1b4m s VAL 87 Cb -0.14 -3.56 0.06 0.00 0.00 0.00 0.00 36.38 32.74 1b4m s VAL 87 CO -0.04 0.09 0.55 -0.89 0.00 0.00 0.00 175.10 174.81 1b4m s THR 88 N 0.73 0.02 0.13 3.92 2.01 0.18 0.13 115.64 122.76 1b4m s THR 88 Ca 0.62 -0.26 -0.18 0.00 0.31 0.00 0.00 61.69 62.19 1b4m s THR 88 Cb -0.38 -1.13 -0.07 0.00 0.01 0.00 0.00 72.50 70.93 1b4m s THR 88 CO 0.34 -0.09 0.60 0.26 -0.69 0.00 0.00 174.62 175.03 1b4m s TRP 89 N -3.78 3.71 -0.15 4.92 0.52 -1.26 0.75 118.94 123.66 1b4m s TRP 89 Ca 0.03 1.23 -0.11 0.00 0.02 0.00 0.00 56.10 57.27 1b4m s TRP 89 Cb -0.00 -2.48 -0.04 0.00 -1.15 0.00 0.00 33.47 29.79 1b4m s TRP 89 CO -0.11 0.49 -0.22 -1.91 0.02 0.00 0.00 176.95 175.22 1b4m n GLU 90 N 1.22 0.45 0.00 4.98 0.00 0.42 -4.83 120.64 122.89 1b4m n GLU 90 Ca -0.07 0.44 0.00 0.00 0.00 0.00 0.00 57.16 57.53 1b4m n GLU 90 Cb 0.51 -1.59 0.00 0.00 0.00 0.00 0.00 31.44 30.36 1b4m n GLU 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1b4m n GLY 91 N 1.58 -1.81 0.57 8.31 0.00 -1.26 -4.94 105.19 107.65 1b4m n GLY 91 Ca -0.09 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.66 1b4m n GLY 91 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1b4m n ASN 92 N 0.00 -0.76 0.00 1.61 5.03 -1.26 -5.12 115.26 114.76 1b4m n ASN 92 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1b4m n ASN 92 Cb 0.00 -0.31 0.00 0.00 -1.02 0.00 0.00 39.78 38.45 1b4m n ASN 92 CO 0.00 0.00 0.00 1.07 -1.83 0.00 0.00 177.26 176.50 1b4m n THR 93 N -0.46 0.00 -2.83 3.41 5.66 -1.26 -4.53 114.28 114.27 1b4m n THR 93 Ca 0.00 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.57 1b4m n THR 93 Cb 0.19 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.93 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 4.08 0.07 1.09 2.96 -1.26 0.16 118.68 125.78 1b4m s LEU 94 Ca 0.00 -0.27 0.05 0.00 -0.22 0.00 0.00 54.13 53.69 1b4m s LEU 94 Cb 0.00 -2.89 -0.04 0.00 0.50 0.00 0.00 46.19 43.76 1b4m s LEU 94 CO 0.00 -1.20 -0.03 -0.69 -1.32 0.00 0.00 176.35 173.11 1b4m s VAL 95 N 3.93 3.84 -0.14 1.68 1.01 0.23 -0.58 120.40 130.37 1b4m s VAL 95 Ca 0.32 -0.98 -0.09 0.00 0.00 0.00 0.00 61.98 61.23 1b4m s VAL 95 Cb -0.12 -2.79 0.05 0.00 0.00 0.00 0.00 36.38 33.52 1b4m s VAL 95 CO 0.20 0.18 0.33 0.00 0.00 0.00 0.00 175.10 175.82 1b4m n VAL 97 N 3.84 4.63 -1.53 0.00 0.31 -1.10 -3.80 118.33 120.68 1b4m n VAL 97 Ca -0.21 -5.66 -0.39 0.00 -0.01 0.00 0.00 64.34 58.07 1b4m n VAL 97 Cb 0.55 -2.23 -0.07 0.00 -0.91 0.00 0.00 33.84 31.18 1b4m n VAL 97 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1b4m n GLN 98 N 1.69 0.78 -3.16 5.55 1.13 -1.26 -3.92 117.38 118.19 1b4m n GLN 98 Ca 0.25 0.04 -0.45 0.00 -1.94 0.00 0.00 57.00 54.91 1b4m n GLN 98 Cb 0.36 -2.79 -0.04 0.00 0.11 0.00 0.00 30.24 27.88 1b4m n GLN 98 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 1b4m s LYS 99 N 8.21 3.13 0.00 -1.09 2.20 -1.13 -3.87 119.74 127.20 1b4m s LYS 99 Ca 1.10 -1.55 0.00 0.00 -0.36 0.00 0.00 55.97 55.16 1b4m s LYS 99 Cb -0.56 -4.34 0.00 0.00 -1.51 0.00 0.00 37.83 31.43 1b4m s LYS 99 CO 0.35 -1.49 0.00 0.41 -0.36 0.00 0.00 175.35 174.26 1b4m n GLY 100 N 5.15 1.29 1.48 5.54 0.00 -1.26 -2.98 105.19 114.41 1b4m n GLY 100 Ca -0.06 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.87 1b4m n GLY 100 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1b4m n GLU 101 N 0.00 0.00 -0.12 1.61 0.00 -1.26 -4.90 120.64 115.96 1b4m n GLU 101 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 57.16 57.27 1b4m n GLU 101 Cb 0.00 -0.03 0.17 0.00 0.00 0.00 0.00 31.44 31.57 1b4m n GLU 101 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 1b4m n LYS 102 N -2.24 2.28 -3.83 5.31 -0.00 -1.26 -5.00 118.16 113.42 1b4m n LYS 102 Ca 0.00 -2.08 -0.07 0.00 -0.00 0.00 0.00 58.31 56.16 1b4m n LYS 102 Cb 0.00 -1.46 0.00 0.00 -0.00 0.00 0.00 35.03 33.58 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 -1.52 1.95 -0.40 -1.58 1.03 -1.26 -4.94 118.70 111.98 1b4m s GLU 103 Ca 0.33 -1.18 0.04 0.00 0.03 0.00 0.00 54.97 54.18 1b4m s GLU 103 Cb 0.20 0.60 0.11 0.00 -0.80 0.00 0.00 34.13 34.24 1b4m s GLU 103 CO 0.29 -0.90 0.12 -0.80 -1.33 0.00 0.00 175.26 172.64 1b4m s ASN 104 N -3.02 4.54 0.00 0.83 -0.87 -1.26 -3.99 114.94 111.17 1b4m s ASN 104 Ca 0.14 -2.40 0.28 0.00 -1.57 0.00 0.00 52.86 49.31 1b4m s ASN 104 Cb -0.05 -1.56 1.11 0.00 -0.02 0.00 0.00 41.25 40.73 1b4m s ASN 104 CO 0.09 -0.33 1.78 0.54 -2.57 0.00 0.00 177.10 176.60 1b4m n ARG 105 N 3.92 1.15 -1.17 -0.60 5.12 -1.23 0.77 116.66 124.61 1b4m n ARG 105 Ca 0.04 -0.56 -0.25 0.00 -1.93 0.00 0.00 57.85 55.14 1b4m n ARG 105 Cb 0.39 -1.49 -0.15 0.00 -1.16 0.00 0.00 32.46 30.05 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 1.22 -0.39 3.55 -0.13 0.00 -1.19 -4.29 105.19 103.97 1b4m n GLY 106 Ca 0.17 0.50 -0.34 0.00 0.00 0.00 0.00 46.02 46.35 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 3.89 2.94 0.30 1.61 -2.14 -1.25 -2.32 118.94 121.97 1b4m s TRP 107 Ca 1.05 -0.07 -0.19 0.00 2.66 0.00 0.00 56.10 59.55 1b4m s TRP 107 Cb -0.84 -1.76 0.06 0.00 -3.10 0.00 0.00 33.47 27.83 1b4m s TRP 107 CO 0.41 0.24 0.88 -1.59 -2.66 0.00 0.00 176.95 174.23 1b4m s LYS 108 N -0.54 1.84 0.15 3.25 -2.85 -1.05 -3.22 119.74 117.31 1b4m s LYS 108 Ca 0.08 -1.17 0.03 0.00 -1.00 0.00 0.00 55.97 53.92 1b4m s LYS 108 Cb -0.12 0.53 -0.01 0.00 -2.06 0.00 0.00 37.83 36.16 1b4m s LYS 108 CO 0.02 -0.86 0.12 1.04 0.10 0.00 0.00 175.35 175.77 1b4m n GLN 109 N -0.58 0.20 0.00 1.78 3.00 0.26 -2.22 117.38 119.82 1b4m n GLN 109 Ca -0.06 -1.48 0.00 0.00 -0.01 0.00 0.00 57.00 55.45 1b4m n GLN 109 Cb 0.60 1.20 0.00 0.00 0.00 0.00 0.00 30.24 32.04 1b4m n GLN 109 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.06 174.39 1b4m n TRP 110 N -0.29 0.00 -1.02 1.08 2.14 -1.25 -4.22 117.44 113.88 1b4m n TRP 110 Ca 0.03 0.00 -0.37 0.00 2.07 0.00 0.00 57.50 59.24 1b4m n TRP 110 Cb 0.27 0.00 -0.10 0.00 -0.81 0.00 0.00 31.31 30.67 1b4m n TRP 110 CO 0.00 0.00 0.00 0.28 2.07 0.00 0.00 177.69 180.04 1b4m n VAL 111 N 0.00 0.00 -1.32 -1.67 0.31 -1.26 -4.52 118.33 109.87 1b4m n VAL 111 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 1b4m n VAL 111 Cb 0.00 -0.37 0.20 0.00 -0.91 0.00 0.00 33.84 32.77 1b4m n VAL 111 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1b4m n GLU 112 N 5.91 2.19 -1.02 5.55 -0.00 -1.18 -5.01 120.64 127.09 1b4m n GLU 112 Ca 0.45 -3.10 0.00 0.00 -0.00 0.00 0.00 57.16 54.51 1b4m n GLU 112 Cb -0.00 -1.98 0.00 0.00 -0.00 0.00 0.00 31.44 29.46 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 -1.02 -1.95 2.89 -1.84 0.00 -1.26 -4.82 105.19 97.18 1b4m n GLY 113 Ca 0.43 -0.47 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 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 -5.76 0.00 1.61 8.00 -1.26 -4.95 116.55 114.20 1b4m n ASP 114 Ca 0.00 -0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.24 1b4m n ASP 114 Cb 0.00 -4.59 0.00 0.00 -0.02 0.00 0.00 41.12 36.51 1b4m n ASP 114 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1b4m n LYS 115 N -3.73 0.00 -1.13 -1.24 2.85 -1.26 -4.18 118.16 109.46 1b4m n LYS 115 Ca -0.11 0.00 -0.07 0.00 -1.05 0.00 0.00 58.31 57.09 1b4m n LYS 115 Cb 0.61 0.00 0.04 0.00 -0.65 0.00 0.00 35.03 35.03 1b4m n LYS 115 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1b4m n LEU 116 N 0.00 0.00 -3.16 -5.58 4.77 -1.26 -3.11 117.00 108.66 1b4m n LEU 116 Ca 0.00 -0.59 -0.14 0.00 -0.03 0.00 0.00 56.01 55.25 1b4m n LEU 116 Cb 0.00 -0.19 -0.05 0.00 -2.33 0.00 0.00 43.42 40.85 1b4m n LEU 116 CO 0.00 -0.65 -0.10 -0.31 -1.33 0.00 0.00 177.39 175.01 1b4m s TYR 117 N -0.77 -0.43 -1.00 -1.77 2.02 -1.26 -4.03 117.35 110.11 1b4m s TYR 117 Ca 0.19 -1.11 -0.23 0.00 -0.37 0.00 0.00 57.07 55.55 1b4m s TYR 117 Cb -0.01 -0.26 -0.02 0.00 -0.40 0.00 0.00 41.96 41.27 1b4m s TYR 117 CO 0.13 -1.05 1.79 -1.17 -1.57 0.00 0.00 175.55 173.68 1b4m s LEU 118 N 0.87 3.29 -0.51 -1.29 0.20 -1.26 -3.94 118.68 116.04 1b4m s LEU 118 Ca 0.26 -1.13 -0.15 0.00 0.69 0.00 0.00 54.13 53.79 1b4m s LEU 118 Cb -0.04 -2.57 0.10 0.00 -0.43 0.00 0.00 46.19 43.26 1b4m s LEU 118 CO -0.09 -2.33 0.44 -1.61 -0.29 0.00 0.00 176.35 172.47 1b4m s GLU 119 N 6.19 2.95 0.20 1.98 2.02 -0.94 -3.19 118.70 127.90 1b4m s GLU 119 Ca 0.62 -1.55 0.11 0.00 0.02 0.00 0.00 54.97 54.16 1b4m s GLU 119 Cb -0.03 -4.20 -0.04 0.00 0.10 0.00 0.00 34.13 29.95 1b4m s GLU 119 CO -0.01 -1.19 -0.22 -0.48 0.02 0.00 0.00 175.26 173.39 1b4m s LEU 120 N 1.60 2.46 0.09 1.80 0.05 -1.22 -2.52 118.68 120.93 1b4m s LEU 120 Ca 0.04 -0.89 0.03 0.00 0.05 0.00 0.00 54.13 53.36 1b4m s LEU 120 Cb -0.27 -1.06 -0.03 0.00 -2.05 0.00 0.00 46.19 42.78 1b4m s LEU 120 CO 0.04 0.06 -0.10 0.28 -0.55 0.00 0.00 176.35 176.09 1b4m s THR 121 N -1.90 0.87 -0.26 5.48 -1.32 -0.98 0.16 115.64 117.69 1b4m s THR 121 Ca 0.20 -1.57 0.23 0.00 -1.21 0.00 0.00 61.69 59.34 1b4m s THR 121 Cb -0.07 -1.27 0.51 0.00 -1.51 0.00 0.00 72.50 70.16 1b4m s THR 121 CO 0.09 -0.55 1.11 0.00 -2.21 0.00 0.00 174.62 173.07 1b4m n GLY 123 N -0.58 3.18 2.64 0.00 0.00 0.23 -4.23 105.19 106.44 1b4m n GLY 123 Ca 0.08 -0.64 -0.04 0.00 0.00 0.00 0.00 46.02 45.41 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 0.00 -1.30 -0.03 1.61 5.75 -1.26 -4.59 116.55 116.73 1b4m n ASP 124 Ca 0.00 -1.83 0.04 0.00 -0.01 0.00 0.00 54.79 52.99 1b4m n ASP 124 Cb 0.00 0.98 -0.14 0.00 -1.03 0.00 0.00 41.12 40.93 1b4m n ASP 124 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 1b4m n GLN 125 N -0.54 0.75 -3.57 0.11 0.00 -1.26 -5.02 117.38 107.85 1b4m n GLN 125 Ca -0.21 -0.12 -0.14 0.00 -0.00 0.00 0.00 57.00 56.53 1b4m n GLN 125 Cb 0.69 -1.43 0.00 0.00 0.00 0.00 0.00 30.24 29.51 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 -2.28 -0.99 -1.68 1.69 3.14 -1.24 -4.87 118.33 112.10 1b4m n VAL 126 Ca -0.10 -0.14 -0.38 0.00 -2.96 0.00 0.00 64.34 60.76 1b4m n VAL 126 Cb 0.64 -0.86 0.06 0.00 -1.06 0.00 0.00 33.84 32.62 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 -3.03 0.98 0.65 0.00 3.00 -1.26 -3.40 118.95 115.90 1b4m s ARG 128 Ca 0.78 -1.82 -0.09 0.00 -1.00 0.00 0.00 55.73 53.60 1b4m s ARG 128 Cb -0.40 -1.82 0.01 0.00 0.00 0.00 0.00 34.95 32.74 1b4m s ARG 128 CO 0.44 -1.23 1.00 -0.65 0.00 0.00 0.00 175.30 174.87 1b4m s GLN 129 N 0.50 2.90 -0.01 5.12 -1.52 -1.19 -4.03 119.66 121.42 1b4m s GLN 129 Ca 0.21 0.24 0.03 0.00 -1.95 0.00 0.00 55.36 53.89 1b4m s GLN 129 Cb -0.18 -2.14 -0.01 0.00 -0.22 0.00 0.00 33.01 30.46 1b4m s GLN 129 CO -0.04 -0.86 -0.11 0.08 -0.25 0.00 0.00 175.29 174.11 1b4m s VAL 130 N -3.18 0.88 0.50 1.09 1.01 -0.69 -4.53 120.40 115.48 1b4m s VAL 130 Ca 0.56 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 62.09 1b4m s VAL 130 Cb -0.11 -0.74 -0.01 0.00 0.00 0.00 0.00 36.38 35.53 1b4m s VAL 130 CO 0.49 0.25 0.04 -0.36 0.00 0.00 0.00 175.10 175.52 1b4m s PHE 131 N -0.21 1.77 -0.30 5.22 0.40 -1.26 -2.67 117.98 120.95 1b4m s PHE 131 Ca 0.03 -1.10 -0.14 0.00 -0.60 0.00 0.00 56.93 55.13 1b4m s PHE 131 Cb -0.05 -1.46 0.14 0.00 0.51 0.00 0.00 43.02 42.17 1b4m s PHE 131 CO -0.00 0.04 0.85 0.21 0.70 0.00 0.00 175.22 177.01 1b4m s LYS 132 N -3.83 0.44 -0.69 0.44 2.47 -1.26 -4.56 119.74 112.74 1b4m s LYS 132 Ca 0.07 1.00 -0.05 0.00 -1.56 0.00 0.00 55.97 55.43 1b4m s LYS 132 Cb 0.01 0.50 -0.08 0.00 -1.46 0.00 0.00 37.83 36.80 1b4m s LYS 132 CO 0.05 -0.13 2.19 1.17 0.16 0.00 0.00 175.35 178.78 1b4m n LYS 133 N 4.88 1.89 -0.21 4.03 4.81 -1.26 -1.58 118.16 130.72 1b4m n LYS 133 Ca -0.12 -1.25 0.00 0.00 -0.87 0.00 0.00 58.31 56.07 1b4m n LYS 133 Cb 0.53 -2.29 0.00 0.00 0.02 0.00 0.00 35.03 33.29 1b4m n LYS 133 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93