#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3heb s THR 9 N 0.00 3.21 -0.23 1.55 -4.23 -0.49 -4.42 115.64 111.04 3heb s THR 9 Ca 0.00 -2.02 -0.03 0.00 -1.18 0.00 0.00 61.69 58.46 3heb s THR 9 Cb 0.00 -2.71 -0.00 0.00 1.34 0.00 0.00 72.50 71.13 3heb s THR 9 CO 0.00 -0.37 -0.04 -0.63 -0.54 0.00 0.00 174.62 173.04 3heb s ILE 10 N -2.34 3.27 0.58 2.99 1.01 -0.45 -1.34 121.20 124.92 3heb s ILE 10 Ca 0.31 -0.61 0.09 0.00 0.00 0.00 0.00 60.65 60.43 3heb s ILE 10 Cb -0.06 -2.53 0.09 0.00 0.01 0.00 0.00 42.46 39.97 3heb s ILE 10 CO 0.19 0.37 0.72 0.52 0.00 0.00 0.00 174.94 176.73 3heb n VAL 11 N 4.77 0.00 0.00 2.92 0.31 0.50 -0.78 118.33 126.05 3heb n VAL 11 Ca -0.18 -2.01 0.00 0.00 -0.01 0.00 0.00 64.34 62.14 3heb n VAL 11 Cb 0.50 -0.39 0.00 0.00 -0.91 0.00 0.00 33.84 33.04 3heb n VAL 11 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3heb n ILE 13 N -2.17 0.00 -3.80 2.52 5.41 -0.03 -0.53 119.36 120.76 3heb n ILE 13 Ca 0.12 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.74 3heb n ILE 13 Cb 0.61 0.00 -0.13 0.00 -0.71 0.00 0.00 39.64 39.41 3heb n ILE 13 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 3heb s GLU 14 N 0.00 0.13 -0.06 0.38 2.56 -0.31 -1.16 118.70 120.25 3heb s GLU 14 Ca 0.00 0.24 0.20 0.00 0.00 0.00 0.00 54.97 55.41 3heb s GLU 14 Cb 0.00 -0.00 -0.28 0.00 2.00 0.00 0.00 34.13 35.85 3heb s GLU 14 CO 0.00 -0.06 0.43 -0.40 -0.56 0.00 0.00 175.26 174.66 3heb n ASP 15 N 3.37 0.12 -4.61 -1.70 5.75 -1.26 -3.56 116.55 114.66 3heb n ASP 15 Ca -0.17 0.05 -0.43 0.00 -0.01 0.00 0.00 54.79 54.24 3heb n ASP 15 Cb 0.57 1.46 -0.02 0.00 -1.03 0.00 0.00 41.12 42.10 3heb n ASP 15 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3heb s ASP 16 N -4.95 6.70 0.51 -1.12 3.68 -1.26 -4.89 116.67 115.34 3heb s ASP 16 Ca -0.08 0.61 0.24 0.00 2.13 0.00 0.00 52.55 55.45 3heb s ASP 16 Cb 0.11 -2.55 1.39 0.00 -1.45 0.00 0.00 42.92 40.42 3heb s ASP 16 CO 0.87 -1.17 2.08 -0.07 0.13 0.00 0.00 175.17 177.01 3heb h LEU 17 N 10.98 0.00 -0.09 -1.34 3.38 -1.98 -0.08 115.31 126.17 3heb h LEU 17 Ca -0.22 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 3heb h LEU 17 Cb 1.06 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.81 3heb h LEU 17 CO 1.11 0.12 -0.10 1.23 0.09 0.00 0.00 178.44 180.88 3heb h GLY 18 N 0.62 0.25 0.94 0.83 0.00 -1.99 -2.16 103.07 101.56 3heb h GLY 18 Ca -0.00 -0.26 -0.06 0.00 0.00 0.00 0.00 47.33 47.01 3heb h GLY 18 CO 0.02 0.24 0.03 0.45 0.00 0.00 0.00 176.54 177.27 3heb h HIS 19 N -0.19 0.75 -0.40 5.60 3.86 -1.90 -1.76 115.15 121.12 3heb h HIS 19 Ca 0.01 -0.12 0.08 0.00 -1.16 0.00 0.00 60.37 59.19 3heb h HIS 19 Cb 0.62 -0.20 -0.08 0.00 1.06 0.00 0.00 27.41 28.81 3heb h HIS 19 CO 0.09 0.75 -0.16 0.00 0.86 0.00 0.00 177.93 179.47 3heb h ALA 20 N 0.90 0.16 0.00 2.45 0.00 -1.01 0.34 119.26 122.10 3heb h ALA 20 Ca 0.12 0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 3heb h ALA 20 Cb 0.43 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3heb h ALA 20 CO 0.02 -0.52 -0.19 0.00 0.00 0.00 0.00 179.25 178.55 3heb h ARG 21 N -0.08 0.00 -0.02 0.00 -0.00 -1.31 -2.05 114.38 110.93 3heb h ARG 21 Ca 0.19 0.00 -0.03 0.00 -0.50 0.00 0.00 59.98 59.65 3heb h ARG 21 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.35 3heb h ARG 21 CO -0.45 0.19 -0.09 1.25 0.00 0.00 0.00 179.97 180.87 3heb h LEU 22 N 0.00 0.11 0.10 3.04 5.85 -0.23 -2.83 115.31 121.36 3heb h LEU 22 Ca -0.00 -0.68 0.01 0.00 0.84 0.00 0.00 57.88 58.05 3heb h LEU 22 Cb 0.84 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 3heb h LEU 22 CO 0.02 0.77 -0.13 0.40 -0.34 0.00 0.00 178.44 179.16 3heb h ILE 23 N -0.54 0.70 -0.36 4.05 2.04 -0.36 -1.66 117.51 121.39 3heb h ILE 23 Ca -0.01 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.92 3heb h ILE 23 Cb 0.77 0.70 -0.06 0.00 -0.74 0.00 0.00 36.82 37.49 3heb h ILE 23 CO 0.02 0.00 0.00 -0.08 0.00 0.00 0.00 178.15 178.09 3heb h GLU 24 N -0.27 0.10 0.00 2.37 4.81 -1.46 -1.21 114.58 118.92 3heb h GLU 24 Ca 0.01 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.13 3heb h GLU 24 Cb 0.28 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 3heb h GLU 24 CO -0.05 0.07 -0.51 1.57 -0.73 0.00 0.00 179.01 179.35 3heb h LYS 25 N 0.10 0.00 0.00 1.92 2.10 -1.38 -2.44 116.57 116.87 3heb h LYS 25 Ca 0.17 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.82 3heb h LYS 25 Cb 0.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.57 3heb h LYS 25 CO -0.29 0.51 0.00 -0.91 -2.00 0.00 0.00 179.45 176.77 3heb h ASN 26 N 0.00 0.00 -0.15 7.07 2.35 -0.74 -0.56 115.58 123.55 3heb h ASN 26 Ca -0.01 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.58 3heb h ASN 26 Cb 0.92 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.29 3heb h ASN 26 CO 0.07 0.00 -0.54 0.40 -1.65 0.00 0.00 177.43 175.70 3heb h ILE 27 N 0.00 1.33 -0.71 2.81 1.08 -0.84 -2.73 117.51 118.45 3heb h ILE 27 Ca 0.00 -1.80 -0.03 0.00 -0.39 0.00 0.00 64.86 62.63 3heb h ILE 27 Cb 0.76 2.02 -0.03 0.00 -3.07 0.00 0.00 36.82 36.50 3heb h ILE 27 CO 0.00 0.56 0.31 0.03 -0.69 0.00 0.00 178.15 178.35 3heb h ARG 28 N 0.31 1.03 0.00 2.37 2.47 -0.98 -1.29 114.38 118.27 3heb h ARG 28 Ca -0.02 -0.16 -0.01 0.00 -1.26 0.00 0.00 59.98 58.52 3heb h ARG 28 Cb 1.17 -0.18 -0.00 0.00 -1.65 0.00 0.00 29.97 29.31 3heb h ARG 28 CO 0.11 0.82 -0.06 0.00 0.56 0.00 0.00 179.97 181.40 3heb h ARG 29 N 1.01 0.00 -0.00 0.04 3.08 -1.01 -0.57 114.38 116.93 3heb h ARG 29 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 3heb h ARG 29 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 3heb h ARG 29 CO -0.03 0.06 -0.04 0.00 -1.07 0.00 0.00 179.97 178.90 3heb n ALA 30 N -2.18 2.57 -0.17 0.04 0.00 -0.51 -4.89 120.51 115.39 3heb n ALA 30 Ca -0.01 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3heb n ALA 30 Cb 0.23 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.24 3heb n ALA 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3heb n GLY 31 N 1.30 0.62 3.70 0.00 0.00 -0.22 -4.68 105.19 105.92 3heb n GLY 31 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3heb n GLY 31 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3heb s VAL 32 N -2.39 3.98 -0.21 1.61 1.01 -1.11 -4.89 120.40 118.40 3heb s VAL 32 Ca 0.00 1.38 0.09 0.00 0.00 0.00 0.00 61.98 63.45 3heb s VAL 32 Cb 0.00 -3.89 0.19 0.00 0.00 0.00 0.00 36.38 32.68 3heb s VAL 32 CO 0.00 0.05 1.13 0.59 0.00 0.00 0.00 175.10 176.87 3heb n ASN 33 N 4.62 2.45 -4.74 3.32 3.02 -1.26 -4.21 115.26 118.45 3heb n ASN 33 Ca 0.11 -2.39 -0.35 0.00 -0.03 0.00 0.00 54.58 51.91 3heb n ASN 33 Cb 0.45 -0.21 0.06 0.00 -0.61 0.00 0.00 39.78 39.47 3heb n ASN 33 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3heb s ASN 34 N -1.59 4.77 0.27 6.41 -0.87 -1.26 -4.95 114.94 117.72 3heb s ASN 34 Ca 0.17 2.32 -0.30 0.00 -1.57 0.00 0.00 52.86 53.48 3heb s ASN 34 Cb 0.13 -2.59 -0.10 0.00 -0.02 0.00 0.00 41.25 38.67 3heb s ASN 34 CO 0.04 -1.87 1.46 -0.70 -2.57 0.00 0.00 177.10 173.46 3heb s GLU 35 N -3.67 4.24 -0.21 -0.60 2.12 -1.26 -4.87 118.70 114.44 3heb s GLU 35 Ca 0.75 2.36 0.02 0.00 0.36 0.00 0.00 54.97 58.46 3heb s GLU 35 Cb -0.29 -3.08 0.04 0.00 0.26 0.00 0.00 34.13 31.06 3heb s GLU 35 CO 0.39 -0.45 -0.15 0.42 -0.54 0.00 0.00 175.26 174.93 3heb s ILE 36 N -0.15 2.04 -0.31 -3.70 1.01 -1.26 -1.34 121.20 117.50 3heb s ILE 36 Ca 0.59 -1.22 -0.09 0.00 0.00 0.00 0.00 60.65 59.93 3heb s ILE 36 Cb -0.43 -2.00 -0.00 0.00 0.01 0.00 0.00 42.46 40.04 3heb s ILE 36 CO 0.46 0.27 0.13 -0.63 0.00 0.00 0.00 174.94 175.17 3heb s ILE 37 N 1.23 4.42 0.12 2.92 1.01 0.04 -5.00 121.20 125.94 3heb s ILE 37 Ca -0.01 -0.52 0.06 0.00 0.00 0.00 0.00 60.65 60.18 3heb s ILE 37 Cb -0.16 -3.27 -0.04 0.00 0.01 0.00 0.00 42.46 39.00 3heb s ILE 37 CO -0.09 0.06 0.00 0.00 0.00 0.00 0.00 174.94 174.91 3heb s ALA 38 N 1.58 3.26 -0.02 9.38 0.00 -1.26 -4.31 121.76 130.39 3heb s ALA 38 Ca 0.04 -1.21 0.01 0.00 0.00 0.00 0.00 51.96 50.80 3heb s ALA 38 Cb -0.17 -1.12 0.01 0.00 0.00 0.00 0.00 23.12 21.84 3heb s ALA 38 CO 0.05 0.61 -0.02 -0.06 0.00 0.00 0.00 175.76 176.35 3heb s PHE 39 N -1.46 0.34 -1.31 0.00 0.08 -1.26 -5.01 117.98 109.36 3heb s PHE 39 Ca 0.26 -0.04 0.19 0.00 0.12 0.00 0.00 56.93 57.46 3heb s PHE 39 Cb -0.11 -0.32 0.70 0.00 -0.57 0.00 0.00 43.02 42.72 3heb s PHE 39 CO 0.18 -0.07 1.60 0.25 -0.10 0.00 0.00 175.22 177.09 3heb n THR 40 N 3.57 1.64 -3.53 0.64 -2.24 -1.23 -1.16 114.28 111.97 3heb n THR 40 Ca -0.20 -1.16 -0.11 0.00 -2.27 0.00 0.00 64.05 60.31 3heb n THR 40 Cb 0.54 0.22 -0.03 0.00 -2.10 0.00 0.00 70.33 68.96 3heb n THR 40 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3heb s ASP 41 N -0.95 -0.43 0.22 3.42 1.47 -1.26 -4.18 116.67 114.95 3heb s ASP 41 Ca 0.50 -0.16 -0.01 0.00 1.18 0.00 0.00 52.55 54.07 3heb s ASP 41 Cb 0.31 0.57 0.20 0.00 -0.34 0.00 0.00 42.92 43.66 3heb s ASP 41 CO 0.26 -0.96 1.57 1.23 0.68 0.00 0.00 175.17 177.95 3heb h GLY 42 N 2.12 0.55 0.74 2.12 0.00 -1.93 -3.09 103.07 103.59 3heb h GLY 42 Ca -0.33 -0.59 0.01 0.00 0.00 0.00 0.00 47.33 46.42 3heb h GLY 42 CO 0.40 0.53 -0.19 -0.84 0.00 0.00 0.00 176.54 176.44 3heb h THR 43 N 0.40 0.57 -0.31 4.70 2.02 -1.97 0.19 112.91 118.52 3heb h THR 43 Ca 0.02 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.12 3heb h THR 43 Cb 0.98 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 67.95 3heb h THR 43 CO 0.09 0.00 -0.15 0.77 0.37 0.00 0.00 175.52 176.60 3heb h SER 44 N -0.41 0.52 -0.37 4.18 4.64 -2.00 -2.16 113.55 117.95 3heb h SER 44 Ca 0.01 -0.15 -0.13 0.00 -0.47 0.00 0.00 61.79 61.05 3heb h SER 44 Cb 0.39 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 3heb h SER 44 CO -0.06 0.69 -0.24 0.00 -0.87 0.00 0.00 176.83 176.35 3heb h ALA 45 N 1.36 0.77 -0.26 5.18 0.00 -1.41 -2.67 119.26 122.23 3heb h ALA 45 Ca 0.09 -0.39 -0.14 0.00 0.00 0.00 0.00 54.91 54.46 3heb h ALA 45 Cb 0.54 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3heb h ALA 45 CO 0.03 0.66 -0.43 -0.07 0.00 0.00 0.00 179.25 179.44 3heb h LEU 46 N 0.75 0.69 -1.32 0.00 3.38 -0.78 -1.16 115.31 116.87 3heb h LEU 46 Ca 0.10 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 3heb h LEU 46 Cb 0.79 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 3heb h LEU 46 CO 0.07 1.03 0.20 0.78 0.09 0.00 0.00 178.44 180.60 3heb h ASN 47 N 0.52 0.60 -0.03 -0.43 -0.26 -1.31 0.34 115.58 115.01 3heb h ASN 47 Ca 0.04 -0.06 -0.04 0.00 -0.56 0.00 0.00 56.30 55.68 3heb h ASN 47 Cb 0.96 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 38.07 3heb h ASN 47 CO 0.09 0.54 -0.13 0.22 -1.06 0.00 0.00 177.43 177.09 3heb h TYR 48 N 0.67 0.18 -0.16 1.19 3.20 -1.16 0.26 116.97 121.15 3heb h TYR 48 Ca 0.16 -0.08 -0.14 0.00 3.14 0.00 0.00 58.73 61.82 3heb h TYR 48 Cb 0.11 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 3heb h TYR 48 CO 0.01 0.77 -0.48 -0.07 -1.64 0.00 0.00 178.16 176.75 3heb h LEU 49 N -0.46 0.45 0.00 2.82 3.38 -1.03 -3.35 115.31 117.11 3heb h LEU 49 Ca -0.01 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3heb h LEU 49 Cb 0.78 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3heb h LEU 49 CO 0.03 0.86 -0.91 0.49 0.09 0.00 0.00 178.44 179.00 3heb n PHE 50 N -3.98 0.00 0.00 1.13 3.72 0.12 -4.12 117.46 114.33 3heb n PHE 50 Ca -0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.38 3heb n PHE 50 Cb 0.55 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 38.99 3heb n PHE 50 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3heb n GLY 51 N 1.50 -1.86 0.31 1.37 0.00 0.92 -1.26 105.19 106.17 3heb n GLY 51 Ca 0.00 -1.51 0.09 0.00 0.00 0.00 0.00 46.02 44.61 3heb n GLY 51 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3heb h ASP 52 N 0.00 0.51 -0.16 1.61 3.32 -1.94 0.23 116.42 119.99 3heb h ASP 52 Ca 0.00 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3heb h ASP 52 Cb 0.00 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3heb h ASP 52 CO 0.00 0.17 0.00 -0.90 -1.72 0.00 0.00 179.24 176.79 3heb n ASP 53 N -4.90 1.23 0.00 6.45 3.85 -1.26 -4.92 116.55 117.01 3heb n ASP 53 Ca 0.19 -1.74 0.00 0.00 -0.71 0.00 0.00 54.79 52.53 3heb n ASP 53 Cb 0.50 -0.10 0.00 0.00 -1.35 0.00 0.00 41.12 40.17 3heb n ASP 53 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 3heb n LYS 54 N 0.07 -0.98 0.19 0.11 4.76 0.81 -4.79 118.16 118.33 3heb n LYS 54 Ca 0.13 0.17 0.06 0.00 -2.87 0.00 0.00 58.31 55.80 3heb n LYS 54 Cb 0.24 -3.77 0.54 0.00 -1.84 0.00 0.00 35.03 30.19 3heb n LYS 54 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 3heb h SER 55 N 0.00 0.12 0.00 4.39 4.64 -1.76 -3.46 113.55 117.48 3heb h SER 55 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3heb h SER 55 Cb 0.33 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3heb h SER 55 CO 0.00 0.15 0.00 0.61 -0.87 0.00 0.00 176.83 176.72 3heb n GLY 56 N -1.32 1.33 0.35 -0.77 0.00 -0.39 -4.90 105.19 99.49 3heb n GLY 56 Ca -0.01 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.19 3heb n GLY 56 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3heb h ARG 57 N 3.42 0.00 0.00 1.61 3.08 -1.86 0.19 114.38 120.82 3heb h ARG 57 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3heb h ARG 57 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3heb h ARG 57 CO 0.00 0.00 0.00 -0.39 -1.07 0.00 0.00 179.97 178.51 3heb h VAL 58 N 0.00 0.00 -0.00 2.04 -1.51 -1.84 -0.75 116.25 114.19 3heb h VAL 58 Ca 0.10 -0.29 0.00 0.00 -1.23 0.00 0.00 66.70 65.29 3heb h VAL 58 Cb 0.65 1.12 0.00 0.00 -2.13 0.00 0.00 31.29 30.93 3heb h VAL 58 CO -0.00 0.00 -0.58 -1.20 -1.23 0.00 0.00 177.57 174.56 3heb n SER 59 N -2.64 0.68 -4.63 4.19 7.64 0.68 -4.86 113.62 114.67 3heb n SER 59 Ca 0.01 -0.48 -0.48 0.00 1.01 0.00 0.00 58.87 58.92 3heb n SER 59 Cb 0.22 0.40 -0.05 0.00 -1.01 0.00 0.00 64.21 63.77 3heb n SER 59 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3heb n ALA 60 N -1.40 1.02 -0.25 -0.43 0.00 -0.29 -0.88 120.51 118.29 3heb n ALA 60 Ca 0.06 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.66 3heb n ALA 60 Cb 0.34 -2.56 0.00 0.00 0.00 0.00 0.00 19.45 17.23 3heb n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3heb n GLY 61 N 4.94 1.24 3.77 0.00 0.00 -0.93 -4.83 105.19 109.37 3heb n GLY 61 Ca 0.27 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.89 3heb n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3heb s ARG 62 N -0.46 4.40 -0.45 1.61 0.52 -0.06 -4.37 118.95 120.15 3heb s ARG 62 Ca 0.00 1.85 -0.07 0.00 -0.52 0.00 0.00 55.73 56.99 3heb s ARG 62 Cb 0.00 -2.98 0.12 0.00 0.52 0.00 0.00 34.95 32.61 3heb s ARG 62 CO 0.00 -0.02 0.30 0.00 0.02 0.00 0.00 175.30 175.60 3heb s ALA 63 N -1.27 3.31 0.04 2.13 0.00 -1.26 -1.43 121.76 123.28 3heb s ALA 63 Ca 0.50 -2.53 -0.03 0.00 0.00 0.00 0.00 51.96 49.90 3heb s ALA 63 Cb -0.32 -2.69 -0.02 0.00 0.00 0.00 0.00 23.12 20.09 3heb s ALA 63 CO 0.41 -1.87 0.04 1.14 0.00 0.00 0.00 175.76 175.48 3heb s GLN 64 N 1.29 0.54 -0.03 0.00 -2.07 -1.26 -1.39 119.66 116.74 3heb s GLN 64 Ca 0.06 -0.86 0.06 0.00 -1.82 0.00 0.00 55.36 52.80 3heb s GLN 64 Cb -0.25 0.20 -0.01 0.00 -1.09 0.00 0.00 33.01 31.86 3heb s GLN 64 CO -0.02 -0.12 -0.19 -1.17 -1.32 0.00 0.00 175.29 172.47 3heb s LEU 65 N -2.22 2.00 -0.12 2.60 0.20 -0.45 -3.82 118.68 116.86 3heb s LEU 65 Ca -0.04 -0.37 0.01 0.00 0.69 0.00 0.00 54.13 54.42 3heb s LEU 65 Cb -0.00 -1.04 -0.01 0.00 -0.43 0.00 0.00 46.19 44.71 3heb s LEU 65 CO -0.05 0.22 -0.16 0.68 -0.29 0.00 0.00 176.35 176.74 3heb s VAL 66 N -0.28 2.77 -0.19 1.68 -7.23 -0.56 -0.37 120.40 116.21 3heb s VAL 66 Ca 0.03 -0.76 -0.10 0.00 -1.81 0.00 0.00 61.98 59.33 3heb s VAL 66 Cb -0.09 -2.14 -0.05 0.00 0.56 0.00 0.00 36.38 34.66 3heb s VAL 66 CO 0.01 0.53 0.15 -0.76 -0.31 0.00 0.00 175.10 174.72 3heb s LEU 67 N 0.35 4.23 -0.13 1.32 1.02 0.31 -0.05 118.68 125.73 3heb s LEU 67 Ca -0.13 0.28 -0.02 0.00 0.02 0.00 0.00 54.13 54.27 3heb s LEU 67 Cb -0.17 -2.12 0.04 0.00 0.02 0.00 0.00 46.19 43.97 3heb s LEU 67 CO 0.07 0.19 0.03 -0.22 0.02 0.00 0.00 176.35 176.43 3heb s LEU 68 N 0.28 0.76 0.20 1.79 2.96 -0.40 -0.85 118.68 123.42 3heb s LEU 68 Ca 0.09 -0.42 -0.30 0.00 -0.22 0.00 0.00 54.13 53.29 3heb s LEU 68 Cb -0.11 -0.46 -0.08 0.00 0.50 0.00 0.00 46.19 46.03 3heb s LEU 68 CO -0.01 -0.26 1.04 -0.62 -1.32 0.00 0.00 176.35 175.18 3heb s ASP 69 N 1.96 7.39 0.17 3.68 3.68 -0.31 -1.64 116.67 131.60 3heb s ASP 69 Ca 0.02 2.04 0.08 0.00 2.13 0.00 0.00 52.55 56.83 3heb s ASP 69 Cb -0.15 -2.61 -0.01 0.00 -1.45 0.00 0.00 42.92 38.71 3heb s ASP 69 CO -0.07 -0.09 1.40 -0.07 0.13 0.00 0.00 175.17 176.47 3heb h LEU 70 N 4.72 0.01 -8.15 -1.34 3.38 -1.90 -3.40 115.31 108.62 3heb h LEU 70 Ca -0.45 -0.01 -0.66 0.00 0.09 0.00 0.00 57.88 56.86 3heb h LEU 70 Cb 1.21 -0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.79 3heb h LEU 70 CO 0.70 0.87 0.56 0.20 0.09 0.00 0.00 178.44 180.86 3heb s ASN 71 N -6.76 6.31 0.23 -0.43 0.01 -1.26 -0.37 114.94 112.67 3heb s ASN 71 Ca 0.00 -1.38 0.09 0.00 -0.71 0.00 0.00 52.86 50.86 3heb s ASN 71 Cb 0.11 -2.39 -0.04 0.00 0.41 0.00 0.00 41.25 39.33 3heb s ASN 71 CO 0.80 -1.28 -0.04 -0.76 -1.51 0.00 0.00 177.10 174.31 3heb s LEU 72 N 3.43 3.11 0.08 0.60 1.43 -1.26 -4.68 118.68 121.39 3heb s LEU 72 Ca 0.24 -0.62 -0.17 0.00 -1.03 0.00 0.00 54.13 52.55 3heb s LEU 72 Cb -0.14 -1.69 -0.10 0.00 0.03 0.00 0.00 46.19 44.28 3heb s LEU 72 CO 0.04 0.04 1.40 1.55 0.23 0.00 0.00 176.35 179.60 3heb h PRO 73 N 2.27 0.58 -0.01 1.29 0.13 -1.95 -3.43 132.00 130.87 3heb h PRO 73 Ca -0.45 -0.30 0.00 0.00 -0.87 0.00 0.00 66.00 64.38 3heb h PRO 73 Cb 1.23 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3heb h PRO 73 CO 0.58 0.89 -0.21 -0.40 -0.23 0.00 0.00 178.00 178.63 3heb n ASP 74 N -4.37 1.51 -4.88 1.44 5.75 -1.26 -5.09 116.55 109.64 3heb n ASP 74 Ca -0.05 -1.26 -0.36 0.00 -0.01 0.00 0.00 54.79 53.12 3heb n ASP 74 Cb 0.43 0.15 -0.06 0.00 -1.03 0.00 0.00 41.12 40.61 3heb n ASP 74 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 3heb s THR 76 N -2.33 5.44 0.53 2.12 -1.32 -1.26 -4.96 115.64 113.85 3heb s THR 76 Ca 0.27 0.08 0.23 0.00 -1.21 0.00 0.00 61.69 61.06 3heb s THR 76 Cb 0.20 -3.42 0.36 0.00 -1.51 0.00 0.00 72.50 68.13 3heb s THR 76 CO 0.47 0.53 2.04 1.23 -2.21 0.00 0.00 174.62 176.68 3heb h GLY 77 N 4.63 0.00 1.01 6.08 0.00 -0.92 -1.42 103.07 112.45 3heb h GLY 77 Ca -0.53 0.00 0.07 0.00 0.00 0.00 0.00 47.33 46.87 3heb h GLY 77 CO 0.61 0.00 0.49 -2.22 0.00 0.00 0.00 176.54 175.42 3heb h ILE 78 N 0.00 1.02 -0.51 2.60 1.08 -1.91 -1.70 117.51 118.09 3heb h ILE 78 Ca 0.17 -0.26 -0.03 0.00 -0.39 0.00 0.00 64.86 64.35 3heb h ILE 78 Cb 0.71 0.18 -0.02 0.00 -3.07 0.00 0.00 36.82 34.62 3heb h ILE 78 CO -0.00 0.14 0.20 0.44 -0.69 0.00 0.00 178.15 178.24 3heb h ASP 79 N 0.77 0.71 -0.70 1.72 3.32 -1.66 -1.28 116.42 119.30 3heb h ASP 79 Ca 0.32 -0.18 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 3heb h ASP 79 Cb 0.27 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 3heb h ASP 79 CO -0.11 0.69 0.29 0.40 -1.72 0.00 0.00 179.24 178.79 3heb h ILE 80 N 0.69 1.24 -0.09 0.35 2.04 -1.44 -0.54 117.51 119.76 3heb h ILE 80 Ca 0.17 -0.76 -0.00 0.00 1.00 0.00 0.00 64.86 65.26 3heb h ILE 80 Cb 0.21 0.38 -0.00 0.00 -0.74 0.00 0.00 36.82 36.67 3heb h ILE 80 CO -0.01 0.31 0.04 0.25 0.00 0.00 0.00 178.15 178.73 3heb h LEU 81 N 1.04 0.12 -0.37 1.44 5.85 -1.00 -0.23 115.31 122.15 3heb h LEU 81 Ca 0.24 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 3heb h LEU 81 Cb 0.19 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 3heb h LEU 81 CO -0.02 0.23 0.18 0.11 -0.34 0.00 0.00 178.44 178.60 3heb h LYS 82 N -0.01 0.53 -0.46 1.25 1.57 -0.98 -0.68 116.57 117.79 3heb h LYS 82 Ca 0.03 -0.08 0.04 0.00 -1.87 0.00 0.00 60.65 58.77 3heb h LYS 82 Cb 0.15 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.33 3heb h LYS 82 CO -0.00 0.47 0.23 -0.07 -0.57 0.00 0.00 179.45 179.51 3heb h LEU 83 N 0.46 0.34 -0.13 2.94 3.38 -0.99 -1.93 115.31 119.39 3heb h LEU 83 Ca 0.13 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3heb h LEU 83 Cb 0.11 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3heb h LEU 83 CO -0.02 0.24 0.04 0.58 0.09 0.00 0.00 178.44 179.37 3heb h VAL 84 N 0.46 1.19 0.00 1.22 2.07 -0.78 -2.44 116.25 117.97 3heb h VAL 84 Ca 0.20 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.14 3heb h VAL 84 Cb 0.10 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 3heb h VAL 84 CO -0.14 0.17 0.00 0.29 0.02 0.00 0.00 177.57 177.92 3heb n LYS 85 N -4.85 0.57 -0.10 1.57 4.76 -0.28 -0.83 118.16 118.99 3heb n LYS 85 Ca -0.05 0.02 -0.20 0.00 -2.87 0.00 0.00 58.31 55.21 3heb n LYS 85 Cb 0.15 -1.50 -0.12 0.00 -1.84 0.00 0.00 35.03 31.71 3heb n LYS 85 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3heb n GLU 86 N -1.16 0.66 -2.18 1.97 1.02 -0.73 -4.76 120.64 115.46 3heb n GLU 86 Ca 0.16 0.19 -0.42 0.00 -0.02 0.00 0.00 57.16 57.07 3heb n GLU 86 Cb 0.16 -1.56 -0.03 0.00 -0.02 0.00 0.00 31.44 29.99 3heb n GLU 86 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3heb s ASN 87 N -6.72 6.84 0.24 1.62 2.47 -0.93 -4.90 114.94 113.56 3heb s ASN 87 Ca -0.33 2.38 0.22 0.00 0.42 0.00 0.00 52.86 55.55 3heb s ASN 87 Cb 0.09 -2.60 0.95 0.00 -1.45 0.00 0.00 41.25 38.25 3heb s ASN 87 CO 0.62 -0.60 1.66 -0.81 -3.72 0.00 0.00 177.10 174.25 3heb n PRO 88 N 3.28 0.16 -0.11 0.43 -0.04 -1.26 -0.47 135.00 136.99 3heb n PRO 88 Ca 0.09 0.45 0.11 0.00 -0.04 0.00 0.00 63.50 64.11 3heb n PRO 88 Cb 0.42 -1.84 0.16 0.00 -0.04 0.00 0.00 33.50 32.20 3heb n PRO 88 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3heb n HIS 89 N -2.15 0.29 0.00 0.54 8.25 -1.26 -3.57 115.22 117.31 3heb n HIS 89 Ca 0.01 -0.16 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 3heb n HIS 89 Cb 0.18 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.29 3heb n HIS 89 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3heb n THR 90 N 1.31 0.00 -0.27 1.59 -2.24 -1.06 -3.87 114.28 109.75 3heb n THR 90 Ca 0.16 0.00 0.23 0.00 -2.27 0.00 0.00 64.05 62.17 3heb n THR 90 Cb 0.56 -0.08 0.55 0.00 -2.10 0.00 0.00 70.33 69.27 3heb n THR 90 CO 0.00 0.00 0.00 0.08 -0.57 0.00 0.00 175.07 174.58 3heb h ARG 91 N 0.00 0.31 0.00 -0.78 0.11 0.13 0.93 114.38 115.08 3heb h ARG 91 Ca 0.00 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.06 3heb h ARG 91 Cb 0.11 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.12 3heb h ARG 91 CO 0.00 0.21 0.00 -2.13 0.10 0.00 0.00 179.97 178.15 3heb n ARG 92 N -4.49 0.07 -2.28 0.08 0.63 -1.26 -4.74 116.66 104.67 3heb n ARG 92 Ca 0.22 0.22 -0.42 0.00 -0.92 0.00 0.00 57.85 56.94 3heb n ARG 92 Cb 0.83 -1.61 -0.03 0.00 0.45 0.00 0.00 32.46 32.10 3heb n ARG 92 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 3heb s SER 93 N -3.44 6.92 0.04 6.15 0.01 0.32 -4.73 113.70 118.98 3heb s SER 93 Ca 0.09 2.15 -0.31 0.00 1.31 0.00 0.00 55.95 59.19 3heb s SER 93 Cb 0.12 -2.58 -0.07 0.00 0.21 0.00 0.00 66.02 63.71 3heb s SER 93 CO 0.40 -0.61 1.47 -2.16 0.41 0.00 0.00 173.24 172.75 3heb s PRO 94 N 1.45 4.26 -0.21 12.44 0.04 -1.25 -4.89 135.00 146.85 3heb s PRO 94 Ca 0.62 2.10 -0.05 0.00 0.04 0.00 0.00 61.00 63.70 3heb s PRO 94 Cb -0.33 -3.51 -0.02 0.00 0.04 0.00 0.00 34.50 30.68 3heb s PRO 94 CO 0.29 -0.60 0.01 0.08 0.04 0.00 0.00 177.00 176.82 3heb s VAL 95 N 2.21 4.01 -0.26 -0.36 1.01 -1.26 -1.50 120.40 124.25 3heb s VAL 95 Ca 0.67 -0.29 -0.04 0.00 0.00 0.00 0.00 61.98 62.32 3heb s VAL 95 Cb -0.35 -2.82 0.01 0.00 0.00 0.00 0.00 36.38 33.22 3heb s VAL 95 CO 0.29 0.42 -0.01 -0.69 0.00 0.00 0.00 175.10 175.11 3heb s VAL 96 N 1.06 3.38 -0.05 2.92 1.01 0.93 -0.88 120.40 128.76 3heb s VAL 96 Ca 0.02 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 60.94 3heb s VAL 96 Cb -0.14 -2.68 -0.02 0.00 0.00 0.00 0.00 36.38 33.53 3heb s VAL 96 CO 0.02 0.22 0.99 -0.63 0.00 0.00 0.00 175.10 175.69 3heb s ILE 97 N 1.43 4.83 -0.40 2.22 -1.09 0.13 -1.28 121.20 127.05 3heb s ILE 97 Ca 0.02 2.04 0.01 0.00 -2.23 0.00 0.00 60.65 60.50 3heb s ILE 97 Cb -0.16 -4.31 0.13 0.00 -1.58 0.00 0.00 42.46 36.54 3heb s ILE 97 CO -0.02 0.09 0.21 -0.22 -1.23 0.00 0.00 174.94 173.77 3heb s LEU 98 N 1.48 2.19 0.23 2.97 2.96 -0.65 0.27 118.68 128.13 3heb s LEU 98 Ca 0.50 -2.35 0.00 0.00 -0.22 0.00 0.00 54.13 52.06 3heb s LEU 98 Cb -0.20 -0.85 -0.05 0.00 0.50 0.00 0.00 46.19 45.60 3heb s LEU 98 CO 0.23 -0.30 0.11 0.28 -1.32 0.00 0.00 176.35 175.35 3heb s THR 99 N 0.75 0.31 0.05 3.68 -1.32 -0.72 -3.78 115.64 114.60 3heb s THR 99 Ca 0.16 -2.00 -0.25 0.00 -1.21 0.00 0.00 61.69 58.39 3heb s THR 99 Cb -0.23 -2.57 -0.17 0.00 -1.51 0.00 0.00 72.50 68.02 3heb s THR 99 CO -0.04 -0.00 1.53 0.74 -2.21 0.00 0.00 174.62 174.64 3heb h THR 100 N 2.49 0.99 -4.04 5.08 2.02 -1.88 0.40 112.91 117.97 3heb h THR 100 Ca -0.37 -0.39 -0.53 0.00 0.77 0.00 0.00 66.41 65.89 3heb h THR 100 Cb 1.25 1.24 0.11 0.00 -1.74 0.00 0.00 68.15 69.00 3heb h THR 100 CO 0.57 0.09 0.54 0.28 0.37 0.00 0.00 175.52 177.38 3heb s THR 101 N -5.44 2.53 -0.15 3.16 -1.32 -1.26 -4.36 115.64 108.80 3heb s THR 101 Ca -0.14 0.38 0.14 0.00 -1.21 0.00 0.00 61.69 60.86 3heb s THR 101 Cb 0.04 -3.19 0.37 0.00 -1.51 0.00 0.00 72.50 68.21 3heb s THR 101 CO 0.64 -0.02 1.18 -0.90 -2.21 0.00 0.00 174.62 173.32 3heb n ASP 102 N -0.98 1.64 -4.59 8.08 5.75 -1.26 -4.67 116.55 120.52 3heb n ASP 102 Ca 0.10 -3.34 -0.43 0.00 -0.01 0.00 0.00 54.79 51.12 3heb n ASP 102 Cb 0.47 -0.46 -0.03 0.00 -1.03 0.00 0.00 41.12 40.08 3heb n ASP 102 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3heb s ASP 103 N -2.85 6.00 0.45 -1.12 -1.08 -1.26 -4.90 116.67 111.91 3heb s ASP 103 Ca 0.34 1.02 0.25 0.00 -0.52 0.00 0.00 52.55 53.64 3heb s ASP 103 Cb 0.33 -2.53 1.27 0.00 -1.46 0.00 0.00 42.92 40.53 3heb s ASP 103 CO -0.06 -1.68 1.79 1.56 0.52 0.00 0.00 175.17 177.30 3heb h GLN 104 N 12.25 0.23 -0.63 4.34 1.08 -1.98 0.40 115.11 130.81 3heb h GLN 104 Ca -0.31 -0.01 -0.08 0.00 -1.45 0.00 0.00 58.65 56.80 3heb h GLN 104 Cb 1.14 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 28.50 3heb h GLN 104 CO 1.07 0.16 0.08 -0.09 -0.95 0.00 0.00 178.83 179.10 3heb h ARG 105 N 0.24 1.06 -0.23 1.46 2.43 -1.99 0.25 114.38 117.60 3heb h ARG 105 Ca 0.58 -0.30 -0.12 0.00 -0.81 0.00 0.00 59.98 59.33 3heb h ARG 105 Cb 1.76 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 31.19 3heb h ARG 105 CO -0.19 0.99 -0.37 0.93 -1.51 0.00 0.00 179.97 179.82 3heb h GLU 106 N 0.97 0.52 0.06 0.20 4.39 -0.67 -1.56 114.58 118.49 3heb h GLU 106 Ca 0.19 -0.25 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 3heb h GLU 106 Cb 0.46 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 3heb h GLU 106 CO 0.02 0.82 -0.03 0.82 -1.16 0.00 0.00 179.01 179.48 3heb h ILE 107 N 0.44 1.21 -0.55 3.13 2.04 -0.69 -1.75 117.51 121.34 3heb h ILE 107 Ca 0.04 -0.93 0.03 0.00 1.00 0.00 0.00 64.86 65.01 3heb h ILE 107 Cb 0.85 1.82 -0.04 0.00 -0.74 0.00 0.00 36.82 38.71 3heb h ILE 107 CO 0.07 0.23 0.31 1.56 0.00 0.00 0.00 178.15 180.33 3heb h GLN 108 N -0.49 0.60 -0.78 2.37 4.20 -0.92 -1.71 115.11 118.37 3heb h GLN 108 Ca -0.01 -0.04 0.03 0.00 0.06 0.00 0.00 58.65 58.70 3heb h GLN 108 Cb 0.44 -0.14 -0.05 0.00 0.30 0.00 0.00 27.48 28.03 3heb h GLN 108 CO 0.01 0.40 0.50 -0.09 -0.67 0.00 0.00 178.83 178.97 3heb h ARG 109 N 0.62 0.93 -0.55 1.46 2.43 -1.28 -0.45 114.38 117.54 3heb h ARG 109 Ca 0.23 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.29 3heb h ARG 109 Cb 0.06 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.38 3heb h ARG 109 CO -0.12 0.62 0.14 0.00 -1.51 0.00 0.00 179.97 179.10 3heb h TYR 111 N 0.77 0.78 -0.15 0.00 -1.99 -0.87 -1.15 116.97 114.36 3heb h TYR 111 Ca 0.17 -0.14 -0.01 0.00 2.00 0.00 0.00 58.73 60.76 3heb h TYR 111 Cb 0.32 -0.20 -0.01 0.00 2.00 0.00 0.00 36.73 38.84 3heb h TYR 111 CO 0.02 0.79 0.04 -0.44 -0.00 0.00 0.00 178.16 178.57 3heb h ASP 112 N 0.54 0.18 0.60 3.88 3.32 -0.92 0.29 116.42 124.31 3heb h ASP 112 Ca 0.11 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3heb h ASP 112 Cb 0.48 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.99 3heb h ASP 112 CO 0.02 0.19 0.00 0.18 -1.72 0.00 0.00 179.24 177.91 3heb n LEU 113 N -4.45 0.00 0.00 1.55 4.32 -0.46 -4.88 117.00 113.07 3heb n LEU 113 Ca -0.01 0.35 0.00 0.00 -0.02 0.00 0.00 56.01 56.33 3heb n LEU 113 Cb 0.13 -0.35 0.00 0.00 -1.62 0.00 0.00 43.42 41.58 3heb n LEU 113 CO 0.35 -0.05 0.00 0.61 -1.22 0.00 0.00 177.39 177.08 3heb n GLY 114 N 0.95 1.28 3.77 -0.72 0.00 0.09 -4.70 105.19 105.87 3heb n GLY 114 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 3heb n GLY 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3heb s ALA 115 N -2.00 3.49 0.00 4.61 0.00 -0.47 -4.78 121.76 122.61 3heb s ALA 115 Ca 0.00 1.26 -0.17 0.00 0.00 0.00 0.00 51.96 53.05 3heb s ALA 115 Cb 0.00 -3.48 -0.34 0.00 0.00 0.00 0.00 23.12 19.30 3heb s ALA 115 CO 0.00 -0.65 0.94 -0.91 0.00 0.00 0.00 175.76 175.14 3heb h ASN 116 N 3.34 0.73 -3.87 0.00 2.35 -1.35 -3.43 115.58 113.36 3heb h ASN 116 Ca -0.49 -0.93 -0.17 0.00 -0.55 0.00 0.00 56.30 54.16 3heb h ASN 116 Cb 1.23 -0.24 -0.26 0.00 0.05 0.00 0.00 38.32 39.10 3heb h ASN 116 CO 0.65 1.63 -0.47 -0.69 -1.65 0.00 0.00 177.43 176.90 3heb s VAL 117 N -2.55 0.00 -0.10 2.81 1.01 -1.05 -5.02 120.40 115.51 3heb s VAL 117 Ca -0.11 -0.03 0.03 0.00 0.00 0.00 0.00 61.98 61.87 3heb s VAL 117 Cb 0.03 -0.31 0.00 0.00 0.00 0.00 0.00 36.38 36.11 3heb s VAL 117 CO 0.91 -0.02 -0.22 -0.47 0.00 0.00 0.00 175.10 175.30 3heb s TYR 118 N 0.04 2.37 -0.06 5.22 5.04 -1.26 0.20 117.35 128.90 3heb s TYR 118 Ca -0.01 -0.99 0.02 0.00 -2.44 0.00 0.00 57.07 53.65 3heb s TYR 118 Cb -0.02 -1.61 0.02 0.00 0.35 0.00 0.00 41.96 40.70 3heb s TYR 118 CO 0.00 -0.42 -0.09 0.42 -1.34 0.00 0.00 175.55 174.13 3heb s ILE 119 N 0.46 0.92 -0.11 3.14 1.01 0.14 -4.93 121.20 121.83 3heb s ILE 119 Ca -0.17 -0.33 -0.21 0.00 0.00 0.00 0.00 60.65 59.94 3heb s ILE 119 Cb -0.17 -0.88 -0.04 0.00 0.01 0.00 0.00 42.46 41.38 3heb s ILE 119 CO 0.07 0.31 0.62 -0.89 0.00 0.00 0.00 174.94 175.05 3heb s THR 120 N 0.88 5.08 -0.01 2.92 2.01 -1.26 -1.76 115.64 123.51 3heb s THR 120 Ca -0.11 1.25 -0.30 0.00 0.31 0.00 0.00 61.69 62.84 3heb s THR 120 Cb -0.15 -3.95 -0.07 0.00 0.01 0.00 0.00 72.50 68.34 3heb s THR 120 CO 0.01 0.24 1.80 -0.54 -0.69 0.00 0.00 174.62 175.44 3heb s LYS 121 N 0.99 4.16 0.74 4.92 1.02 0.14 -4.91 119.74 126.80 3heb s LYS 121 Ca 0.32 2.39 -0.15 0.00 0.02 0.00 0.00 55.97 58.55 3heb s LYS 121 Cb -0.16 -4.06 0.05 0.00 -0.52 0.00 0.00 37.83 33.13 3heb s LYS 121 CO 0.14 -0.90 1.20 -2.14 -0.92 0.00 0.00 175.35 172.74 3heb s PRO 122 N 4.21 2.07 -0.06 -1.68 0.02 -1.26 -4.83 135.00 133.46 3heb s PRO 122 Ca 0.80 1.75 -0.22 0.00 0.02 0.00 0.00 61.00 63.35 3heb s PRO 122 Cb -0.38 -1.83 -0.17 0.00 0.02 0.00 0.00 34.50 32.14 3heb s PRO 122 CO 0.35 -1.89 0.87 0.28 -0.33 0.00 0.00 177.00 176.28 3heb h VAL 123 N -0.39 1.04 -2.61 3.83 2.07 -1.95 -3.41 116.25 114.82 3heb h VAL 123 Ca -0.47 -1.32 -0.53 0.00 0.82 0.00 0.00 66.70 65.19 3heb h VAL 123 Cb 1.29 1.78 0.03 0.00 -1.52 0.00 0.00 31.29 32.87 3heb h VAL 123 CO 0.49 0.28 1.05 0.21 0.02 0.00 0.00 177.57 179.63 3heb s ASN 124 N -5.63 6.54 0.20 0.57 3.04 -1.26 -4.86 114.94 113.53 3heb s ASN 124 Ca -0.13 2.57 -0.20 0.00 0.04 0.00 0.00 52.86 55.14 3heb s ASN 124 Cb 0.00 -2.56 0.15 0.00 -1.54 0.00 0.00 41.25 37.30 3heb s ASN 124 CO 0.52 -0.94 1.58 0.22 -3.04 0.00 0.00 177.10 175.44 3heb h TYR 125 N 8.61 -0.97 -0.78 0.43 3.20 -1.99 0.41 116.97 125.89 3heb h TYR 125 Ca -0.44 0.08 0.05 0.00 3.14 0.00 0.00 58.73 61.56 3heb h TYR 125 Cb 1.21 0.52 -0.06 0.00 1.54 0.00 0.00 36.73 39.95 3heb h TYR 125 CO 0.80 -0.39 0.47 1.49 -1.64 0.00 0.00 178.16 178.89 3heb h GLU 126 N -0.12 0.85 -0.35 1.82 4.81 -1.98 0.95 114.58 120.56 3heb h GLU 126 Ca 0.26 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.31 3heb h GLU 126 Cb 0.56 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 3heb h GLU 126 CO -0.76 0.56 -0.29 -0.91 -0.73 0.00 0.00 179.01 176.88 3heb h ASN 127 N 0.88 0.77 0.36 1.04 4.21 -1.28 -1.00 115.58 120.56 3heb h ASN 127 Ca 0.33 -0.30 -0.02 0.00 1.21 0.00 0.00 56.30 57.52 3heb h ASN 127 Cb 0.14 -0.21 0.00 0.00 -1.12 0.00 0.00 38.32 37.13 3heb h ASN 127 CO -0.16 1.01 -0.17 0.15 -1.29 0.00 0.00 177.43 176.97 3heb h PHE 128 N 0.64 -0.45 -0.93 1.19 3.04 0.53 -1.68 116.94 119.27 3heb h PHE 128 Ca 0.08 -0.01 0.09 0.00 3.98 0.00 0.00 57.97 62.11 3heb h PHE 128 Cb 0.81 0.15 -0.07 0.00 2.56 0.00 0.00 35.95 39.40 3heb h PHE 128 CO 0.04 -0.14 0.57 0.00 -2.02 0.00 0.00 178.31 176.76 3heb h ALA 129 N -0.26 1.33 -0.61 2.41 0.00 -0.83 -1.86 119.26 119.44 3heb h ALA 129 Ca -0.05 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3heb h ALA 129 Cb 0.52 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3heb h ALA 129 CO 0.08 0.24 0.12 -0.97 0.00 0.00 0.00 179.25 178.73 3heb h ASN 130 N 0.97 0.94 -0.50 0.00 -1.24 -1.14 -1.78 115.58 112.83 3heb h ASN 130 Ca 0.43 -0.25 -0.01 0.00 0.71 0.00 0.00 56.30 57.19 3heb h ASN 130 Cb 0.33 -0.25 -0.02 0.00 0.73 0.00 0.00 38.32 39.11 3heb h ASN 130 CO -0.22 0.95 0.29 0.00 -1.29 0.00 0.00 177.43 177.15 3heb h ALA 131 N 1.03 0.64 -0.75 1.57 0.00 -0.57 -0.19 119.26 120.99 3heb h ALA 131 Ca 0.19 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3heb h ALA 131 Cb 0.39 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3heb h ALA 131 CO 0.01 0.15 0.38 0.82 0.00 0.00 0.00 179.25 180.60 3heb h ILE 132 N 0.67 1.24 -0.46 0.00 2.04 -1.25 -0.89 117.51 118.85 3heb h ILE 132 Ca 0.18 -0.65 0.00 0.00 1.00 0.00 0.00 64.86 65.39 3heb h ILE 132 Cb 0.03 0.28 -0.02 0.00 -0.74 0.00 0.00 36.82 36.36 3heb h ILE 132 CO -0.03 0.28 0.30 -0.09 0.00 0.00 0.00 178.15 178.61 3heb h ARG 133 N 1.05 0.61 -0.79 2.37 2.43 -0.83 -0.45 114.38 118.77 3heb h ARG 133 Ca 0.26 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.39 3heb h ARG 133 Cb 0.09 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.47 3heb h ARG 133 CO -0.04 0.41 0.51 1.96 -1.51 0.00 0.00 179.97 181.30 3heb h GLN 134 N 0.62 1.05 -0.66 0.20 1.08 -0.54 -1.65 115.11 115.21 3heb h GLN 134 Ca 0.17 -0.08 0.08 0.00 -1.45 0.00 0.00 58.65 57.37 3heb h GLN 134 Cb -0.06 -0.23 -0.06 0.00 -0.05 0.00 0.00 27.48 27.07 3heb h GLN 134 CO -0.04 0.72 0.34 1.25 -0.95 0.00 0.00 178.83 180.15 3heb h LEU 135 N 1.07 0.46 -0.90 1.46 6.46 -0.46 0.22 115.31 123.62 3heb h LEU 135 Ca 0.29 0.05 -0.04 0.00 -0.12 0.00 0.00 57.88 58.06 3heb h LEU 135 Cb -0.09 -0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 39.77 3heb h LEU 135 CO -0.06 0.28 0.33 1.23 -0.62 0.00 0.00 178.44 179.60 3heb h GLY 136 N 0.60 1.22 1.10 3.75 0.00 -0.28 0.15 103.07 109.61 3heb h GLY 136 Ca 0.31 -0.63 -0.16 0.00 0.00 0.00 0.00 47.33 46.85 3heb h GLY 136 CO -0.23 0.60 -0.45 1.41 0.00 0.00 0.00 176.54 177.87 3heb h LEU 137 N 1.11 0.94 -0.72 3.11 3.38 -0.46 -2.78 115.31 119.88 3heb h LEU 137 Ca 0.26 -0.50 -0.08 0.00 0.09 0.00 0.00 57.88 57.65 3heb h LEU 137 Cb 0.17 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 3heb h LEU 137 CO -0.03 1.26 0.11 0.15 0.09 0.00 0.00 178.44 180.02 3heb h PHE 138 N 0.64 1.15 -0.91 1.13 3.57 -0.27 -2.81 116.94 119.44 3heb h PHE 138 Ca 0.03 -0.16 0.12 0.00 3.53 0.00 0.00 57.97 61.50 3heb h PHE 138 Cb 1.05 -0.32 -0.08 0.00 2.79 0.00 0.00 35.95 39.38 3heb h PHE 138 CO 0.07 0.97 0.54 0.35 -2.23 0.00 0.00 178.31 178.00 3heb h PHE 139 N 1.02 0.97 0.00 0.41 3.57 -0.55 -0.14 116.94 122.22 3heb h PHE 139 Ca 0.20 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.73 3heb h PHE 139 Cb 0.43 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 38.88 3heb h PHE 139 CO 0.03 0.35 0.00 0.43 -2.23 0.00 0.00 178.31 176.89 3heb n SER 140 N -4.72 0.44 -2.08 0.41 7.64 -1.06 -4.77 113.62 109.47 3heb n SER 140 Ca 0.17 0.61 -0.13 0.00 1.01 0.00 0.00 58.87 60.53 3heb n SER 140 Cb 0.36 -0.70 0.25 0.00 -1.01 0.00 0.00 64.21 63.11 3heb n SER 140 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3heb n VAL 141 N -1.98 3.00 -3.91 0.44 0.31 -0.07 -5.13 118.33 111.00 3heb n VAL 141 Ca 0.03 -1.69 -0.24 0.00 -0.01 0.00 0.00 64.34 62.43 3heb n VAL 141 Cb 0.21 -0.41 -0.17 0.00 -0.91 0.00 0.00 33.84 32.56 3heb n VAL 141 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3heb s GLN 143 N -3.04 0.95 -0.32 5.55 -1.52 -1.26 -5.12 119.66 114.89 3heb s GLN 143 Ca 0.55 -0.05 -0.11 0.00 -1.95 0.00 0.00 55.36 53.79 3heb s GLN 143 Cb 0.45 -1.14 -0.01 0.00 -0.22 0.00 0.00 33.01 32.08 3heb s GLN 143 CO 0.12 -0.24 0.20 0.08 -0.25 0.00 0.00 175.29 175.20 3heb s VAL 144 N 1.67 4.96 0.53 1.09 1.01 -1.26 -5.05 120.40 123.34 3heb s VAL 144 Ca 0.02 -0.30 -0.07 0.00 0.00 0.00 0.00 61.98 61.63 3heb s VAL 144 Cb -0.13 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 3heb s VAL 144 CO -0.05 0.04 0.86 -2.16 0.00 0.00 0.00 175.10 173.79 3heb s PRO 145 N 1.67 3.55 0.25 2.72 0.04 -1.26 -4.85 135.00 137.13 3heb s PRO 145 Ca 0.05 0.37 -0.15 0.00 0.04 0.00 0.00 61.00 61.31 3heb s PRO 145 Cb -0.17 -2.28 -0.08 0.00 0.04 0.00 0.00 34.50 32.00 3heb s PRO 145 CO 0.09 -0.32 0.67 -1.21 0.04 0.00 0.00 177.00 176.26 3heb s GLU 146 N -4.88 4.03 1.00 4.56 2.02 -1.26 -4.13 118.70 120.04 3heb s GLU 146 Ca 0.50 0.63 -0.17 0.00 0.02 0.00 0.00 54.97 55.94 3heb s GLU 146 Cb -0.10 -2.68 0.23 0.00 0.10 0.00 0.00 34.13 31.67 3heb s GLU 146 CO 0.48 0.31 1.35 0.95 0.02 0.00 0.00 175.26 178.36 3heb s THR 147 N -1.74 1.99 0.72 3.63 -4.23 -0.51 -4.89 115.64 110.61 3heb s THR 147 Ca 0.47 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.85 3heb s THR 147 Cb -0.13 -2.99 0.03 0.00 1.34 0.00 0.00 72.50 70.76 3heb s THR 147 CO 0.19 0.00 1.10 -1.61 -0.54 0.00 0.00 174.62 173.77 3heb s GLU 148 N -5.94 2.48 0.00 3.99 2.02 -1.23 -2.87 118.70 117.14 3heb s GLU 148 Ca 0.76 1.29 0.23 0.00 0.02 0.00 0.00 54.97 57.28 3heb s GLU 148 Cb -0.02 -1.92 0.19 0.00 0.10 0.00 0.00 34.13 32.47 3heb s GLU 148 CO 0.54 -1.49 1.24 0.41 0.02 0.00 0.00 175.26 175.98