#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bkd h GLU 2 N 0.00 0.31 -5.85 3.17 5.08 -1.92 -3.45 114.58 111.91 2bkd h GLU 2 Ca 0.00 -0.52 -0.63 0.00 -1.00 0.00 0.00 59.36 57.21 2bkd h GLU 2 Cb 0.00 0.19 -0.11 0.00 0.50 0.00 0.00 28.75 29.33 2bkd h GLU 2 CO 0.00 1.25 1.53 -2.00 -1.00 0.00 0.00 179.01 178.79 2bkd s GLU 3 N -2.52 3.68 0.01 2.33 -6.30 -1.26 -4.33 118.70 110.31 2bkd s GLU 3 Ca -0.19 -1.43 0.05 0.00 -2.50 0.00 0.00 54.97 50.90 2bkd s GLU 3 Cb 0.05 -5.32 -0.03 0.00 0.00 0.00 0.00 34.13 28.83 2bkd s GLU 3 CO 0.80 -2.14 -0.13 -0.51 0.02 0.00 0.00 175.26 173.30 2bkd s LEU 4 N 4.37 2.86 -0.26 2.70 2.01 -1.11 -5.01 118.68 124.24 2bkd s LEU 4 Ca 0.45 -0.28 -0.10 0.00 0.01 0.00 0.00 54.13 54.21 2bkd s LEU 4 Cb -0.00 -1.65 -0.05 0.00 0.01 0.00 0.00 46.19 44.50 2bkd s LEU 4 CO -0.06 0.28 0.15 -0.69 1.01 0.00 0.00 176.35 177.04 2bkd s VAL 5 N -0.93 5.11 0.42 -1.59 1.01 -1.26 -0.06 120.40 123.10 2bkd s VAL 5 Ca 0.15 0.10 0.07 0.00 0.00 0.00 0.00 61.98 62.30 2bkd s VAL 5 Cb -0.11 -3.40 -0.07 0.00 0.00 0.00 0.00 36.38 32.80 2bkd s VAL 5 CO 0.06 0.31 0.03 0.54 0.00 0.00 0.00 175.10 176.03 2bkd s VAL 6 N 1.44 1.97 0.02 2.92 0.11 -0.56 -4.70 120.40 121.60 2bkd s VAL 6 Ca 0.07 -1.97 0.02 0.00 -2.93 0.00 0.00 61.98 57.17 2bkd s VAL 6 Cb -0.15 -2.94 -0.04 0.00 -1.53 0.00 0.00 36.38 31.73 2bkd s VAL 6 CO 0.07 0.00 0.01 -1.61 -3.33 0.00 0.00 175.10 170.24 2bkd s GLU 7 N -3.74 2.76 0.09 1.54 2.02 -0.78 -0.89 118.70 119.70 2bkd s GLU 7 Ca 0.34 -0.65 0.03 0.00 0.02 0.00 0.00 54.97 54.70 2bkd s GLU 7 Cb 0.09 -2.65 -0.04 0.00 0.10 0.00 0.00 34.13 31.63 2bkd s GLU 7 CO 0.17 0.61 -0.08 0.14 0.02 0.00 0.00 175.26 176.12 2bkd s VAL 8 N -1.14 0.78 0.17 2.63 -7.23 -0.35 -0.03 120.40 115.23 2bkd s VAL 8 Ca 0.21 -1.72 0.06 0.00 -1.81 0.00 0.00 61.98 58.71 2bkd s VAL 8 Cb -0.12 -1.43 -0.05 0.00 0.56 0.00 0.00 36.38 35.35 2bkd s VAL 8 CO 0.12 -0.69 -0.11 0.00 -0.31 0.00 0.00 175.10 174.10 2bkd s ARG 9 N -3.17 1.17 0.00 4.82 3.03 -0.07 -1.35 118.95 123.39 2bkd s ARG 9 Ca 0.07 -1.51 0.00 0.00 2.03 0.00 0.00 55.73 56.32 2bkd s ARG 9 Cb 0.00 -0.81 0.00 0.00 -1.03 0.00 0.00 34.95 33.11 2bkd s ARG 9 CO -0.02 0.11 0.00 0.41 -1.13 0.00 0.00 175.30 174.67 2bkd n GLY 10 N -0.27 4.18 3.24 3.88 0.00 -1.26 -4.85 105.19 110.11 2bkd n GLY 10 Ca -0.09 -1.08 -0.16 0.00 0.00 0.00 0.00 46.02 44.69 2bkd n GLY 10 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2bkd n SER 11 N 0.00 -2.34 0.00 1.61 2.88 -1.26 -4.82 113.62 109.69 2bkd n SER 11 Ca 0.00 -0.56 0.00 0.00 -1.33 0.00 0.00 58.87 56.98 2bkd n SER 11 Cb 0.00 -4.74 0.00 0.00 -0.75 0.00 0.00 64.21 58.72 2bkd n SER 11 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2bkd n ASN 12 N -2.93 0.00 0.00 -3.46 5.15 -1.26 -5.03 115.26 107.74 2bkd n ASN 12 Ca -0.24 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.74 2bkd n ASN 12 Cb 0.65 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.90 2bkd n ASN 12 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2bkd n GLY 13 N -1.01 1.64 0.00 8.20 0.00 -1.26 -5.07 105.19 107.68 2bkd n GLY 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2bkd n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bkd n ALA 14 N 0.00 0.00 -2.66 4.61 0.00 -1.26 -5.07 120.51 116.13 2bkd n ALA 14 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 2bkd n ALA 14 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 2bkd n ALA 14 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2bkd s PHE 15 N -7.39 3.60 -0.04 0.00 0.08 -1.26 -4.13 117.98 108.84 2bkd s PHE 15 Ca 0.00 1.23 0.05 0.00 0.12 0.00 0.00 56.93 58.32 2bkd s PHE 15 Cb 0.00 -2.75 -0.01 0.00 -0.57 0.00 0.00 43.02 39.69 2bkd s PHE 15 CO 0.00 0.15 -0.18 1.52 -0.10 0.00 0.00 175.22 176.60 2bkd s TYR 16 N 0.57 1.77 0.20 0.36 1.13 -0.45 -4.91 117.35 116.02 2bkd s TYR 16 Ca 0.36 -0.46 -0.30 0.00 -1.41 0.00 0.00 57.07 55.26 2bkd s TYR 16 Cb -0.18 -1.18 -0.08 0.00 -1.10 0.00 0.00 41.96 39.43 2bkd s TYR 16 CO 0.18 -0.13 1.01 -1.59 -2.51 0.00 0.00 175.55 172.51 2bkd s LYS 17 N -0.13 4.71 0.00 -3.49 0.00 -1.26 -1.21 119.74 118.37 2bkd s LYS 17 Ca -0.00 1.59 0.01 0.00 0.00 0.00 0.00 55.97 57.57 2bkd s LYS 17 Cb -0.10 -3.29 -0.00 0.00 0.00 0.00 0.00 37.83 34.43 2bkd s LYS 17 CO 0.01 0.28 -0.03 0.00 0.00 0.00 0.00 175.35 175.61 2bkd s ALA 18 N -0.64 0.23 -0.27 0.59 0.00 -0.07 -4.73 121.76 116.87 2bkd s ALA 18 Ca 0.45 -0.16 -0.06 0.00 0.00 0.00 0.00 51.96 52.19 2bkd s ALA 18 Cb -0.27 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 22.81 2bkd s ALA 18 CO 0.34 0.04 0.04 -0.06 0.00 0.00 0.00 175.76 176.12 2bkd s PHE 19 N -0.19 3.10 0.14 0.00 0.08 -0.11 -1.49 117.98 119.51 2bkd s PHE 19 Ca -0.00 -0.96 -0.31 0.00 0.12 0.00 0.00 56.93 55.78 2bkd s PHE 19 Cb -0.02 -2.20 -0.11 0.00 -0.57 0.00 0.00 43.02 40.12 2bkd s PHE 19 CO -0.00 -0.56 1.82 0.08 -0.10 0.00 0.00 175.22 176.46 2bkd s VAL 20 N 1.49 2.41 -0.14 -0.44 1.01 0.92 -1.05 120.40 124.60 2bkd s VAL 20 Ca 0.03 0.02 -0.04 0.00 0.00 0.00 0.00 61.98 61.99 2bkd s VAL 20 Cb -0.16 -3.01 -0.07 0.00 0.00 0.00 0.00 36.38 33.13 2bkd s VAL 20 CO 0.01 0.00 -0.16 0.29 0.00 0.00 0.00 175.10 175.24 2bkd n LYS 21 N 5.36 0.31 -3.89 2.72 4.01 0.35 -2.76 118.16 124.26 2bkd n LYS 21 Ca 0.17 0.11 -0.11 0.00 -0.51 0.00 0.00 58.31 57.98 2bkd n LYS 21 Cb 0.37 -1.10 -0.10 0.00 -0.51 0.00 0.00 35.03 33.69 2bkd n LYS 21 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 2bkd s ASP 22 N -5.93 0.08 -0.17 4.39 2.15 -0.54 -4.87 116.67 111.77 2bkd s ASP 22 Ca -0.19 -0.32 0.00 0.00 0.43 0.00 0.00 52.55 52.47 2bkd s ASP 22 Cb 0.07 0.20 0.03 0.00 -0.30 0.00 0.00 42.92 42.92 2bkd s ASP 22 CO 0.27 -0.41 -0.10 0.68 -0.17 0.00 0.00 175.17 175.45 2bkd s VAL 23 N -1.73 1.44 0.00 1.11 -7.23 -1.26 -0.56 120.40 112.17 2bkd s VAL 23 Ca -0.12 -0.72 0.00 0.00 -1.81 0.00 0.00 61.98 59.32 2bkd s VAL 23 Cb -0.06 -1.47 0.00 0.00 0.56 0.00 0.00 36.38 35.41 2bkd s VAL 23 CO -0.00 0.28 0.00 1.21 -0.31 0.00 0.00 175.10 176.27 2bkd n GLU 25 N 4.78 0.00 0.00 4.82 2.13 -1.26 -5.00 120.64 126.12 2bkd n GLU 25 Ca -0.15 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.67 2bkd n GLU 25 Cb 0.48 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.19 2bkd n GLU 25 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2bkd n ASP 26 N 0.10 0.00 -3.10 4.31 2.03 -1.26 -5.15 116.55 113.48 2bkd n ASP 26 Ca 0.00 -0.69 -0.15 0.00 0.52 0.00 0.00 54.79 54.47 2bkd n ASP 26 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 2bkd n ASP 26 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 2bkd s SER 27 N 0.00 1.04 -0.06 1.67 0.01 -1.26 -4.46 113.70 110.64 2bkd s SER 27 Ca 0.00 -1.54 0.03 0.00 1.31 0.00 0.00 55.95 55.75 2bkd s SER 27 Cb 0.00 0.69 0.00 0.00 0.21 0.00 0.00 66.02 66.93 2bkd s SER 27 CO 0.00 -1.35 -0.16 -0.51 0.41 0.00 0.00 173.24 171.63 2bkd s ILE 28 N -2.86 1.36 -0.19 1.44 2.07 -0.11 -4.45 121.20 118.46 2bkd s ILE 28 Ca 0.30 -0.64 -0.03 0.00 -1.41 0.00 0.00 60.65 58.87 2bkd s ILE 28 Cb -0.01 -1.20 -0.01 0.00 0.13 0.00 0.00 42.46 41.37 2bkd s ILE 28 CO 0.22 0.40 -0.06 -0.89 -1.91 0.00 0.00 174.94 172.69 2bkd s THR 29 N 0.34 3.39 0.14 4.00 2.01 0.28 -1.37 115.64 124.43 2bkd s THR 29 Ca -0.10 -0.51 -0.03 0.00 0.31 0.00 0.00 61.69 61.36 2bkd s THR 29 Cb -0.14 -2.51 -0.03 0.00 0.01 0.00 0.00 72.50 69.83 2bkd s THR 29 CO 0.04 0.46 0.11 0.68 -0.69 0.00 0.00 174.62 175.21 2bkd s VAL 30 N 1.04 0.10 -0.17 3.82 -7.23 0.14 -0.49 120.40 117.60 2bkd s VAL 30 Ca 0.00 -1.78 -0.18 0.00 -1.81 0.00 0.00 61.98 58.22 2bkd s VAL 30 Cb -0.15 -1.98 0.05 0.00 0.56 0.00 0.00 36.38 34.86 2bkd s VAL 30 CO -0.00 -0.44 0.50 0.00 -0.31 0.00 0.00 175.10 174.85 2bkd s ALA 31 N -4.02 -1.24 0.31 1.32 0.00 -0.22 -1.71 121.76 116.20 2bkd s ALA 31 Ca 0.22 1.34 -0.09 0.00 0.00 0.00 0.00 51.96 53.42 2bkd s ALA 31 Cb 0.06 -0.72 -0.07 0.00 0.00 0.00 0.00 23.12 22.40 2bkd s ALA 31 CO 0.01 -0.25 0.64 -0.06 0.00 0.00 0.00 175.76 176.11 2bkd s PHE 32 N 0.08 3.44 -0.99 0.00 0.08 -1.26 -0.93 117.98 118.41 2bkd s PHE 32 Ca -0.01 0.91 -0.26 0.00 0.12 0.00 0.00 56.93 57.69 2bkd s PHE 32 Cb -0.03 -2.31 -0.21 0.00 -0.57 0.00 0.00 43.02 39.89 2bkd s PHE 32 CO 0.01 0.10 2.14 -1.91 -0.10 0.00 0.00 175.22 175.47 2bkd n GLU 33 N -0.74 0.18 0.00 0.44 2.13 -1.26 -4.60 120.64 116.79 2bkd n GLU 33 Ca 0.01 -1.45 0.00 0.00 0.66 0.00 0.00 57.16 56.38 2bkd n GLU 33 Cb 0.53 -3.76 0.00 0.00 0.27 0.00 0.00 31.44 28.48 2bkd n GLU 33 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2bkd n ASN 34 N 19.10 0.00 -1.21 4.31 4.05 -1.26 -4.58 115.26 135.67 2bkd n ASN 34 Ca 0.41 0.00 -0.00 0.00 0.45 0.00 0.00 54.58 55.43 2bkd n ASN 34 Cb 0.46 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.47 2bkd n ASN 34 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 2bkd n ASN 35 N 0.89 3.94 0.00 1.20 5.15 -1.26 -3.85 115.26 121.33 2bkd n ASN 35 Ca 0.00 -2.18 0.00 0.00 -0.60 0.00 0.00 54.58 51.80 2bkd n ASN 35 Cb 0.00 -0.75 0.00 0.00 -0.53 0.00 0.00 39.78 38.50 2bkd n ASN 35 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 2bkd n TRP 36 N 0.86 -0.29 -3.81 1.20 7.02 -1.26 -5.16 117.44 116.00 2bkd n TRP 36 Ca 0.01 0.00 -0.08 0.00 -1.02 0.00 0.00 57.50 56.41 2bkd n TRP 36 Cb 0.51 0.34 -0.02 0.00 -2.42 0.00 0.00 31.31 29.72 2bkd n TRP 36 CO 0.00 0.00 0.00 1.14 -2.02 0.00 0.00 177.69 176.81 2bkd s GLN 37 N -0.67 1.73 -0.13 -0.99 1.03 -1.25 -5.08 119.66 114.30 2bkd s GLN 37 Ca 0.00 -0.93 -0.17 0.00 0.04 0.00 0.00 55.36 54.30 2bkd s GLN 37 Cb 0.00 0.61 -0.15 0.00 0.03 0.00 0.00 33.01 33.50 2bkd s GLN 37 CO 0.00 -0.79 0.42 -1.00 -2.54 0.00 0.00 175.29 171.38 2bkd h PRO 38 N 2.00 0.00 -2.96 9.60 0.13 -1.93 -3.43 132.00 135.41 2bkd h PRO 38 Ca -0.21 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.74 2bkd h PRO 38 Cb 1.26 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 32.09 2bkd h PRO 38 CO 0.25 0.59 -0.47 0.34 -0.23 0.00 0.00 178.00 178.48 2bkd s ASP 39 N -5.99 -0.23 -0.02 1.44 2.15 -1.26 -4.79 116.67 107.96 2bkd s ASP 39 Ca -0.12 0.58 -0.07 0.00 0.43 0.00 0.00 52.55 53.36 2bkd s ASP 39 Cb -0.01 0.49 0.01 0.00 -0.30 0.00 0.00 42.92 43.10 2bkd s ASP 39 CO 0.41 -0.18 0.16 -0.60 -0.17 0.00 0.00 175.17 174.79 2bkd s ARG 40 N 1.40 0.39 -0.10 4.34 3.00 -0.70 -5.02 118.95 122.26 2bkd s ARG 40 Ca -0.08 -0.14 0.04 0.00 -1.00 0.00 0.00 55.73 54.54 2bkd s ARG 40 Cb -0.10 0.17 0.00 0.00 0.00 0.00 0.00 34.95 35.01 2bkd s ARG 40 CO -0.09 -0.08 -0.23 -1.14 0.00 0.00 0.00 175.30 173.75 2bkd s GLN 41 N -0.81 2.97 0.00 5.12 0.74 -1.26 -0.68 119.66 125.74 2bkd s GLN 41 Ca -0.09 -0.85 0.07 0.00 0.05 0.00 0.00 55.36 54.54 2bkd s GLN 41 Cb -0.05 -2.26 -0.02 0.00 1.10 0.00 0.00 33.01 31.78 2bkd s GLN 41 CO 0.01 0.16 -0.23 0.42 -0.55 0.00 0.00 175.29 175.10 2bkd s ILE 42 N 0.39 1.83 0.80 -2.34 1.01 -0.47 -5.00 121.20 117.42 2bkd s ILE 42 Ca -0.18 -1.09 -0.11 0.00 0.00 0.00 0.00 60.65 59.28 2bkd s ILE 42 Cb -0.18 -1.54 0.07 0.00 0.01 0.00 0.00 42.46 40.83 2bkd s ILE 42 CO 0.08 0.43 1.11 -2.16 0.00 0.00 0.00 174.94 174.39 2bkd s PRO 43 N -0.78 2.00 0.00 2.79 0.04 -1.26 -0.93 135.00 136.86 2bkd s PRO 43 Ca 0.09 1.27 0.00 0.00 0.04 0.00 0.00 61.00 62.40 2bkd s PRO 43 Cb -0.09 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.59 2bkd s PRO 43 CO 0.00 -1.85 0.00 1.19 0.04 0.00 0.00 177.00 176.38 2bkd n PHE 44 N -3.62 0.00 0.00 0.56 3.72 -1.26 -3.43 117.46 113.43 2bkd n PHE 44 Ca 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 2bkd n PHE 44 Cb 0.53 -0.15 0.00 0.00 -0.94 0.00 0.00 39.48 38.91 2bkd n PHE 44 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2bkd n ASP 46 N 1.39 0.00 -4.91 4.37 8.00 -1.26 -3.58 116.55 120.56 2bkd n ASP 46 Ca 0.00 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.20 2bkd n ASP 46 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.06 2bkd n ASP 46 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2bkd s VAL 47 N 0.00 5.19 -0.06 2.53 1.01 -1.22 -0.89 120.40 126.95 2bkd s VAL 47 Ca 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 61.98 61.80 2bkd s VAL 47 Cb 0.00 -3.67 0.04 0.00 0.00 0.00 0.00 36.38 32.74 2bkd s VAL 47 CO 0.00 -0.06 0.12 -0.60 0.00 0.00 0.00 175.10 174.56 2bkd s ARG 48 N -2.97 0.02 -0.34 2.72 3.52 0.96 -4.20 118.95 118.66 2bkd s ARG 48 Ca 0.40 0.40 -0.27 0.00 -0.13 0.00 0.00 55.73 56.13 2bkd s ARG 48 Cb -0.12 -0.27 0.02 0.00 -1.56 0.00 0.00 34.95 33.02 2bkd s ARG 48 CO 0.27 -0.24 0.99 -0.06 -0.81 0.00 0.00 175.30 175.46 2bkd s PHE 49 N 1.65 3.11 0.82 5.12 0.40 -0.79 -1.86 117.98 126.43 2bkd s PHE 49 Ca -0.03 0.97 -0.12 0.00 -0.60 0.00 0.00 56.93 57.15 2bkd s PHE 49 Cb -0.12 -3.67 0.08 0.00 0.51 0.00 0.00 43.02 39.83 2bkd s PHE 49 CO -0.05 -0.79 1.17 -1.25 0.70 0.00 0.00 175.22 175.00 2bkd s PRO 50 N 3.56 1.92 0.03 0.24 0.04 -1.26 -4.96 135.00 134.57 2bkd s PRO 50 Ca 0.41 0.14 -0.30 0.00 0.04 0.00 0.00 61.00 61.29 2bkd s PRO 50 Cb -0.12 -1.94 -0.07 0.00 0.04 0.00 0.00 34.50 32.40 2bkd s PRO 50 CO 0.17 -1.63 1.66 -2.14 0.04 0.00 0.00 177.00 175.09 2bkd s PRO 51 N -5.54 4.20 0.00 0.56 0.02 -1.26 -4.97 135.00 128.00 2bkd s PRO 51 Ca 0.62 2.29 0.00 0.00 0.02 0.00 0.00 61.00 63.93 2bkd s PRO 51 Cb -0.11 -3.72 0.00 0.00 0.02 0.00 0.00 34.50 30.68 2bkd s PRO 51 CO 0.50 -0.76 0.01 -0.35 -0.33 0.00 0.00 177.00 176.06 2bkd n PRO 52 N 6.06 0.00 0.00 5.54 -0.04 -1.26 -5.03 135.00 140.27 2bkd n PRO 52 Ca 0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 2bkd n PRO 52 Cb 0.41 -0.41 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 2bkd n PRO 52 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2bkd n VAL 53 N -0.39 0.00 1.03 0.52 0.24 -1.26 -4.92 118.33 113.54 2bkd n VAL 53 Ca 0.00 0.00 0.12 0.00 -2.04 0.00 0.00 64.34 62.42 2bkd n VAL 53 Cb 0.00 0.00 0.58 0.00 -1.47 0.00 0.00 33.84 32.95 2bkd n VAL 53 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2bkd n GLY 54 N 5.00 -1.19 0.33 7.63 0.00 -1.26 -5.00 105.19 110.70 2bkd n GLY 54 Ca 0.00 -0.10 0.04 0.00 0.00 0.00 0.00 46.02 45.96 2bkd n GLY 54 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2bkd n TYR 55 N -1.37 -0.83 -0.07 1.61 9.36 -1.26 -4.78 117.16 119.81 2bkd n TYR 55 Ca 0.09 0.42 -0.11 0.00 3.32 0.00 0.00 57.90 61.63 2bkd n TYR 55 Cb 0.23 -0.76 -0.08 0.00 -0.63 0.00 0.00 39.34 38.10 2bkd n TYR 55 CO 0.00 0.00 0.00 -0.97 0.22 0.00 0.00 176.86 176.11 2bkd h ASN 56 N -0.31 0.00 -5.25 2.98 -0.73 -2.01 -3.49 115.58 106.78 2bkd h ASN 56 Ca -0.00 -0.53 -0.09 0.00 1.87 0.00 0.00 56.30 57.54 2bkd h ASN 56 Cb 0.30 0.00 -0.12 0.00 0.27 0.00 0.00 38.32 38.77 2bkd h ASN 56 CO 0.01 0.95 -0.27 -1.59 -0.37 0.00 0.00 177.43 176.16 2bkd s LYS 57 N -2.09 1.22 0.01 6.67 -2.85 -1.26 -5.04 119.74 116.40 2bkd s LYS 57 Ca -0.16 -1.15 0.00 0.00 -1.00 0.00 0.00 55.97 53.66 2bkd s LYS 57 Cb 0.00 0.40 0.00 0.00 -2.06 0.00 0.00 37.83 36.17 2bkd s LYS 57 CO 0.44 -0.46 0.00 -3.47 0.10 0.00 0.00 175.35 171.97 2bkd n ASP 58 N -0.24 1.57 -4.80 0.03 2.03 -1.26 -4.98 116.55 108.89 2bkd n ASP 58 Ca -0.07 -1.05 -0.33 0.00 0.52 0.00 0.00 54.79 53.85 2bkd n ASP 58 Cb 0.63 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 41.01 2bkd n ASP 58 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2bkd s ILE 59 N -0.58 3.89 -0.58 5.18 2.07 -1.26 -4.95 121.20 124.96 2bkd s ILE 59 Ca 0.00 1.04 0.06 0.00 -1.41 0.00 0.00 60.65 60.34 2bkd s ILE 59 Cb -0.00 -3.46 0.32 0.00 0.13 0.00 0.00 42.46 39.45 2bkd s ILE 59 CO 0.00 -0.38 0.89 0.59 -1.91 0.00 0.00 174.94 174.13 2bkd n ASN 60 N -1.41 4.12 0.00 4.50 5.03 -1.26 -5.08 115.26 121.17 2bkd n ASN 60 Ca 0.09 -3.59 0.00 0.00 0.87 0.00 0.00 54.58 51.94 2bkd n ASN 60 Cb 0.53 -0.59 0.00 0.00 -1.02 0.00 0.00 39.78 38.70 2bkd n ASN 60 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2bkd n GLU 61 N 0.03 0.00 0.00 3.52 1.02 -1.26 -4.82 120.64 119.12 2bkd n GLU 61 Ca 0.30 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.44 2bkd n GLU 61 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.83 2bkd n GLU 61 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2bkd n SER 62 N 2.27 0.00 -0.08 1.62 2.88 -1.26 -4.75 113.62 114.30 2bkd n SER 62 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2bkd n SER 62 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2bkd n SER 62 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2bkd n ASP 63 N 2.57 0.00 -4.93 -3.46 2.03 -1.26 -4.84 116.55 106.66 2bkd n ASP 63 Ca 0.00 0.00 -0.20 0.00 0.52 0.00 0.00 54.79 55.11 2bkd n ASP 63 Cb 0.00 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 2bkd n ASP 63 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2bkd s GLU 64 N 4.26 3.09 0.21 -0.67 0.41 -1.26 -3.07 118.70 121.66 2bkd s GLU 64 Ca 0.00 -1.01 0.01 0.00 -0.41 0.00 0.00 54.97 53.56 2bkd s GLU 64 Cb 0.00 -2.72 -0.05 0.00 -1.78 0.00 0.00 34.13 29.58 2bkd s GLU 64 CO 0.00 0.22 0.06 0.14 -0.49 0.00 0.00 175.26 175.19 2bkd s VAL 65 N -2.15 0.52 -0.10 2.63 -7.23 -0.36 -3.94 120.40 109.77 2bkd s VAL 65 Ca 0.39 -1.98 0.01 0.00 -1.81 0.00 0.00 61.98 58.59 2bkd s VAL 65 Cb -0.08 -2.36 -0.02 0.00 0.56 0.00 0.00 36.38 34.47 2bkd s VAL 65 CO 0.29 -0.23 -0.12 -1.61 -0.31 0.00 0.00 175.10 173.11 2bkd s GLU 66 N -4.00 3.09 -0.08 4.82 0.41 0.08 -1.33 118.70 121.69 2bkd s GLU 66 Ca 0.31 -0.66 0.03 0.00 -0.41 0.00 0.00 54.97 54.24 2bkd s GLU 66 Cb 0.07 -2.58 0.01 0.00 -1.78 0.00 0.00 34.13 29.85 2bkd s GLU 66 CO 0.09 0.39 -0.18 0.08 -0.49 0.00 0.00 175.26 175.14 2bkd s VAL 67 N -0.09 1.60 0.12 2.63 1.01 -0.16 -0.62 120.40 124.89 2bkd s VAL 67 Ca -0.01 -0.75 -0.31 0.00 0.00 0.00 0.00 61.98 60.90 2bkd s VAL 67 Cb -0.14 -1.41 -0.09 0.00 0.00 0.00 0.00 36.38 34.74 2bkd s VAL 67 CO 0.03 0.46 1.59 -0.31 0.00 0.00 0.00 175.10 176.88 2bkd s TYR 68 N 0.49 2.79 -0.18 5.22 2.02 -1.19 -0.87 117.35 125.63 2bkd s TYR 68 Ca -0.16 0.51 -0.03 0.00 -0.37 0.00 0.00 57.07 57.02 2bkd s TYR 68 Cb -0.17 -3.93 -0.02 0.00 -0.40 0.00 0.00 41.96 37.45 2bkd s TYR 68 CO 0.06 -3.55 -0.07 -1.54 -1.57 0.00 0.00 175.55 168.89 2bkd s SER 69 N 1.71 4.35 -0.37 2.29 1.04 -1.26 -4.48 113.70 116.98 2bkd s SER 69 Ca 0.71 -0.30 -0.09 0.00 0.48 0.00 0.00 55.95 56.75 2bkd s SER 69 Cb -0.41 -1.71 0.03 0.00 0.10 0.00 0.00 66.02 64.03 2bkd s SER 69 CO 0.32 0.08 0.18 0.00 0.98 0.00 0.00 173.24 174.79 2bkd s ARG 70 N 0.86 2.74 0.31 4.02 1.70 -1.26 -4.88 118.95 122.44 2bkd s ARG 70 Ca -0.02 -1.14 0.00 0.00 -0.47 0.00 0.00 55.73 54.11 2bkd s ARG 70 Cb -0.15 -3.65 0.00 0.00 -0.57 0.00 0.00 34.95 30.59 2bkd s ARG 70 CO 0.01 -0.71 0.00 0.00 -1.08 0.00 0.00 175.30 173.52 2bkd n ALA 71 N 4.93 0.00 0.00 7.88 0.00 -1.26 -1.87 120.51 130.19 2bkd n ALA 71 Ca -0.12 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.31 2bkd n ALA 71 Cb 0.45 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.90 2bkd n ALA 71 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2bkd n ASN 72 N 1.48 0.56 0.00 0.00 3.02 -1.26 -5.07 115.26 113.99 2bkd n ASN 72 Ca 0.00 0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 2bkd n ASN 72 Cb 0.00 -0.27 0.00 0.00 -0.61 0.00 0.00 39.78 38.90 2bkd n ASN 72 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 2bkd n GLU 73 N -3.02 0.00 -0.41 3.52 0.28 -0.78 -4.92 120.64 115.30 2bkd n GLU 73 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.98 2bkd n GLU 73 Cb 0.06 -0.03 0.00 0.00 1.43 0.00 0.00 31.44 32.90 2bkd n GLU 73 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2bkd n LYS 74 N -2.10 0.00 -2.11 3.44 3.00 -1.26 -4.54 118.16 114.60 2bkd n LYS 74 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 58.31 58.27 2bkd n LYS 74 Cb 0.00 -3.76 0.00 0.00 0.00 0.00 0.00 35.03 31.27 2bkd n LYS 74 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2bkd n GLU 75 N -2.00 0.34 -0.59 1.64 1.02 -1.26 -5.17 120.64 114.61 2bkd n GLU 75 Ca 0.00 -0.83 -0.24 0.00 -0.02 0.00 0.00 57.16 56.06 2bkd n GLU 75 Cb 0.00 0.94 0.22 0.00 -0.02 0.00 0.00 31.44 32.58 2bkd n GLU 75 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 2bkd n PRO 76 N -0.19 -3.36 -1.38 3.49 -0.02 -1.26 -4.87 135.00 127.41 2bkd n PRO 76 Ca -0.02 -1.33 -0.39 0.00 -2.02 0.00 0.00 63.50 59.74 2bkd n PRO 76 Cb 0.20 -1.41 -0.02 0.00 -0.02 0.00 0.00 33.50 32.25 2bkd n PRO 76 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2bkd n TRP 79 N 0.81 -0.48 0.00 0.00 8.01 -1.26 -4.98 117.44 119.54 2bkd n TRP 79 Ca 0.10 -0.91 0.00 0.00 -1.31 0.00 0.00 57.50 55.38 2bkd n TRP 79 Cb 0.46 0.14 0.00 0.00 -2.01 0.00 0.00 31.31 29.89 2bkd n TRP 79 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.69 177.59 2bkd n TRP 80 N -0.21 0.00 -3.05 -5.99 7.02 -0.05 -4.97 117.44 110.19 2bkd n TRP 80 Ca 0.02 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.10 2bkd n TRP 80 Cb 0.21 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.04 2bkd n TRP 80 CO 0.00 0.00 0.00 -0.48 -2.02 0.00 0.00 177.69 175.19 2bkd s LEU 81 N 0.00 4.46 0.03 -0.99 0.05 -1.26 -0.99 118.68 119.98 2bkd s LEU 81 Ca 0.00 1.38 -0.01 0.00 0.05 0.00 0.00 54.13 55.55 2bkd s LEU 81 Cb 0.00 -3.14 -0.02 0.00 -2.05 0.00 0.00 46.19 40.97 2bkd s LEU 81 CO 0.00 0.07 -0.01 0.00 -0.55 0.00 0.00 176.35 175.85 2bkd s ALA 82 N -0.23 0.19 -0.28 1.48 0.00 -0.44 -1.98 121.76 120.50 2bkd s ALA 82 Ca 0.36 -0.73 -0.07 0.00 0.00 0.00 0.00 51.96 51.52 2bkd s ALA 82 Cb -0.20 0.19 -0.01 0.00 0.00 0.00 0.00 23.12 23.10 2bkd s ALA 82 CO 0.22 -0.23 0.08 0.15 0.00 0.00 0.00 175.76 175.97 2bkd s LYS 83 N -2.22 3.31 -0.02 0.00 -0.14 0.22 -1.22 119.74 119.66 2bkd s LYS 83 Ca -0.09 -0.71 -0.21 0.00 -1.36 0.00 0.00 55.97 53.60 2bkd s LYS 83 Cb -0.04 -3.35 -0.05 0.00 -1.68 0.00 0.00 37.83 32.71 2bkd s LYS 83 CO -0.04 -0.35 0.61 0.08 -0.76 0.00 0.00 175.35 174.90 2bkd s VAL 84 N 1.54 4.95 -0.23 3.17 1.01 -1.18 -1.37 120.40 128.30 2bkd s VAL 84 Ca 0.04 1.28 -0.07 0.00 0.00 0.00 0.00 61.98 63.23 2bkd s VAL 84 Cb -0.16 -3.95 -0.12 0.00 0.00 0.00 0.00 36.38 32.15 2bkd s VAL 84 CO 0.03 0.38 -0.27 0.54 0.00 0.00 0.00 175.10 175.78 2bkd n ARG 85 N 3.00 0.52 -3.77 2.72 3.00 -0.66 -4.73 116.66 116.73 2bkd n ARG 85 Ca -0.06 0.19 -0.10 0.00 -0.01 0.00 0.00 57.85 57.87 2bkd n ARG 85 Cb 0.51 -1.37 -0.05 0.00 0.00 0.00 0.00 32.46 31.55 2bkd n ARG 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2bkd s MET 86 N -2.43 1.27 -0.13 5.56 0.23 -1.25 -4.84 119.30 117.71 2bkd s MET 86 Ca -0.32 -0.91 0.02 0.00 -1.03 0.00 0.00 55.69 53.45 2bkd s MET 86 Cb 0.11 0.48 -0.00 0.00 -1.53 0.00 0.00 34.83 33.89 2bkd s MET 86 CO 0.45 -0.52 -0.19 0.42 -2.03 0.00 0.00 175.02 173.15 2bkd s ILE 87 N -3.88 2.45 -0.38 3.16 1.01 -1.26 -1.83 121.20 120.47 2bkd s ILE 87 Ca 0.10 -0.86 0.01 0.00 0.00 0.00 0.00 60.65 59.90 2bkd s ILE 87 Cb 0.01 -2.00 0.12 0.00 0.01 0.00 0.00 42.46 40.60 2bkd s ILE 87 CO -0.04 0.54 0.16 -0.75 0.00 0.00 0.00 174.94 174.84 2bkd s LYS 88 N 0.60 1.15 -0.55 2.79 2.20 0.11 -5.01 119.74 121.02 2bkd s LYS 88 Ca -0.11 -1.68 -0.24 0.00 -0.36 0.00 0.00 55.97 53.59 2bkd s LYS 88 Cb -0.16 -2.41 0.04 0.00 -1.51 0.00 0.00 37.83 33.78 2bkd s LYS 88 CO 0.03 -1.06 0.64 0.41 -0.36 0.00 0.00 175.35 175.02 2bkd n GLY 89 N 4.12 -0.51 4.05 5.54 0.00 -1.26 -1.66 105.19 115.46 2bkd n GLY 89 Ca 0.04 1.01 0.00 0.00 0.00 0.00 0.00 46.02 47.07 2bkd n GLY 89 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2bkd n GLU 90 N -0.87 0.00 -3.30 1.61 1.02 -1.26 -4.99 120.64 112.86 2bkd n GLU 90 Ca -0.10 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.66 2bkd n GLU 90 Cb 0.64 -0.08 -0.06 0.00 -0.02 0.00 0.00 31.44 31.92 2bkd n GLU 90 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2bkd s PHE 91 N 0.00 3.57 -0.10 -0.32 0.08 -0.66 -2.88 117.98 117.66 2bkd s PHE 91 Ca 0.00 0.98 0.01 0.00 0.12 0.00 0.00 56.93 58.04 2bkd s PHE 91 Cb 0.00 -2.55 -0.02 0.00 -0.57 0.00 0.00 43.02 39.88 2bkd s PHE 91 CO 0.00 0.25 -0.14 0.71 -0.10 0.00 0.00 175.22 175.94 2bkd s TYR 92 N 0.30 2.76 -0.30 0.36 1.51 0.16 0.04 117.35 122.17 2bkd s TYR 92 Ca 0.27 -0.53 -0.17 0.00 -1.01 0.00 0.00 57.07 55.64 2bkd s TYR 92 Cb -0.16 -1.77 -0.02 0.00 -0.11 0.00 0.00 41.96 39.90 2bkd s TYR 92 CO 0.12 -0.11 0.45 0.08 -1.11 0.00 0.00 175.55 174.98 2bkd s VAL 93 N 0.03 5.10 0.04 0.71 1.01 -0.76 -1.86 120.40 124.67 2bkd s VAL 93 Ca -0.05 0.50 0.08 0.00 0.00 0.00 0.00 61.98 62.51 2bkd s VAL 93 Cb -0.14 -3.83 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 2bkd s VAL 93 CO 0.04 -0.01 -0.22 0.27 0.00 0.00 0.00 175.10 175.19 2bkd s ILE 94 N 2.22 1.77 -0.15 2.22 -0.00 -0.31 -1.66 121.20 125.29 2bkd s ILE 94 Ca 0.17 -1.21 -0.05 0.00 -0.00 0.00 0.00 60.65 59.56 2bkd s ILE 94 Cb -0.16 -1.52 -0.03 0.00 -0.00 0.00 0.00 42.46 40.74 2bkd s ILE 94 CO 0.11 0.27 0.02 -0.70 -0.00 0.00 0.00 174.94 174.64 2bkd s GLU 95 N -1.11 3.66 0.04 0.37 2.12 -0.47 -0.78 118.70 122.53 2bkd s GLU 95 Ca 0.08 -0.41 -0.03 0.00 0.36 0.00 0.00 54.97 54.97 2bkd s GLU 95 Cb -0.09 -3.02 -0.04 0.00 0.26 0.00 0.00 34.13 31.23 2bkd s GLU 95 CO 0.02 0.36 0.24 0.71 -0.54 0.00 0.00 175.26 176.05 2bkd s TYR 96 N 0.07 3.53 -0.15 5.30 2.02 -1.26 -0.61 117.35 126.25 2bkd s TYR 96 Ca 0.03 0.40 -0.11 0.00 -0.37 0.00 0.00 57.07 57.02 2bkd s TYR 96 Cb -0.13 -1.87 -0.05 0.00 -0.40 0.00 0.00 41.96 39.51 2bkd s TYR 96 CO 0.02 0.59 0.22 0.00 -1.57 0.00 0.00 175.55 174.81 2bkd s ALA 97 N -1.43 3.69 0.00 3.71 0.00 -0.84 -4.41 121.76 122.48 2bkd s ALA 97 Ca 0.32 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.74 2bkd s ALA 97 Cb -0.13 -2.24 0.00 0.00 0.00 0.00 0.00 23.12 20.75 2bkd s ALA 97 CO 0.22 0.25 0.00 0.00 0.00 0.00 0.00 175.76 176.23 2bkd n ALA 98 N 3.09 0.00 -0.05 0.00 0.00 -1.26 -4.53 120.51 117.76 2bkd n ALA 98 Ca -0.15 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.18 2bkd n ALA 98 Cb 0.53 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.92 2bkd n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bkd n ASP 100 N -4.81 3.15 -4.84 0.00 -0.08 -1.26 -5.16 116.55 103.56 2bkd n ASP 100 Ca -0.04 -3.02 -0.29 0.00 -1.51 0.00 0.00 54.79 49.92 2bkd n ASP 100 Cb 0.16 0.36 0.11 0.00 2.34 0.00 0.00 41.12 44.08 2bkd n ASP 100 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2bkd s ALA 101 N -2.81 2.25 0.20 -1.67 0.00 -1.26 -4.94 121.76 113.53 2bkd s ALA 101 Ca 0.01 -0.53 0.03 0.00 0.00 0.00 0.00 51.96 51.48 2bkd s ALA 101 Cb 0.00 -3.01 -0.01 0.00 0.00 0.00 0.00 23.12 20.10 2bkd s ALA 101 CO 0.01 -1.90 0.12 -2.37 0.00 0.00 0.00 175.76 171.61 2bkd n THR 102 N -3.50 0.00 0.00 0.00 5.66 -1.26 -4.99 114.28 110.19 2bkd n THR 102 Ca 0.07 -1.31 0.00 0.00 -3.05 0.00 0.00 64.05 59.76 2bkd n THR 102 Cb 0.59 0.56 0.00 0.00 -1.55 0.00 0.00 70.33 69.94 2bkd n THR 102 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 175.07 170.80 2bkd n TYR 103 N -0.43 0.00 -3.64 1.09 4.01 -1.26 -4.95 117.16 111.98 2bkd n TYR 103 Ca 0.00 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.67 2bkd n TYR 103 Cb 0.33 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.29 2bkd n TYR 103 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2bkd s ASN 104 N -1.00 -0.75 -0.03 7.72 2.20 -1.26 -4.79 114.94 117.03 2bkd s ASN 104 Ca 0.00 1.26 0.07 0.00 -0.94 0.00 0.00 52.86 53.25 2bkd s ASN 104 Cb 0.00 1.30 -0.02 0.00 -2.00 0.00 0.00 41.25 40.53 2bkd s ASN 104 CO 0.00 -0.20 -0.25 -0.70 -2.94 0.00 0.00 177.10 173.01 2bkd s GLU 105 N 1.22 2.20 -0.28 3.55 2.56 0.04 -4.98 118.70 123.02 2bkd s GLU 105 Ca -0.07 -0.90 -0.13 0.00 0.00 0.00 0.00 54.97 53.88 2bkd s GLU 105 Cb -0.05 -2.03 -0.04 0.00 2.00 0.00 0.00 34.13 34.01 2bkd s GLU 105 CO -0.14 0.49 0.26 0.96 -0.56 0.00 0.00 175.26 176.27 2bkd s ILE 106 N -0.44 5.26 0.16 -3.70 -4.36 -1.26 -1.16 121.20 115.69 2bkd s ILE 106 Ca 0.05 0.31 -0.01 0.00 -0.26 0.00 0.00 60.65 60.74 2bkd s ILE 106 Cb -0.11 -3.60 -0.04 0.00 1.25 0.00 0.00 42.46 39.96 2bkd s ILE 106 CO 0.01 0.21 0.07 0.68 0.24 0.00 0.00 174.94 176.14 2bkd s VAL 107 N 1.88 0.14 0.19 8.37 -7.23 -0.78 -4.97 120.40 118.00 2bkd s VAL 107 Ca 0.10 -1.94 0.02 0.00 -1.81 0.00 0.00 61.98 58.34 2bkd s VAL 107 Cb -0.16 -2.19 -0.04 0.00 0.56 0.00 0.00 36.38 34.55 2bkd s VAL 107 CO 0.11 -0.33 0.35 0.42 -0.31 0.00 0.00 175.10 175.34 2bkd s THR 108 N -4.03 5.26 0.58 5.32 -4.23 -1.26 -0.66 115.64 116.61 2bkd s THR 108 Ca 0.28 -0.61 0.29 0.00 -1.18 0.00 0.00 61.69 60.47 2bkd s THR 108 Cb 0.07 -3.77 0.40 0.00 1.34 0.00 0.00 72.50 70.54 2bkd s THR 108 CO 0.05 -0.19 1.92 0.16 -0.54 0.00 0.00 174.62 176.02 2bkd h ILE 109 N 1.47 0.44 -1.14 2.99 -2.65 -1.89 0.07 117.51 116.80 2bkd h ILE 109 Ca -0.49 0.00 0.33 0.00 1.03 0.00 0.00 64.86 65.73 2bkd h ILE 109 Cb 1.20 0.63 -0.10 0.00 -2.05 0.00 0.00 36.82 36.50 2bkd h ILE 109 CO 0.67 0.00 0.75 -0.08 0.03 0.00 0.00 178.15 179.51 2bkd h GLU 110 N 0.00 0.25 -0.39 0.16 4.81 -1.95 -1.01 114.58 116.45 2bkd h GLU 110 Ca 0.24 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 2bkd h GLU 110 Cb 1.20 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.52 2bkd h GLU 110 CO -0.00 0.17 0.00 0.54 -0.73 0.00 0.00 179.01 178.98 2bkd n ARG 111 N -4.59 2.39 -4.41 1.92 1.74 0.01 -5.00 116.66 108.72 2bkd n ARG 111 Ca 0.29 -2.18 -0.30 0.00 -0.77 0.00 0.00 57.85 54.89 2bkd n ARG 111 Cb 1.09 -1.44 -0.12 0.00 -1.02 0.00 0.00 32.46 30.96 2bkd n ARG 111 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2bkd s LEU 112 N -1.26 2.57 0.02 0.55 1.43 -0.38 -3.20 118.68 118.42 2bkd s LEU 112 Ca 0.35 -0.58 0.03 0.00 -1.03 0.00 0.00 54.13 52.89 2bkd s LEU 112 Cb 0.20 -1.45 -0.02 0.00 0.03 0.00 0.00 46.19 44.95 2bkd s LEU 112 CO 0.27 0.20 -0.09 -0.13 0.23 0.00 0.00 176.35 176.82 2bkd s ARG 113 N -1.96 0.66 0.48 1.70 1.81 0.21 -4.93 118.95 116.92 2bkd s ARG 113 Ca 0.16 -0.55 -0.19 0.00 -1.72 0.00 0.00 55.73 53.43 2bkd s ARG 113 Cb -0.10 -0.58 -0.09 0.00 -0.45 0.00 0.00 34.95 33.73 2bkd s ARG 113 CO 0.08 0.14 1.00 0.45 -0.68 0.00 0.00 175.30 176.29 2bkd s SER 114 N -0.87 6.53 -0.20 0.23 0.15 -1.26 -0.74 113.70 117.54 2bkd s SER 114 Ca -0.01 1.77 0.23 0.00 0.70 0.00 0.00 55.95 58.63 2bkd s SER 114 Cb -0.06 -2.54 0.47 0.00 -1.71 0.00 0.00 66.02 62.18 2bkd s SER 114 CO 0.00 -0.65 1.15 0.55 1.20 0.00 0.00 173.24 175.50 2bkd n VAL 115 N -1.09 0.88 -0.02 4.45 3.14 -1.25 -4.73 118.33 119.70 2bkd n VAL 115 Ca 0.08 -2.30 -0.03 0.00 -2.96 0.00 0.00 64.34 59.12 2bkd n VAL 115 Cb 0.53 1.20 -0.01 0.00 -1.06 0.00 0.00 33.84 34.51 2bkd n VAL 115 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 2bkd n ASN 116 N -0.40 1.12 -0.13 6.55 2.85 -1.26 -4.80 115.26 119.18 2bkd n ASN 116 Ca 0.04 0.17 0.10 0.00 -0.11 0.00 0.00 54.58 54.79 2bkd n ASN 116 Cb 0.88 -0.47 0.56 0.00 1.24 0.00 0.00 39.78 41.98 2bkd n ASN 116 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2bkd n PRO 117 N -3.58 1.18 -3.29 1.20 -0.04 -1.26 -4.88 135.00 124.33 2bkd n PRO 117 Ca -0.05 -0.27 -0.31 0.00 -0.04 0.00 0.00 63.50 62.83 2bkd n PRO 117 Cb 0.20 -1.34 -0.04 0.00 -0.04 0.00 0.00 33.50 32.27 2bkd n PRO 117 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2bkd s ASN 118 N -1.64 6.57 0.24 3.54 2.20 -1.26 -5.10 114.94 119.49 2bkd s ASN 118 Ca 0.31 0.92 0.01 0.00 -0.94 0.00 0.00 52.86 53.16 2bkd s ASN 118 Cb 0.15 -2.23 -0.04 0.00 -2.00 0.00 0.00 41.25 37.14 2bkd s ASN 118 CO 0.25 -0.17 0.42 -0.54 -2.94 0.00 0.00 177.10 174.12 2bkd s LYS 119 N -3.21 3.49 0.00 3.55 3.01 -1.26 -5.07 119.74 120.26 2bkd s LYS 119 Ca 0.47 -0.43 0.00 0.00 -1.01 0.00 0.00 55.97 55.01 2bkd s LYS 119 Cb -0.11 -2.81 0.00 0.00 -1.01 0.00 0.00 37.83 33.90 2bkd s LYS 119 CO 0.25 0.35 0.64 -0.35 0.51 0.00 0.00 175.35 176.75 2bkd n PRO 120 N -1.07 0.00 -3.66 -1.68 -0.04 -1.26 -4.33 135.00 122.96 2bkd n PRO 120 Ca -0.06 0.39 -0.06 0.00 -0.04 0.00 0.00 63.50 63.73 2bkd n PRO 120 Cb 0.55 -1.25 -0.07 0.00 -0.04 0.00 0.00 33.50 32.69 2bkd n PRO 120 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bkd s ALA 121 N -2.90 -1.66 0.00 0.55 0.00 -1.23 -1.89 121.76 114.62 2bkd s ALA 121 Ca 0.00 2.11 0.00 0.00 0.00 0.00 0.00 51.96 54.07 2bkd s ALA 121 Cb 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 23.12 21.72 2bkd s ALA 121 CO 0.00 -0.54 0.00 -2.37 0.00 0.00 0.00 175.76 172.85 2bkd n THR 122 N 4.72 0.00 -0.31 0.00 5.66 -1.26 -4.83 114.28 118.26 2bkd n THR 122 Ca -0.17 0.00 0.13 0.00 -3.05 0.00 0.00 64.05 60.95 2bkd n THR 122 Cb 0.55 0.00 0.30 0.00 -1.55 0.00 0.00 70.33 69.63 2bkd n THR 122 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 2bkd h LYS 123 N 0.00 0.43 0.00 1.09 1.79 -2.00 -2.01 116.57 115.87 2bkd h LYS 123 Ca 0.00 -0.03 -0.09 0.00 -2.18 0.00 0.00 60.65 58.35 2bkd h LYS 123 Cb 0.00 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.54 2bkd h LYS 123 CO 0.00 0.29 -0.43 0.38 -1.08 0.00 0.00 179.45 178.61 2bkd h ASP 124 N 0.45 0.00 0.19 0.86 2.03 -1.98 -2.35 116.42 115.62 2bkd h ASP 124 Ca 0.55 0.00 -0.20 0.00 -0.73 0.00 0.00 57.03 56.65 2bkd h ASP 124 Cb 1.01 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.51 2bkd h ASP 124 CO -0.50 0.43 -0.78 0.71 -1.03 0.00 0.00 179.24 178.06 2bkd h THR 125 N 0.00 1.36 -0.26 1.15 1.35 -1.84 -3.45 112.91 111.22 2bkd h THR 125 Ca -0.00 -2.17 -0.16 0.00 -0.55 0.00 0.00 66.41 63.53 2bkd h THR 125 Cb 0.78 2.15 -0.08 0.00 -1.73 0.00 0.00 68.15 69.27 2bkd h THR 125 CO 0.06 0.66 0.21 0.49 -0.25 0.00 0.00 175.52 176.68 2bkd n PHE 126 N -3.84 0.82 0.00 4.73 3.72 -0.80 -5.02 117.46 117.08 2bkd n PHE 126 Ca -0.05 -1.27 0.00 0.00 -0.05 0.00 0.00 57.45 56.07 2bkd n PHE 126 Cb 0.74 -0.63 0.00 0.00 -0.94 0.00 0.00 39.48 38.65 2bkd n PHE 126 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 2bkd n LYS 128 N 0.58 0.00 -3.30 -1.08 2.85 -1.26 -5.08 118.16 110.86 2bkd n LYS 128 Ca 0.16 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 57.03 2bkd n LYS 128 Cb 0.64 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.96 2bkd n LYS 128 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 2bkd s ILE 129 N 0.00 4.86 -0.27 0.58 1.09 -1.26 -5.05 121.20 121.15 2bkd s ILE 129 Ca 0.00 1.14 -0.23 0.00 -1.10 0.00 0.00 60.65 60.46 2bkd s ILE 129 Cb 0.00 -3.87 -0.01 0.00 -1.06 0.00 0.00 42.46 37.53 2bkd s ILE 129 CO 0.00 0.51 0.75 -0.54 -0.10 0.00 0.00 174.94 175.57 2bkd s LYS 130 N -0.78 4.06 -0.11 2.79 1.02 -1.26 -5.04 119.74 120.42 2bkd s LYS 130 Ca 0.28 0.67 -0.05 0.00 0.02 0.00 0.00 55.97 56.89 2bkd s LYS 130 Cb -0.18 -3.68 0.05 0.00 -0.52 0.00 0.00 37.83 33.49 2bkd s LYS 130 CO 0.17 -0.56 0.24 -1.17 -0.92 0.00 0.00 175.35 173.11 2bkd s LEU 131 N 2.79 0.19 -0.53 3.17 2.96 -1.26 -5.10 118.68 120.90 2bkd s LEU 131 Ca 0.31 0.51 -0.23 0.00 -0.22 0.00 0.00 54.13 54.50 2bkd s LEU 131 Cb -0.15 0.66 0.04 0.00 0.50 0.00 0.00 46.19 47.24 2bkd s LEU 131 CO 0.10 -0.19 0.88 -1.81 -1.32 0.00 0.00 176.35 174.00 2bkd s ASP 132 N 1.67 6.34 -0.13 3.68 1.01 -1.26 -5.04 116.67 122.95 2bkd s ASP 132 Ca -0.05 -0.36 -0.08 0.00 0.71 0.00 0.00 52.55 52.77 2bkd s ASP 132 Cb -0.11 -2.41 -0.04 0.00 1.01 0.00 0.00 42.92 41.36 2bkd s ASP 132 CO -0.08 -1.13 0.16 0.54 0.21 0.00 0.00 175.17 174.87 2bkd s VAL 133 N 3.68 5.46 -2.00 -1.27 0.11 -1.26 -5.29 120.40 119.82 2bkd s VAL 133 Ca 0.29 0.25 0.30 0.00 -2.93 0.00 0.00 61.98 59.88 2bkd s VAL 133 Cb -0.13 -3.44 0.85 0.00 -1.53 0.00 0.00 36.38 32.13 2bkd s VAL 133 CO 0.19 0.58 2.12 -0.81 -3.33 0.00 0.00 175.10 173.84