#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bkd n GLU 2 N 0.00 -0.97 0.00 0.03 2.13 -1.26 -5.04 120.64 115.52 2bkd n GLU 2 Ca 0.00 0.72 0.00 0.00 0.66 0.00 0.00 57.16 58.54 2bkd n GLU 2 Cb 0.00 -3.80 0.00 0.00 0.27 0.00 0.00 31.44 27.91 2bkd n GLU 2 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2bkd n GLU 3 N -1.96 0.00 -4.95 5.31 1.02 -1.26 -5.08 120.64 113.71 2bkd n GLU 3 Ca -0.02 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.80 2bkd n GLU 3 Cb 0.53 -0.06 -0.14 0.00 -0.02 0.00 0.00 31.44 31.76 2bkd n GLU 3 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2bkd s LEU 4 N -3.71 2.51 -0.23 -4.62 2.01 -1.26 -5.05 118.68 108.34 2bkd s LEU 4 Ca 0.00 -0.33 -0.09 0.00 0.01 0.00 0.00 54.13 53.72 2bkd s LEU 4 Cb 0.00 -1.48 -0.04 0.00 0.01 0.00 0.00 46.19 44.67 2bkd s LEU 4 CO 0.00 0.32 0.12 -0.69 1.01 0.00 0.00 176.35 177.11 2bkd s VAL 5 N -0.75 5.08 0.39 -1.59 1.01 -1.26 -0.97 120.40 122.31 2bkd s VAL 5 Ca 0.12 0.08 0.08 0.00 0.00 0.00 0.00 61.98 62.25 2bkd s VAL 5 Cb -0.10 -3.35 -0.07 0.00 0.00 0.00 0.00 36.38 32.85 2bkd s VAL 5 CO 0.01 0.37 -0.02 0.54 0.00 0.00 0.00 175.10 176.01 2bkd s VAL 6 N 0.97 2.02 -0.11 2.92 0.11 -0.14 -4.63 120.40 121.54 2bkd s VAL 6 Ca 0.06 -2.06 -0.01 0.00 -2.93 0.00 0.00 61.98 57.05 2bkd s VAL 6 Cb -0.13 -2.88 0.03 0.00 -1.53 0.00 0.00 36.38 31.86 2bkd s VAL 6 CO 0.03 -0.06 -0.06 -0.70 -3.33 0.00 0.00 175.10 170.98 2bkd s GLU 7 N -3.69 1.42 0.18 1.54 2.12 -0.81 -0.98 118.70 118.47 2bkd s GLU 7 Ca 0.34 -0.24 0.07 0.00 0.36 0.00 0.00 54.97 55.51 2bkd s GLU 7 Cb 0.08 -1.56 -0.04 0.00 0.26 0.00 0.00 34.13 32.86 2bkd s GLU 7 CO 0.17 -0.29 0.02 0.14 -0.54 0.00 0.00 175.26 174.76 2bkd s VAL 8 N 1.73 3.80 -0.39 3.70 -7.23 -0.14 -0.93 120.40 120.95 2bkd s VAL 8 Ca 0.05 -1.42 0.05 0.00 -1.81 0.00 0.00 61.98 58.85 2bkd s VAL 8 Cb -0.13 -2.92 0.45 0.00 0.56 0.00 0.00 36.38 34.34 2bkd s VAL 8 CO -0.08 -0.13 1.36 -2.11 -0.31 0.00 0.00 175.10 173.83 2bkd n ARG 9 N -0.21 3.41 0.00 4.82 1.85 0.23 -1.62 116.66 125.14 2bkd n ARG 9 Ca -0.09 -4.03 0.00 0.00 -1.00 0.00 0.00 57.85 52.73 2bkd n ARG 9 Cb 0.55 -2.28 0.00 0.00 -1.05 0.00 0.00 32.46 29.68 2bkd n ARG 9 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2bkd n GLY 10 N -0.72 0.89 0.00 2.89 0.00 -1.26 -4.78 105.19 102.21 2bkd n GLY 10 Ca 0.47 -1.29 0.07 0.00 0.00 0.00 0.00 46.02 45.27 2bkd n GLY 10 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2bkd n SER 11 N 0.00 0.00 0.24 1.61 3.41 -1.26 -2.13 113.62 115.49 2bkd n SER 11 Ca 0.00 0.50 0.14 0.00 -0.26 0.00 0.00 58.87 59.25 2bkd n SER 11 Cb 0.00 -0.50 0.38 0.00 -0.26 0.00 0.00 64.21 63.83 2bkd n SER 11 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 2bkd h ASN 12 N 0.00 0.00 -3.86 4.04 -0.00 -1.96 -3.47 115.58 110.33 2bkd h ASN 12 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 56.30 56.14 2bkd h ASN 12 Cb 0.25 0.00 0.09 0.00 -0.00 0.00 0.00 38.32 38.65 2bkd h ASN 12 CO 0.00 0.02 -0.39 0.61 -0.00 0.00 0.00 177.43 177.67 2bkd n GLY 13 N 0.65 0.03 3.86 1.57 0.00 -0.90 -5.01 105.19 105.38 2bkd n GLY 13 Ca 0.02 -0.17 0.02 0.00 0.00 0.00 0.00 46.02 45.90 2bkd n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bkd s ALA 14 N -3.18 -2.29 -0.27 4.61 0.00 -1.26 -5.11 121.76 114.26 2bkd s ALA 14 Ca 0.02 0.18 -0.13 0.00 0.00 0.00 0.00 51.96 52.03 2bkd s ALA 14 Cb -0.00 0.72 -0.04 0.00 0.00 0.00 0.00 23.12 23.79 2bkd s ALA 14 CO 0.37 -1.11 0.30 -0.06 0.00 0.00 0.00 175.76 175.26 2bkd s PHE 15 N -2.17 3.25 -0.04 0.00 0.08 -1.26 -4.29 117.98 113.54 2bkd s PHE 15 Ca 0.24 0.32 0.05 0.00 0.12 0.00 0.00 56.93 57.65 2bkd s PHE 15 Cb 0.01 -2.49 -0.01 0.00 -0.57 0.00 0.00 43.02 39.97 2bkd s PHE 15 CO -0.01 -0.17 -0.19 1.52 -0.10 0.00 0.00 175.22 176.27 2bkd s TYR 16 N 1.86 1.84 0.06 0.36 1.13 -0.64 -4.91 117.35 117.04 2bkd s TYR 16 Ca 0.12 -0.52 -0.31 0.00 -1.41 0.00 0.00 57.07 54.95 2bkd s TYR 16 Cb -0.16 -1.23 -0.06 0.00 -1.10 0.00 0.00 41.96 39.41 2bkd s TYR 16 CO 0.10 -0.17 1.32 0.15 -2.51 0.00 0.00 175.55 174.43 2bkd s LYS 17 N -0.02 4.35 -0.06 -3.49 1.02 -1.26 -0.96 119.74 119.32 2bkd s LYS 17 Ca -0.03 1.92 -0.04 0.00 0.02 0.00 0.00 55.97 57.84 2bkd s LYS 17 Cb -0.12 -3.38 0.03 0.00 -0.52 0.00 0.00 37.83 33.84 2bkd s LYS 17 CO 0.02 -0.41 0.15 0.00 -0.92 0.00 0.00 175.35 174.19 2bkd s ALA 18 N 1.47 -0.32 -0.18 5.17 0.00 -0.16 -4.74 121.76 123.00 2bkd s ALA 18 Ca 0.62 0.55 -0.03 0.00 0.00 0.00 0.00 51.96 53.09 2bkd s ALA 18 Cb -0.32 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.44 2bkd s ALA 18 CO 0.28 -0.11 -0.06 -0.06 0.00 0.00 0.00 175.76 175.81 2bkd s PHE 19 N 0.60 2.94 -0.07 0.00 0.08 0.14 -0.96 117.98 120.71 2bkd s PHE 19 Ca -0.04 -0.67 -0.30 0.00 0.12 0.00 0.00 56.93 56.04 2bkd s PHE 19 Cb -0.06 -2.00 -0.05 0.00 -0.57 0.00 0.00 43.02 40.34 2bkd s PHE 19 CO -0.03 -0.31 1.53 0.08 -0.10 0.00 0.00 175.22 176.39 2bkd s VAL 20 N 0.88 3.76 -0.18 -0.44 1.01 -0.15 -0.56 120.40 124.72 2bkd s VAL 20 Ca -0.01 0.95 -0.12 0.00 0.00 0.00 0.00 61.98 62.80 2bkd s VAL 20 Cb -0.15 -3.61 -0.21 0.00 0.00 0.00 0.00 36.38 32.41 2bkd s VAL 20 CO 0.01 -0.07 0.16 1.17 0.00 0.00 0.00 175.10 176.37 2bkd n LYS 21 N 6.80 0.66 -3.71 2.72 4.81 0.10 -3.99 118.16 125.56 2bkd n LYS 21 Ca 0.16 0.36 -0.14 0.00 -0.87 0.00 0.00 58.31 57.82 2bkd n LYS 21 Cb 0.43 -1.68 -0.09 0.00 0.02 0.00 0.00 35.03 33.72 2bkd n LYS 21 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2bkd s ASP 22 N -6.97 -0.40 0.24 3.14 2.15 -0.96 -4.99 116.67 108.88 2bkd s ASP 22 Ca -0.28 0.60 0.08 0.00 0.43 0.00 0.00 52.55 53.38 2bkd s ASP 22 Cb 0.08 0.66 -0.05 0.00 -0.30 0.00 0.00 42.92 43.30 2bkd s ASP 22 CO 0.66 -0.32 -0.13 0.68 -0.17 0.00 0.00 175.17 175.88 2bkd s VAL 23 N -0.51 1.87 0.02 1.11 -7.23 -1.26 -0.86 120.40 113.54 2bkd s VAL 23 Ca -0.06 -2.23 -0.17 0.00 -1.81 0.00 0.00 61.98 57.71 2bkd s VAL 23 Cb -0.03 -2.21 -0.35 0.00 0.56 0.00 0.00 36.38 34.35 2bkd s VAL 23 CO 0.03 -0.47 1.00 -0.33 -0.31 0.00 0.00 175.10 175.02 2bkd h GLU 25 N 2.42 0.53 0.08 4.82 3.07 -2.05 -3.50 114.58 119.95 2bkd h GLU 25 Ca -0.39 -0.87 -0.28 0.00 -0.50 0.00 0.00 59.36 57.32 2bkd h GLU 25 Cb 1.23 0.32 -0.02 0.00 -0.84 0.00 0.00 28.75 29.45 2bkd h GLU 25 CO 0.63 1.42 -1.48 0.38 -1.40 0.00 0.00 179.01 178.56 2bkd h ASP 26 N 0.10 0.25 -5.41 1.42 2.03 -2.04 -3.50 116.42 109.27 2bkd h ASP 26 Ca -0.24 -0.77 -0.25 0.00 -0.73 0.00 0.00 57.03 55.04 2bkd h ASP 26 Cb 2.08 -0.08 -0.15 0.00 -0.83 0.00 0.00 39.33 40.35 2bkd h ASP 26 CO 0.26 1.62 -0.62 -0.44 -1.03 0.00 0.00 179.24 179.03 2bkd s SER 27 N -6.95 0.32 -0.06 4.15 0.01 -1.26 -4.36 113.70 105.55 2bkd s SER 27 Ca -0.24 -1.38 0.03 0.00 1.31 0.00 0.00 55.95 55.68 2bkd s SER 27 Cb 0.05 0.34 0.01 0.00 0.21 0.00 0.00 66.02 66.63 2bkd s SER 27 CO 0.71 -0.81 -0.13 -0.51 0.41 0.00 0.00 173.24 172.90 2bkd s ILE 28 N -4.09 1.17 -0.15 1.44 2.07 0.34 -4.58 121.20 117.40 2bkd s ILE 28 Ca 0.38 -0.53 -0.01 0.00 -1.41 0.00 0.00 60.65 59.08 2bkd s ILE 28 Cb 0.07 -1.05 -0.01 0.00 0.13 0.00 0.00 42.46 41.60 2bkd s ILE 28 CO 0.12 0.36 -0.10 -0.89 -1.91 0.00 0.00 174.94 172.51 2bkd s THR 29 N 0.45 3.20 0.02 4.00 2.01 -0.04 -1.46 115.64 123.82 2bkd s THR 29 Ca -0.11 -0.60 -0.01 0.00 0.31 0.00 0.00 61.69 61.28 2bkd s THR 29 Cb -0.14 -2.37 -0.02 0.00 0.01 0.00 0.00 72.50 69.98 2bkd s THR 29 CO 0.03 0.50 -0.00 0.68 -0.69 0.00 0.00 174.62 175.14 2bkd s VAL 30 N 0.56 0.11 -0.01 3.82 -7.23 -0.73 -0.72 120.40 116.20 2bkd s VAL 30 Ca -0.07 -0.93 0.01 0.00 -1.81 0.00 0.00 61.98 59.19 2bkd s VAL 30 Cb -0.15 -0.36 0.00 0.00 0.56 0.00 0.00 36.38 36.43 2bkd s VAL 30 CO 0.03 -0.51 -0.04 0.00 -0.31 0.00 0.00 175.10 174.28 2bkd s ALA 31 N -1.60 0.36 0.16 1.32 0.00 0.27 -3.29 121.76 118.99 2bkd s ALA 31 Ca -0.14 -0.13 0.09 0.00 0.00 0.00 0.00 51.96 51.77 2bkd s ALA 31 Cb -0.09 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 2bkd s ALA 31 CO -0.01 0.06 -0.12 -0.06 0.00 0.00 0.00 175.76 175.63 2bkd s PHE 32 N 0.08 2.61 -0.02 0.00 0.08 -1.26 -0.68 117.98 118.79 2bkd s PHE 32 Ca -0.00 -0.23 -0.31 0.00 0.12 0.00 0.00 56.93 56.51 2bkd s PHE 32 Cb -0.04 -1.31 -0.10 0.00 -0.57 0.00 0.00 43.02 41.01 2bkd s PHE 32 CO -0.00 0.48 1.97 0.39 -0.10 0.00 0.00 175.22 177.96 2bkd n GLU 33 N 0.27 2.59 -2.53 0.44 -0.58 -1.26 -4.74 120.64 114.82 2bkd n GLU 33 Ca -0.12 0.94 -0.43 0.00 -0.42 0.00 0.00 57.16 57.13 2bkd n GLU 33 Cb 0.55 -2.91 0.00 0.00 -0.57 0.00 0.00 31.44 28.51 2bkd n GLU 33 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2bkd n ASN 34 N 7.58 5.00 -0.05 1.62 2.85 -1.26 -4.45 115.26 126.56 2bkd n ASN 34 Ca 0.22 -3.02 0.05 0.00 -0.11 0.00 0.00 54.58 51.72 2bkd n ASN 34 Cb 0.37 -1.56 0.07 0.00 1.24 0.00 0.00 39.78 39.91 2bkd n ASN 34 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 2bkd n ASN 35 N 5.21 2.10 0.09 1.20 0.23 -1.26 -4.90 115.26 117.93 2bkd n ASN 35 Ca 0.41 -2.54 0.00 0.00 -0.53 0.00 0.00 54.58 51.92 2bkd n ASN 35 Cb 0.40 -0.22 0.00 0.00 -2.08 0.00 0.00 39.78 37.88 2bkd n ASN 35 CO 0.00 0.00 0.00 -2.67 -0.93 0.00 0.00 177.26 173.66 2bkd n TRP 36 N -0.96 -2.82 -4.61 -2.53 4.27 -1.26 -5.17 117.44 104.36 2bkd n TRP 36 Ca 0.08 0.54 -0.28 0.00 -3.89 0.00 0.00 57.50 53.96 2bkd n TRP 36 Cb 0.46 1.60 -0.11 0.00 -1.36 0.00 0.00 31.31 31.90 2bkd n TRP 36 CO 0.00 0.00 0.00 1.14 -2.29 0.00 0.00 177.69 176.54 2bkd s GLN 37 N -2.00 1.93 0.91 -2.67 1.03 -1.26 -5.15 119.66 112.45 2bkd s GLN 37 Ca 0.00 -2.08 -0.12 0.00 0.04 0.00 0.00 55.36 53.19 2bkd s GLN 37 Cb 0.00 -1.62 0.19 0.00 0.03 0.00 0.00 33.01 31.61 2bkd s GLN 37 CO 0.00 -0.03 1.25 -1.25 -2.54 0.00 0.00 175.29 172.72 2bkd s PRO 38 N -3.71 0.83 0.26 9.60 0.04 -1.26 -4.97 135.00 135.79 2bkd s PRO 38 Ca 0.35 -0.62 -0.30 0.00 0.04 0.00 0.00 61.00 60.46 2bkd s PRO 38 Cb 0.09 -1.96 -0.11 0.00 0.04 0.00 0.00 34.50 32.56 2bkd s PRO 38 CO 0.18 -2.22 1.51 -0.51 0.04 0.00 0.00 177.00 176.00 2bkd s ASP 39 N -4.87 6.54 0.16 6.66 1.11 -1.26 -4.98 116.67 120.03 2bkd s ASP 39 Ca 0.73 2.77 0.09 0.00 0.18 0.00 0.00 52.55 56.32 2bkd s ASP 39 Cb -0.04 -2.62 -0.04 0.00 1.07 0.00 0.00 42.92 41.29 2bkd s ASP 39 CO 0.51 -0.80 -0.15 -0.60 1.18 0.00 0.00 175.17 175.31 2bkd s ARG 40 N -0.25 1.86 -0.11 8.23 3.52 -1.21 -5.05 118.95 125.93 2bkd s ARG 40 Ca 0.62 -1.29 0.03 0.00 -0.13 0.00 0.00 55.73 54.96 2bkd s ARG 40 Cb -0.44 -2.08 0.01 0.00 -1.56 0.00 0.00 34.95 30.87 2bkd s ARG 40 CO 0.44 0.44 -0.20 -1.14 -0.81 0.00 0.00 175.30 174.03 2bkd s GLN 41 N -2.55 2.71 0.05 5.12 0.74 -1.26 -1.78 119.66 122.69 2bkd s GLN 41 Ca 0.22 -0.75 0.08 0.00 0.05 0.00 0.00 55.36 54.96 2bkd s GLN 41 Cb -0.09 -2.16 -0.03 0.00 1.10 0.00 0.00 33.01 31.83 2bkd s GLN 41 CO 0.12 0.04 -0.23 0.96 -0.55 0.00 0.00 175.29 175.63 2bkd s ILE 42 N 0.70 1.86 0.93 -2.34 -4.36 -0.54 -4.99 121.20 112.47 2bkd s ILE 42 Ca -0.11 -1.33 -0.13 0.00 -0.26 0.00 0.00 60.65 58.82 2bkd s ILE 42 Cb -0.16 -1.62 0.15 0.00 1.25 0.00 0.00 42.46 42.08 2bkd s ILE 42 CO 0.02 0.23 1.14 -2.16 0.24 0.00 0.00 174.94 174.40 2bkd s PRO 43 N -1.32 0.96 0.00 0.37 0.04 -1.26 -0.50 135.00 133.28 2bkd s PRO 43 Ca 0.09 0.28 -0.01 0.00 0.04 0.00 0.00 61.00 61.40 2bkd s PRO 43 Cb -0.09 -1.82 -0.02 0.00 0.04 0.00 0.00 34.50 32.60 2bkd s PRO 43 CO 0.02 -2.32 0.68 1.19 0.04 0.00 0.00 177.00 176.61 2bkd n PHE 44 N -3.85 0.00 0.00 0.56 3.72 -1.26 -3.59 117.46 113.05 2bkd n PHE 44 Ca 0.07 -0.16 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 2bkd n PHE 44 Cb 0.59 -0.46 0.00 0.00 -0.94 0.00 0.00 39.48 38.67 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 2.62 0.00 -4.90 4.37 8.00 -1.26 -4.60 116.55 120.78 2bkd n ASP 46 Ca 0.04 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.22 2bkd n ASP 46 Cb 0.10 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.15 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 5.32 -0.10 2.53 1.01 -1.24 -0.60 120.40 127.33 2bkd s VAL 47 Ca 0.00 -0.37 0.02 0.00 0.00 0.00 0.00 61.98 61.63 2bkd s VAL 47 Cb 0.00 -3.57 0.01 0.00 0.00 0.00 0.00 36.38 32.83 2bkd s VAL 47 CO 0.00 0.19 -0.15 -0.60 0.00 0.00 0.00 175.10 174.54 2bkd s ARG 48 N -2.35 2.13 -0.38 2.72 3.52 -0.11 -4.41 118.95 120.07 2bkd s ARG 48 Ca 0.33 -0.53 -0.25 0.00 -0.13 0.00 0.00 55.73 55.15 2bkd s ARG 48 Cb -0.13 -1.82 0.02 0.00 -1.56 0.00 0.00 34.95 31.46 2bkd s ARG 48 CO 0.25 -0.06 0.88 -0.06 -0.81 0.00 0.00 175.30 175.50 2bkd s PHE 49 N 0.97 3.06 0.76 5.12 0.08 0.21 -1.91 117.98 126.27 2bkd s PHE 49 Ca -0.07 0.64 -0.12 0.00 0.12 0.00 0.00 56.93 57.50 2bkd s PHE 49 Cb -0.15 -3.62 0.05 0.00 -0.57 0.00 0.00 43.02 38.72 2bkd s PHE 49 CO -0.01 -0.84 1.11 -1.25 -0.10 0.00 0.00 175.22 174.13 2bkd s PRO 50 N 3.40 2.40 0.90 0.24 0.04 -1.26 -4.88 135.00 135.84 2bkd s PRO 50 Ca 0.36 0.46 -0.12 0.00 0.04 0.00 0.00 61.00 61.74 2bkd s PRO 50 Cb -0.12 -1.97 0.13 0.00 0.04 0.00 0.00 34.50 32.58 2bkd s PRO 50 CO 0.19 -1.36 1.09 -1.25 0.04 0.00 0.00 177.00 175.72 2bkd s PRO 51 N -5.32 1.19 0.64 0.56 0.04 -1.26 -5.01 135.00 125.84 2bkd s PRO 51 Ca 0.60 0.76 -0.14 0.00 0.04 0.00 0.00 61.00 62.26 2bkd s PRO 51 Cb -0.12 -1.81 -0.02 0.00 0.04 0.00 0.00 34.50 32.59 2bkd s PRO 51 CO 0.52 -2.27 1.06 -1.25 0.04 0.00 0.00 177.00 175.10 2bkd s PRO 52 N -4.96 3.17 -0.06 0.56 0.04 -1.26 -5.03 135.00 127.46 2bkd s PRO 52 Ca 0.64 1.09 -0.14 0.00 0.04 0.00 0.00 61.00 62.63 2bkd s PRO 52 Cb -0.18 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 32.30 2bkd s PRO 52 CO 0.57 -0.93 0.36 0.08 0.04 0.00 0.00 177.00 177.12 2bkd s VAL 53 N -2.71 5.17 0.00 -0.36 1.01 -1.26 -4.70 120.40 117.54 2bkd s VAL 53 Ca 0.61 0.72 0.00 0.00 0.00 0.00 0.00 61.98 63.31 2bkd s VAL 53 Cb -0.15 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.56 2bkd s VAL 53 CO 0.44 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.67 2bkd n GLY 54 N 2.35 0.47 1.08 4.51 0.00 -1.26 -5.13 105.19 107.20 2bkd n GLY 54 Ca -0.13 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2bkd n GLY 54 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2bkd n TYR 55 N 0.00 -2.96 0.00 1.61 4.02 -1.26 -3.69 117.16 114.88 2bkd n TYR 55 Ca 0.00 1.59 0.00 0.00 -0.01 0.00 0.00 57.90 59.48 2bkd n TYR 55 Cb 0.00 -2.66 0.00 0.00 -0.02 0.00 0.00 39.34 36.66 2bkd n TYR 55 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2bkd n ASN 56 N -1.62 0.00 -1.18 7.72 2.85 -1.26 -4.74 115.26 117.03 2bkd n ASN 56 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 2bkd n ASN 56 Cb 0.17 0.46 0.00 0.00 1.24 0.00 0.00 39.78 41.65 2bkd n ASN 56 CO 0.00 0.00 0.00 1.17 -2.11 0.00 0.00 177.26 176.32 2bkd n LYS 57 N -2.46 3.52 0.00 1.20 4.81 -1.26 -4.74 118.16 119.23 2bkd n LYS 57 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2bkd n LYS 57 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2bkd n LYS 57 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2bkd n ASP 58 N 0.00 0.00 -4.80 3.14 2.03 -1.26 -4.90 116.55 110.76 2bkd n ASP 58 Ca 0.00 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 54.95 2bkd n ASP 58 Cb 0.00 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.34 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 0.00 4.42 -0.80 5.18 1.10 -1.26 -4.99 121.20 124.85 2bkd s ILE 59 Ca 0.00 1.50 -0.01 0.00 -0.51 0.00 0.00 60.65 61.62 2bkd s ILE 59 Cb 0.00 -3.90 0.36 0.00 0.15 0.00 0.00 42.46 39.07 2bkd s ILE 59 CO 0.00 0.15 1.95 0.59 -2.11 0.00 0.00 174.94 175.52 2bkd n ASN 60 N 0.59 7.30 0.00 4.50 5.03 -1.26 -5.00 115.26 126.42 2bkd n ASN 60 Ca -0.00 -3.83 0.00 0.00 0.87 0.00 0.00 54.58 51.62 2bkd n ASN 60 Cb 0.51 -1.01 0.00 0.00 -1.02 0.00 0.00 39.78 38.26 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 -0.56 0.00 -2.83 3.52 1.02 -1.26 -4.39 120.64 116.14 2bkd n GLU 61 Ca 0.53 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 57.24 2bkd n GLU 61 Cb 0.30 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.69 2bkd n GLU 61 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2bkd s SER 62 N -4.00 6.56 0.10 1.62 0.15 -1.26 -4.87 113.70 111.99 2bkd s SER 62 Ca 0.00 -1.81 -0.02 0.00 0.70 0.00 0.00 55.95 54.83 2bkd s SER 62 Cb 0.00 -2.44 0.01 0.00 -1.71 0.00 0.00 66.02 61.87 2bkd s SER 62 CO 0.00 -1.21 0.16 -0.67 1.20 0.00 0.00 173.24 172.72 2bkd n ASP 63 N 7.24 -0.45 -4.86 5.45 2.03 -1.26 -4.98 116.55 119.72 2bkd n ASP 63 Ca 0.24 -1.49 -0.32 0.00 0.52 0.00 0.00 54.79 53.74 2bkd n ASP 63 Cb 0.49 0.80 -0.06 0.00 -0.72 0.00 0.00 41.12 41.63 2bkd n ASP 63 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 2bkd s GLU 64 N -2.15 3.93 0.19 -0.67 -1.05 -1.26 -0.96 118.70 116.73 2bkd s GLU 64 Ca 0.07 0.53 -0.02 0.00 -0.15 0.00 0.00 54.97 55.40 2bkd s GLU 64 Cb -0.01 -2.50 -0.04 0.00 -0.44 0.00 0.00 34.13 31.15 2bkd s GLU 64 CO 0.05 0.20 0.16 0.14 0.95 0.00 0.00 175.26 176.75 2bkd s VAL 65 N -1.95 0.01 -0.19 1.83 -7.23 0.28 -4.70 120.40 108.46 2bkd s VAL 65 Ca 0.52 -1.92 -0.04 0.00 -1.81 0.00 0.00 61.98 58.73 2bkd s VAL 65 Cb -0.10 -2.40 -0.02 0.00 0.56 0.00 0.00 36.38 34.41 2bkd s VAL 65 CO 0.19 -0.06 -0.02 -1.61 -0.31 0.00 0.00 175.10 173.28 2bkd s GLU 66 N -4.13 3.57 -0.18 4.82 2.02 0.46 -1.36 118.70 123.91 2bkd s GLU 66 Ca 0.35 -0.55 -0.08 0.00 0.02 0.00 0.00 54.97 54.72 2bkd s GLU 66 Cb 0.06 -3.00 -0.04 0.00 0.10 0.00 0.00 34.13 31.25 2bkd s GLU 66 CO 0.10 0.04 0.07 0.14 0.02 0.00 0.00 175.26 175.63 2bkd s VAL 67 N 0.90 4.82 -0.05 2.63 -7.23 0.15 -1.09 120.40 120.53 2bkd s VAL 67 Ca 0.00 -0.02 0.06 0.00 -1.81 0.00 0.00 61.98 60.21 2bkd s VAL 67 Cb -0.14 -3.17 -0.02 0.00 0.56 0.00 0.00 36.38 33.61 2bkd s VAL 67 CO 0.02 0.46 -0.22 -0.47 -0.31 0.00 0.00 175.10 174.58 2bkd s TYR 68 N 0.34 2.49 0.23 2.82 5.04 -1.25 -1.41 117.35 125.61 2bkd s TYR 68 Ca 0.03 -0.49 0.08 0.00 -2.44 0.00 0.00 57.07 54.26 2bkd s TYR 68 Cb -0.12 -1.59 -0.05 0.00 0.35 0.00 0.00 41.96 40.55 2bkd s TYR 68 CO -0.00 -0.06 -0.13 0.45 -1.34 0.00 0.00 175.55 174.47 2bkd s SER 69 N -0.41 2.75 0.47 4.32 0.15 -1.26 -5.00 113.70 114.72 2bkd s SER 69 Ca 0.04 -1.06 -0.22 0.00 0.70 0.00 0.00 55.95 55.41 2bkd s SER 69 Cb -0.12 -0.16 -0.07 0.00 -1.71 0.00 0.00 66.02 63.96 2bkd s SER 69 CO 0.01 -0.18 1.16 -0.13 1.20 0.00 0.00 173.24 175.31 2bkd s ARG 70 N -3.64 3.70 0.41 5.44 1.81 -1.26 -4.94 118.95 120.47 2bkd s ARG 70 Ca 0.25 1.76 0.11 0.00 -1.72 0.00 0.00 55.73 56.12 2bkd s ARG 70 Cb -0.00 -2.36 0.93 0.00 -0.45 0.00 0.00 34.95 33.07 2bkd s ARG 70 CO 0.09 -0.59 1.99 0.00 -0.68 0.00 0.00 175.30 176.11 2bkd h ALA 71 N 1.94 1.88 -3.00 2.13 0.00 -1.99 -3.40 119.26 116.82 2bkd h ALA 71 Ca -0.49 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2bkd h ALA 71 Cb 1.25 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2bkd h ALA 71 CO 0.60 0.02 0.00 0.09 0.00 0.00 0.00 179.25 179.96 2bkd n ASN 72 N -4.48 0.27 0.00 0.00 3.02 -1.26 -4.84 115.26 107.98 2bkd n ASN 72 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 2bkd n ASN 72 Cb 0.27 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.44 2bkd n ASN 72 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2bkd n GLU 73 N 0.00 0.00 -3.19 3.52 -0.58 -1.26 -4.70 120.64 114.44 2bkd n GLU 73 Ca 0.00 0.00 -0.17 0.00 -0.42 0.00 0.00 57.16 56.57 2bkd n GLU 73 Cb 0.00 0.00 0.05 0.00 -0.57 0.00 0.00 31.44 30.92 2bkd n GLU 73 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2bkd n LYS 74 N 0.00 -5.22 0.00 3.49 3.00 -1.26 -4.99 118.16 113.18 2bkd n LYS 74 Ca 0.00 0.59 0.00 0.00 -0.00 0.00 0.00 58.31 58.90 2bkd n LYS 74 Cb 0.00 -4.87 0.00 0.00 0.00 0.00 0.00 35.03 30.16 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 -3.54 0.00 -1.89 1.64 1.02 -1.26 -4.86 120.64 111.75 2bkd n GLU 75 Ca -0.01 0.49 -0.29 0.00 -0.02 0.00 0.00 57.16 57.33 2bkd n GLU 75 Cb 0.55 -1.33 0.14 0.00 -0.02 0.00 0.00 31.44 30.78 2bkd n GLU 75 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2bkd s PRO 76 N -2.31 1.30 -0.01 3.49 0.04 -1.26 -5.05 135.00 131.20 2bkd s PRO 76 Ca 0.00 -0.12 -0.01 0.00 0.04 0.00 0.00 61.00 60.92 2bkd s PRO 76 Cb 0.00 -1.89 -0.00 0.00 0.04 0.00 0.00 34.50 32.64 2bkd s PRO 76 CO 0.00 -2.01 -0.01 0.00 0.04 0.00 0.00 177.00 175.02 2bkd n TRP 79 N -0.13 0.00 0.00 0.00 2.14 -1.26 -5.02 117.44 113.17 2bkd n TRP 79 Ca -0.09 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.48 2bkd n TRP 79 Cb 0.55 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 31.05 2bkd n TRP 79 CO 0.00 0.00 0.00 0.91 2.07 0.00 0.00 177.69 180.67 2bkd n TRP 80 N 0.00 0.00 -2.48 -2.67 8.01 -0.50 -4.77 117.44 115.03 2bkd n TRP 80 Ca 0.00 0.00 -0.42 0.00 -1.31 0.00 0.00 57.50 55.77 2bkd n TRP 80 Cb 0.00 0.00 -0.03 0.00 -2.01 0.00 0.00 31.31 29.27 2bkd n TRP 80 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.69 176.17 2bkd s LEU 81 N 0.00 4.32 0.06 -0.99 2.01 -1.26 -0.67 118.68 122.14 2bkd s LEU 81 Ca 0.00 1.85 -0.08 0.00 0.01 0.00 0.00 54.13 55.91 2bkd s LEU 81 Cb 0.00 -3.57 -0.00 0.00 0.01 0.00 0.00 46.19 42.63 2bkd s LEU 81 CO 0.00 -0.51 0.16 0.00 1.01 0.00 0.00 176.35 177.02 2bkd s ALA 82 N 1.70 -0.19 -0.08 4.21 0.00 -0.46 -0.88 121.76 126.05 2bkd s ALA 82 Ca 0.56 -0.54 0.04 0.00 0.00 0.00 0.00 51.96 52.02 2bkd s ALA 82 Cb -0.26 0.37 0.00 0.00 0.00 0.00 0.00 23.12 23.23 2bkd s ALA 82 CO 0.25 -0.42 -0.21 0.15 0.00 0.00 0.00 175.76 175.53 2bkd s LYS 83 N -3.26 2.55 0.12 0.00 3.01 0.24 -0.56 119.74 121.84 2bkd s LYS 83 Ca 0.00 -0.75 -0.24 0.00 -1.01 0.00 0.00 55.97 53.97 2bkd s LYS 83 Cb 0.02 -2.00 -0.07 0.00 -1.01 0.00 0.00 37.83 34.77 2bkd s LYS 83 CO -0.08 0.18 0.75 0.08 0.51 0.00 0.00 175.35 176.78 2bkd s VAL 84 N 0.32 4.52 -0.23 3.17 1.01 -0.14 -0.43 120.40 128.62 2bkd s VAL 84 Ca -0.15 1.62 -0.04 0.00 0.00 0.00 0.00 61.98 63.41 2bkd s VAL 84 Cb -0.16 -4.10 -0.13 0.00 0.00 0.00 0.00 36.38 31.99 2bkd s VAL 84 CO 0.06 0.48 -0.25 0.54 0.00 0.00 0.00 175.10 175.94 2bkd n ARG 85 N 1.96 0.53 -3.91 2.72 1.74 -0.25 -4.18 116.66 115.27 2bkd n ARG 85 Ca -0.05 0.17 -0.08 0.00 -0.77 0.00 0.00 57.85 57.12 2bkd n ARG 85 Cb 0.49 -1.40 -0.03 0.00 -1.02 0.00 0.00 32.46 30.50 2bkd n ARG 85 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2bkd s MET 86 N -2.44 1.73 -0.14 5.56 0.23 -1.23 -4.93 119.30 118.07 2bkd s MET 86 Ca -0.32 -1.13 0.01 0.00 -1.03 0.00 0.00 55.69 53.22 2bkd s MET 86 Cb 0.10 0.55 -0.00 0.00 -1.53 0.00 0.00 34.83 33.95 2bkd s MET 86 CO 0.47 -0.77 -0.17 0.42 -2.03 0.00 0.00 175.02 172.95 2bkd s ILE 87 N -3.84 2.59 -0.55 3.16 1.01 -1.26 -1.97 121.20 120.34 2bkd s ILE 87 Ca 0.16 -0.81 0.03 0.00 0.00 0.00 0.00 60.65 60.03 2bkd s ILE 87 Cb -0.04 -2.07 0.14 0.00 0.01 0.00 0.00 42.46 40.50 2bkd s ILE 87 CO 0.08 0.53 0.31 -0.54 0.00 0.00 0.00 174.94 175.32 2bkd s LYS 88 N 0.63 2.11 2.02 2.79 1.02 0.11 -4.99 119.74 123.43 2bkd s LYS 88 Ca -0.09 -2.66 0.00 0.00 0.02 0.00 0.00 55.97 53.24 2bkd s LYS 88 Cb -0.16 -3.40 0.00 0.00 -0.52 0.00 0.00 37.83 33.75 2bkd s LYS 88 CO 0.03 -1.13 0.00 0.41 -0.92 0.00 0.00 175.35 173.74 2bkd n GLY 89 N 3.10 0.76 0.00 -3.33 0.00 -1.26 -1.44 105.19 103.02 2bkd n GLY 89 Ca 0.06 0.50 0.08 0.00 0.00 0.00 0.00 46.02 46.66 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 0.00 1.61 -4.85 1.61 1.02 -1.26 -4.98 120.64 113.78 2bkd n GLU 90 Ca 0.00 -0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.81 2bkd n GLU 90 Cb 0.00 -1.27 -0.14 0.00 -0.02 0.00 0.00 31.44 30.01 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 -2.55 2.75 -0.15 -0.32 0.08 -0.52 -4.48 117.98 112.80 2bkd s PHE 91 Ca 0.06 -0.57 -0.03 0.00 0.12 0.00 0.00 56.93 56.51 2bkd s PHE 91 Cb 0.12 -1.78 -0.03 0.00 -0.57 0.00 0.00 43.02 40.77 2bkd s PHE 91 CO 0.67 -0.14 -0.05 0.71 -0.10 0.00 0.00 175.22 176.31 2bkd s TYR 92 N 0.09 3.00 -0.17 0.36 1.51 -0.29 0.07 117.35 121.92 2bkd s TYR 92 Ca -0.06 -0.31 -0.06 0.00 -1.01 0.00 0.00 57.07 55.62 2bkd s TYR 92 Cb -0.15 -1.93 -0.04 0.00 -0.11 0.00 0.00 41.96 39.74 2bkd s TYR 92 CO 0.05 -0.03 0.03 0.08 -1.11 0.00 0.00 175.55 174.57 2bkd s VAL 93 N 0.28 4.53 0.03 0.71 1.01 -0.83 -1.38 120.40 124.74 2bkd s VAL 93 Ca -0.04 -0.13 0.05 0.00 0.00 0.00 0.00 61.98 61.87 2bkd s VAL 93 Cb -0.14 -3.03 -0.02 0.00 0.00 0.00 0.00 36.38 33.19 2bkd s VAL 93 CO 0.03 0.47 -0.16 -0.63 0.00 0.00 0.00 175.10 174.82 2bkd s ILE 94 N 0.36 1.25 -0.17 2.22 1.09 -0.54 -1.09 121.20 124.33 2bkd s ILE 94 Ca 0.01 -0.95 -0.07 0.00 -1.10 0.00 0.00 60.65 58.54 2bkd s ILE 94 Cb -0.13 -1.10 -0.04 0.00 -1.06 0.00 0.00 42.46 40.13 2bkd s ILE 94 CO 0.01 0.14 0.07 -1.61 -0.10 0.00 0.00 174.94 173.45 2bkd s GLU 95 N -0.94 3.85 -0.02 2.79 0.41 0.43 -3.91 118.70 121.31 2bkd s GLU 95 Ca 0.04 -0.31 -0.03 0.00 -0.41 0.00 0.00 54.97 54.26 2bkd s GLU 95 Cb -0.07 -3.20 -0.04 0.00 -1.78 0.00 0.00 34.13 29.04 2bkd s GLU 95 CO 0.01 0.38 0.18 0.71 -0.49 0.00 0.00 175.26 176.05 2bkd s TYR 96 N 0.09 3.56 -0.41 1.61 1.51 -1.26 -0.59 117.35 121.85 2bkd s TYR 96 Ca 0.06 0.38 -0.24 0.00 -1.01 0.00 0.00 57.07 56.27 2bkd s TYR 96 Cb -0.12 -1.85 0.02 0.00 -0.11 0.00 0.00 41.96 39.90 2bkd s TYR 96 CO 0.00 0.65 0.81 0.00 -1.11 0.00 0.00 175.55 175.91 2bkd s ALA 97 N -1.30 3.35 0.12 3.71 0.00 -0.06 -4.79 121.76 122.80 2bkd s ALA 97 Ca 0.26 -0.80 -0.24 0.00 0.00 0.00 0.00 51.96 51.18 2bkd s ALA 97 Cb -0.13 -3.45 0.08 0.00 0.00 0.00 0.00 23.12 19.63 2bkd s ALA 97 CO 0.17 -1.74 1.10 0.00 0.00 0.00 0.00 175.76 175.30 2bkd s ALA 98 N 3.28 -1.84 0.00 0.00 0.00 -1.26 -4.77 121.76 117.18 2bkd s ALA 98 Ca 0.32 -0.14 -0.11 0.00 0.00 0.00 0.00 51.96 52.03 2bkd s ALA 98 Cb -0.12 0.75 -0.32 0.00 0.00 0.00 0.00 23.12 23.43 2bkd s ALA 98 CO 0.21 -1.08 0.87 0.00 0.00 0.00 0.00 175.76 175.75 2bkd s ASP 100 N -7.36 6.16 0.51 0.00 1.01 -1.26 -5.01 116.67 110.72 2bkd s ASP 100 Ca -0.11 1.97 -0.18 0.00 0.71 0.00 0.00 52.55 54.94 2bkd s ASP 100 Cb 0.05 -2.56 -0.08 0.00 1.01 0.00 0.00 42.92 41.34 2bkd s ASP 100 CO 0.89 -0.91 1.00 0.00 0.21 0.00 0.00 175.17 176.36 2bkd s ALA 101 N -1.98 2.97 -0.24 5.23 0.00 -1.26 -4.99 121.76 121.49 2bkd s ALA 101 Ca 0.68 0.34 -0.03 0.00 0.00 0.00 0.00 51.96 52.95 2bkd s ALA 101 Cb -0.18 -3.17 -0.18 0.00 0.00 0.00 0.00 23.12 19.60 2bkd s ALA 101 CO 0.23 -0.27 -0.15 2.41 0.00 0.00 0.00 175.76 177.97 2bkd n THR 102 N -1.36 1.54 0.00 0.00 -1.04 -1.26 -5.02 114.28 107.14 2bkd n THR 102 Ca 0.07 -0.53 0.00 0.00 -2.04 0.00 0.00 64.05 61.55 2bkd n THR 102 Cb 0.54 -1.57 0.00 0.00 -1.82 0.00 0.00 70.33 67.48 2bkd n THR 102 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 2bkd n TYR 103 N -3.51 0.00 -2.85 -1.42 4.01 -1.26 -3.73 117.16 108.39 2bkd n TYR 103 Ca -0.45 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.17 2bkd n TYR 103 Cb 0.97 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 40.04 2bkd n TYR 103 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2bkd n ASN 104 N 3.94 -1.94 -4.61 7.72 5.15 -1.26 -5.05 115.26 119.21 2bkd n ASN 104 Ca 0.00 -3.32 -0.41 0.00 -0.60 0.00 0.00 54.58 50.25 2bkd n ASN 104 Cb 0.00 1.28 -0.06 0.00 -0.53 0.00 0.00 39.78 40.47 2bkd n ASN 104 CO 0.00 0.00 0.00 -0.70 1.40 0.00 0.00 177.26 177.96 2bkd s GLU 105 N -0.00 3.94 -0.19 1.20 2.56 -1.24 -4.98 118.70 119.98 2bkd s GLU 105 Ca 0.30 0.42 -0.08 0.00 0.00 0.00 0.00 54.97 55.62 2bkd s GLU 105 Cb 0.25 -3.72 -0.04 0.00 2.00 0.00 0.00 34.13 32.62 2bkd s GLU 105 CO -0.15 -0.60 0.08 0.42 -0.56 0.00 0.00 175.26 174.45 2bkd s ILE 106 N 2.73 4.94 0.20 -3.70 1.09 -1.26 -1.46 121.20 123.73 2bkd s ILE 106 Ca 0.28 0.02 -0.06 0.00 -1.10 0.00 0.00 60.65 59.79 2bkd s ILE 106 Cb -0.15 -3.23 -0.02 0.00 -1.06 0.00 0.00 42.46 38.00 2bkd s ILE 106 CO 0.12 0.46 0.25 0.54 -0.10 0.00 0.00 174.94 176.20 2bkd s VAL 107 N 0.36 0.02 0.35 2.92 0.11 -0.48 -4.99 120.40 118.69 2bkd s VAL 107 Ca 0.04 -1.72 0.07 0.00 -2.93 0.00 0.00 61.98 57.44 2bkd s VAL 107 Cb -0.12 -2.27 -0.01 0.00 -1.53 0.00 0.00 36.38 32.45 2bkd s VAL 107 CO -0.00 -0.09 0.43 0.42 -3.33 0.00 0.00 175.10 172.53 2bkd s THR 108 N -4.08 3.71 0.33 5.04 -4.23 -1.26 -1.14 115.64 114.01 2bkd s THR 108 Ca 0.29 -1.11 0.05 0.00 -1.18 0.00 0.00 61.69 59.74 2bkd s THR 108 Cb 0.04 -3.27 0.30 0.00 1.34 0.00 0.00 72.50 70.91 2bkd s THR 108 CO 0.08 -0.13 1.87 -0.29 -0.54 0.00 0.00 174.62 175.61 2bkd h ILE 109 N 0.96 0.91 -0.12 2.99 6.09 -1.91 -2.76 117.51 123.66 2bkd h ILE 109 Ca -0.44 -0.29 0.04 0.00 -1.37 0.00 0.00 64.86 62.79 2bkd h ILE 109 Cb 1.26 -0.00 -0.00 0.00 0.47 0.00 0.00 36.82 38.54 2bkd h ILE 109 CO 0.53 0.15 0.10 -0.33 -3.07 0.00 0.00 178.15 175.53 2bkd h GLU 110 N 0.84 0.00 -0.02 2.19 5.08 -1.85 -1.90 114.58 118.92 2bkd h GLU 110 Ca 0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.80 2bkd h GLU 110 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 2bkd h GLU 110 CO -0.21 0.00 -0.40 -2.13 -1.00 0.00 0.00 179.01 175.27 2bkd n ARG 111 N -4.29 1.34 -3.83 2.33 0.63 -1.04 -4.48 116.66 107.32 2bkd n ARG 111 Ca -0.00 -1.10 -0.36 0.00 -0.92 0.00 0.00 57.85 55.47 2bkd n ARG 111 Cb 0.22 -1.48 -0.10 0.00 0.45 0.00 0.00 32.46 31.54 2bkd n ARG 111 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2bkd s LEU 112 N -2.41 3.82 0.18 6.15 1.43 -0.71 -3.90 118.68 123.23 2bkd s LEU 112 Ca 0.20 0.02 0.08 0.00 -1.03 0.00 0.00 54.13 53.39 2bkd s LEU 112 Cb 0.18 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.36 2bkd s LEU 112 CO 0.53 0.08 -0.01 -0.13 0.23 0.00 0.00 176.35 177.05 2bkd s ARG 113 N 0.94 2.35 0.20 1.70 0.52 -0.25 -4.94 118.95 119.48 2bkd s ARG 113 Ca 0.05 -1.14 0.05 0.00 -0.52 0.00 0.00 55.73 54.17 2bkd s ARG 113 Cb -0.14 -2.32 -0.03 0.00 0.52 0.00 0.00 34.95 32.98 2bkd s ARG 113 CO 0.03 0.45 0.25 0.45 0.02 0.00 0.00 175.30 176.49 2bkd s SER 114 N -2.95 5.92 -0.88 0.23 0.15 -1.26 -0.40 113.70 114.51 2bkd s SER 114 Ca 0.27 -0.04 -0.21 0.00 0.70 0.00 0.00 55.95 56.67 2bkd s SER 114 Cb -0.09 -1.65 0.10 0.00 -1.71 0.00 0.00 66.02 62.67 2bkd s SER 114 CO 0.18 0.00 1.16 0.54 1.20 0.00 0.00 173.24 176.32 2bkd s VAL 115 N -1.91 4.43 0.11 4.45 0.11 -1.26 -4.84 120.40 121.49 2bkd s VAL 115 Ca 0.33 -1.05 -0.03 0.00 -2.93 0.00 0.00 61.98 58.30 2bkd s VAL 115 Cb -0.09 -4.82 -0.05 0.00 -1.53 0.00 0.00 36.38 29.89 2bkd s VAL 115 CO 0.26 -1.60 0.32 0.20 -3.33 0.00 0.00 175.10 170.95 2bkd s ASN 116 N 3.92 6.44 -0.12 3.54 0.02 -1.26 -4.99 114.94 122.50 2bkd s ASN 116 Ca 0.33 0.48 0.00 0.00 -1.02 0.00 0.00 52.86 52.65 2bkd s ASN 116 Cb -0.07 -2.04 0.11 0.00 0.02 0.00 0.00 41.25 39.27 2bkd s ASN 116 CO -0.04 0.09 1.70 -0.81 0.02 0.00 0.00 177.10 178.06 2bkd n PRO 117 N 0.15 1.31 -1.98 -0.60 -0.04 -1.26 -4.96 135.00 127.62 2bkd n PRO 117 Ca -0.03 -0.64 -0.33 0.00 -0.04 0.00 0.00 63.50 62.46 2bkd n PRO 117 Cb 0.51 -1.25 0.02 0.00 -0.04 0.00 0.00 33.50 32.74 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 0.97 5.63 0.68 3.54 4.22 -1.26 -5.02 114.94 123.71 2bkd s ASN 118 Ca 0.12 1.86 -0.14 0.00 -2.14 0.00 0.00 52.86 52.56 2bkd s ASN 118 Cb 0.10 -2.54 0.01 0.00 1.28 0.00 0.00 41.25 40.10 2bkd s ASN 118 CO 0.01 -1.27 1.10 -0.54 -2.04 0.00 0.00 177.10 174.36 2bkd s LYS 119 N -4.09 2.73 0.00 3.55 1.02 -1.26 -5.03 119.74 116.66 2bkd s LYS 119 Ca 0.64 1.31 0.00 0.00 0.02 0.00 0.00 55.97 57.94 2bkd s LYS 119 Cb -0.17 -1.95 0.00 0.00 -0.52 0.00 0.00 37.83 35.19 2bkd s LYS 119 CO 0.38 -1.30 0.12 -0.35 -0.92 0.00 0.00 175.35 173.29 2bkd n PRO 120 N -2.66 0.00 -3.69 -1.68 -0.04 -1.26 -4.46 135.00 121.22 2bkd n PRO 120 Ca 0.10 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.42 2bkd n PRO 120 Cb 0.52 -0.61 -0.09 0.00 -0.04 0.00 0.00 33.50 33.29 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 -3.48 -1.32 -0.08 0.55 0.00 -1.26 -0.62 121.76 115.55 2bkd s ALA 121 Ca 0.00 1.49 -0.31 0.00 0.00 0.00 0.00 51.96 53.14 2bkd s ALA 121 Cb 0.00 -0.86 0.12 0.00 0.00 0.00 0.00 23.12 22.39 2bkd s ALA 121 CO 0.00 -0.25 1.38 -0.08 0.00 0.00 0.00 175.76 176.81 2bkd s THR 122 N 0.25 0.00 0.57 0.00 -1.32 -1.26 -5.04 115.64 108.84 2bkd s THR 122 Ca -0.00 -0.06 0.25 0.00 -1.21 0.00 0.00 61.69 60.67 2bkd s THR 122 Cb -0.04 -2.40 0.34 0.00 -1.51 0.00 0.00 72.50 68.89 2bkd s THR 122 CO 0.01 0.00 2.17 0.11 -2.21 0.00 0.00 174.62 174.69 2bkd h LYS 123 N 2.00 0.00 0.00 7.08 1.57 -2.01 -1.23 116.57 123.97 2bkd h LYS 123 Ca -0.28 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.50 2bkd h LYS 123 Cb 1.19 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.50 2bkd h LYS 123 CO 0.30 0.00 -0.02 0.22 -0.57 0.00 0.00 179.45 179.37 2bkd h ASP 124 N 0.00 0.00 1.55 0.86 3.58 -2.03 -1.98 116.42 118.40 2bkd h ASP 124 Ca 0.04 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.49 2bkd h ASP 124 Cb 0.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.26 2bkd h ASP 124 CO -0.00 0.02 0.00 0.00 -2.88 0.00 0.00 179.24 176.38 2bkd h THR 125 N 0.00 0.00 -1.33 2.25 1.03 -1.63 -3.42 112.91 109.82 2bkd h THR 125 Ca -0.00 -0.75 -0.67 0.00 -0.01 0.00 0.00 66.41 64.98 2bkd h THR 125 Cb 0.05 1.74 -0.26 0.00 -1.07 0.00 0.00 68.15 68.61 2bkd h THR 125 CO 0.00 0.00 0.87 0.49 -0.01 0.00 0.00 175.52 176.87 2bkd n PHE 126 N -3.01 2.86 0.00 0.00 3.72 -0.75 -5.05 117.46 115.23 2bkd n PHE 126 Ca 0.03 -2.59 0.00 0.00 -0.05 0.00 0.00 57.45 54.83 2bkd n PHE 126 Cb 0.43 -1.31 0.00 0.00 -0.94 0.00 0.00 39.48 37.66 2bkd n PHE 126 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2bkd n LYS 128 N -0.52 0.00 -2.94 -1.08 4.76 -1.26 -5.16 118.16 111.96 2bkd n LYS 128 Ca 0.56 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 55.60 2bkd n LYS 128 Cb 0.49 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.62 2bkd n LYS 128 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2bkd s ILE 129 N 0.00 4.47 -0.54 -0.18 1.01 -1.26 -5.00 121.20 119.70 2bkd s ILE 129 Ca 0.00 1.75 -0.19 0.00 0.00 0.00 0.00 60.65 62.21 2bkd s ILE 129 Cb 0.00 -4.17 0.08 0.00 0.01 0.00 0.00 42.46 38.38 2bkd s ILE 129 CO 0.00 0.45 0.64 -0.75 0.00 0.00 0.00 174.94 175.28 2bkd s LYS 130 N -0.68 3.08 0.21 2.79 2.36 -1.26 -4.90 119.74 121.35 2bkd s LYS 130 Ca 0.38 -1.08 0.00 0.00 -2.55 0.00 0.00 55.97 52.72 2bkd s LYS 130 Cb -0.23 -4.17 0.00 0.00 -1.05 0.00 0.00 37.83 32.39 2bkd s LYS 130 CO 0.26 -1.34 0.00 -0.11 1.55 0.00 0.00 175.35 175.72 2bkd n LEU 131 N 6.18 -1.33 -4.74 5.43 7.94 -1.26 -4.99 117.00 124.24 2bkd n LEU 131 Ca -0.08 1.20 -0.35 0.00 -1.11 0.00 0.00 56.01 55.66 2bkd n LEU 131 Cb 0.44 -0.59 0.06 0.00 0.53 0.00 0.00 43.42 43.86 2bkd n LEU 131 CO 0.55 0.08 0.84 -1.81 -1.11 0.00 0.00 177.39 175.94 2bkd s ASP 132 N -2.84 4.77 0.09 1.96 1.11 -1.26 -5.06 116.67 115.45 2bkd s ASP 132 Ca 0.00 2.41 0.07 0.00 0.18 0.00 0.00 52.55 55.21 2bkd s ASP 132 Cb 0.00 -2.60 -0.03 0.00 1.07 0.00 0.00 42.92 41.36 2bkd s ASP 132 CO 0.00 -1.88 -0.19 0.54 1.18 0.00 0.00 175.17 174.83 2bkd s VAL 133 N -1.71 1.52 -2.00 -1.27 0.11 -1.26 -5.26 120.40 110.53 2bkd s VAL 133 Ca 0.77 -1.45 0.04 0.00 -2.93 0.00 0.00 61.98 58.41 2bkd s VAL 133 Cb -0.31 -1.40 0.11 0.00 -1.53 0.00 0.00 36.38 33.25 2bkd s VAL 133 CO 0.38 -0.10 0.71 -2.65 -3.33 0.00 0.00 175.10 170.12