#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bkd s GLU 2 N 0.00 3.22 0.00 3.17 8.01 -1.26 -5.03 118.70 126.80 2bkd s GLU 2 Ca 0.00 -0.78 0.00 0.00 0.01 0.00 0.00 54.97 54.20 2bkd s GLU 2 Cb 0.00 -2.50 0.00 0.00 -4.31 0.00 0.00 34.13 27.32 2bkd s GLU 2 CO 0.00 0.16 0.00 0.39 0.01 0.00 0.00 175.26 175.82 2bkd n GLU 3 N 3.64 0.00 -2.92 1.61 1.02 -1.26 -5.09 120.64 117.64 2bkd n GLU 3 Ca -0.19 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.57 2bkd n GLU 3 Cb 0.53 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.88 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 0.00 4.46 -0.17 -4.62 2.01 -1.26 -4.92 118.68 114.17 2bkd s LEU 4 Ca 0.00 1.69 -0.07 0.00 0.01 0.00 0.00 54.13 55.76 2bkd s LEU 4 Cb 0.00 -3.64 -0.04 0.00 0.01 0.00 0.00 46.19 42.52 2bkd s LEU 4 CO 0.00 0.07 0.04 0.54 1.01 0.00 0.00 176.35 178.02 2bkd s VAL 5 N -1.40 4.64 0.40 -1.59 0.11 -1.26 -0.26 120.40 121.05 2bkd s VAL 5 Ca 0.43 -0.09 0.08 0.00 -2.93 0.00 0.00 61.98 59.46 2bkd s VAL 5 Cb -0.20 -3.08 -0.05 0.00 -1.53 0.00 0.00 36.38 31.52 2bkd s VAL 5 CO 0.25 0.47 0.17 0.68 -3.33 0.00 0.00 175.10 173.34 2bkd s VAL 6 N 0.32 2.40 -0.11 2.04 -7.23 -0.45 -4.62 120.40 112.75 2bkd s VAL 6 Ca 0.02 -1.71 -0.09 0.00 -1.81 0.00 0.00 61.98 58.39 2bkd s VAL 6 Cb -0.13 -2.98 -0.04 0.00 0.56 0.00 0.00 36.38 33.79 2bkd s VAL 6 CO 0.01 -0.03 0.21 -1.61 -0.31 0.00 0.00 175.10 173.36 2bkd s GLU 7 N -3.89 3.67 0.17 4.82 2.02 0.76 -1.32 118.70 124.93 2bkd s GLU 7 Ca 0.40 -0.01 0.08 0.00 0.02 0.00 0.00 54.97 55.47 2bkd s GLU 7 Cb 0.03 -3.23 -0.04 0.00 0.10 0.00 0.00 34.13 30.98 2bkd s GLU 7 CO 0.22 0.68 -0.17 0.14 0.02 0.00 0.00 175.26 176.15 2bkd s VAL 8 N -0.80 1.76 0.19 2.63 -7.23 -0.20 -0.93 120.40 115.81 2bkd s VAL 8 Ca 0.16 -1.97 0.09 0.00 -1.81 0.00 0.00 61.98 58.45 2bkd s VAL 8 Cb -0.13 -1.86 -0.04 0.00 0.56 0.00 0.00 36.38 34.91 2bkd s VAL 8 CO 0.05 -0.39 -0.18 0.00 -0.31 0.00 0.00 175.10 174.28 2bkd s ARG 9 N -2.98 1.35 0.00 4.82 3.03 -0.97 -1.23 118.95 122.96 2bkd s ARG 9 Ca 0.17 -1.51 0.00 0.00 2.03 0.00 0.00 55.73 56.42 2bkd s ARG 9 Cb -0.05 -1.34 0.00 0.00 -1.03 0.00 0.00 34.95 32.54 2bkd s ARG 9 CO 0.06 0.26 0.00 0.41 -1.13 0.00 0.00 175.30 174.90 2bkd n GLY 10 N -0.02 3.07 3.66 3.88 0.00 -1.26 -4.89 105.19 109.63 2bkd n GLY 10 Ca -0.11 -0.11 -0.23 0.00 0.00 0.00 0.00 46.02 45.58 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 -3.21 0.00 1.61 2.88 -1.26 -4.87 113.62 108.77 2bkd n SER 11 Ca 0.00 -0.70 0.00 0.00 -1.33 0.00 0.00 58.87 56.84 2bkd n SER 11 Cb 0.00 -4.49 0.00 0.00 -0.75 0.00 0.00 64.21 58.97 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 -3.02 0.00 0.00 -3.46 2.85 -1.26 -5.07 115.26 105.30 2bkd n ASN 12 Ca -0.16 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.31 2bkd n ASN 12 Cb 0.62 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.64 2bkd n ASN 12 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2bkd n GLY 13 N 0.00 2.58 4.01 8.20 0.00 -1.26 -4.79 105.19 113.93 2bkd n GLY 13 Ca 0.00 -0.29 -0.19 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 4.47 -0.17 4.61 0.00 -1.26 -5.09 121.76 124.32 2bkd s ALA 14 Ca 0.00 -1.79 -0.21 0.00 0.00 0.00 0.00 51.96 49.96 2bkd s ALA 14 Cb 0.00 -1.65 -0.03 0.00 0.00 0.00 0.00 23.12 21.45 2bkd s ALA 14 CO 0.00 -0.59 0.65 -0.06 0.00 0.00 0.00 175.76 175.76 2bkd s PHE 15 N -2.54 3.42 -0.04 0.00 0.08 -1.26 -4.64 117.98 113.00 2bkd s PHE 15 Ca 0.58 1.00 0.05 0.00 0.12 0.00 0.00 56.93 58.69 2bkd s PHE 15 Cb -0.08 -2.80 -0.01 0.00 -0.57 0.00 0.00 43.02 39.56 2bkd s PHE 15 CO 0.36 -0.12 -0.19 1.52 -0.10 0.00 0.00 175.22 176.69 2bkd s TYR 16 N 1.68 1.84 0.16 0.36 1.13 -0.37 -4.87 117.35 117.28 2bkd s TYR 16 Ca 0.31 -0.49 -0.28 0.00 -1.41 0.00 0.00 57.07 55.20 2bkd s TYR 16 Cb -0.16 -1.22 -0.08 0.00 -1.10 0.00 0.00 41.96 39.41 2bkd s TYR 16 CO 0.12 -0.14 0.86 0.15 -2.51 0.00 0.00 175.55 174.03 2bkd s LYS 17 N -0.11 4.68 0.03 -3.49 1.02 -1.26 -1.04 119.74 119.57 2bkd s LYS 17 Ca -0.01 1.31 0.02 0.00 0.02 0.00 0.00 55.97 57.31 2bkd s LYS 17 Cb -0.11 -3.30 -0.02 0.00 -0.52 0.00 0.00 37.83 33.88 2bkd s LYS 17 CO 0.02 0.45 -0.07 0.00 -0.92 0.00 0.00 175.35 174.82 2bkd s ALA 18 N -0.80 0.55 -0.11 5.17 0.00 -0.44 -4.89 121.76 121.24 2bkd s ALA 18 Ca 0.40 -0.60 0.01 0.00 0.00 0.00 0.00 51.96 51.77 2bkd s ALA 18 Cb -0.24 -0.01 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 2bkd s ALA 18 CO 0.28 0.03 -0.13 -0.06 0.00 0.00 0.00 175.76 175.88 2bkd s PHE 19 N -0.97 2.79 0.24 0.00 0.08 -0.37 -1.34 117.98 118.41 2bkd s PHE 19 Ca -0.06 -0.55 -0.30 0.00 0.12 0.00 0.00 56.93 56.15 2bkd s PHE 19 Cb -0.07 -1.80 -0.09 0.00 -0.57 0.00 0.00 43.02 40.49 2bkd s PHE 19 CO 0.00 -0.13 1.20 0.54 -0.10 0.00 0.00 175.22 176.73 2bkd s VAL 20 N 0.13 3.38 -0.22 -0.44 0.11 0.65 -0.30 120.40 123.71 2bkd s VAL 20 Ca -0.07 1.25 -0.09 0.00 -2.93 0.00 0.00 61.98 60.15 2bkd s VAL 20 Cb -0.15 -3.80 -0.11 0.00 -1.53 0.00 0.00 36.38 30.80 2bkd s VAL 20 CO 0.05 0.24 -0.27 1.17 -3.33 0.00 0.00 175.10 172.96 2bkd n LYS 21 N 1.86 0.49 -3.50 1.54 3.00 0.40 -4.63 118.16 117.33 2bkd n LYS 21 Ca 0.02 0.19 -0.14 0.00 -0.00 0.00 0.00 58.31 58.39 2bkd n LYS 21 Cb 0.44 -1.33 -0.04 0.00 0.00 0.00 0.00 35.03 34.10 2bkd n LYS 21 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2bkd s ASP 22 N -6.85 -0.54 0.45 3.14 2.15 -0.48 -4.98 116.67 109.55 2bkd s ASP 22 Ca -0.31 0.22 0.06 0.00 0.43 0.00 0.00 52.55 52.95 2bkd s ASP 22 Cb 0.11 0.55 -0.04 0.00 -0.30 0.00 0.00 42.92 43.24 2bkd s ASP 22 CO 0.42 -0.80 0.13 0.68 -0.17 0.00 0.00 175.17 175.42 2bkd s VAL 23 N -2.72 1.90 -0.14 1.11 -7.23 -1.26 -0.61 120.40 111.45 2bkd s VAL 23 Ca -0.04 -1.81 -0.28 0.00 -1.81 0.00 0.00 61.98 58.04 2bkd s VAL 23 Cb -0.01 -2.71 -0.26 0.00 0.56 0.00 0.00 36.38 33.97 2bkd s VAL 23 CO -0.04 0.00 0.74 -0.08 -0.31 0.00 0.00 175.10 175.41 2bkd h GLU 25 N 1.41 0.03 0.00 4.82 4.57 -2.04 -3.49 114.58 119.87 2bkd h GLU 25 Ca -0.43 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 2bkd h GLU 25 Cb 1.27 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.88 2bkd h GLU 25 CO 0.72 1.02 -0.83 -0.40 -1.18 0.00 0.00 179.01 178.34 2bkd n ASP 26 N -4.55 1.00 -4.35 1.04 5.68 -1.26 -5.04 116.55 109.08 2bkd n ASP 26 Ca -0.12 -0.57 -0.18 0.00 -0.50 0.00 0.00 54.79 53.43 2bkd n ASP 26 Cb 0.53 1.15 -0.10 0.00 -1.14 0.00 0.00 41.12 41.55 2bkd n ASP 26 CO 0.00 0.00 0.00 -0.44 -1.33 0.00 0.00 177.20 175.43 2bkd s SER 27 N -2.47 1.51 -0.07 -1.12 0.01 -1.26 -4.09 113.70 106.21 2bkd s SER 27 Ca 0.02 -1.36 0.02 0.00 1.31 0.00 0.00 55.95 55.94 2bkd s SER 27 Cb 0.09 0.09 0.01 0.00 0.21 0.00 0.00 66.02 66.42 2bkd s SER 27 CO 0.49 -0.68 -0.13 -0.51 0.41 0.00 0.00 173.24 172.82 2bkd s ILE 28 N -3.62 1.19 -0.20 1.44 2.07 0.13 -4.60 121.20 117.60 2bkd s ILE 28 Ca 0.36 -0.50 -0.10 0.00 -1.41 0.00 0.00 60.65 59.01 2bkd s ILE 28 Cb 0.08 -1.09 -0.05 0.00 0.13 0.00 0.00 42.46 41.53 2bkd s ILE 28 CO 0.13 0.37 0.13 -0.89 -1.91 0.00 0.00 174.94 172.77 2bkd s THR 29 N 0.73 5.38 0.11 4.00 2.01 0.22 -1.63 115.64 126.47 2bkd s THR 29 Ca -0.13 0.18 -0.02 0.00 0.31 0.00 0.00 61.69 62.02 2bkd s THR 29 Cb -0.16 -3.45 -0.03 0.00 0.01 0.00 0.00 72.50 68.87 2bkd s THR 29 CO 0.03 0.44 0.07 0.68 -0.69 0.00 0.00 174.62 175.15 2bkd s VAL 30 N 0.35 0.13 -0.03 3.82 -7.23 0.08 -0.46 120.40 117.07 2bkd s VAL 30 Ca 0.08 -1.79 -0.01 0.00 -1.81 0.00 0.00 61.98 58.44 2bkd s VAL 30 Cb -0.11 -1.86 0.02 0.00 0.56 0.00 0.00 36.38 34.99 2bkd s VAL 30 CO -0.02 -0.59 0.06 0.00 -0.31 0.00 0.00 175.10 174.24 2bkd s ALA 31 N -4.00 -0.08 0.23 1.32 0.00 0.59 -2.07 121.76 117.76 2bkd s ALA 31 Ca 0.18 0.27 -0.12 0.00 0.00 0.00 0.00 51.96 52.29 2bkd s ALA 31 Cb 0.07 -0.19 -0.08 0.00 0.00 0.00 0.00 23.12 22.93 2bkd s ALA 31 CO -0.02 -0.07 0.60 -0.06 0.00 0.00 0.00 175.76 176.21 2bkd s PHE 32 N 0.52 3.45 -1.26 0.00 0.08 -1.25 -1.23 117.98 118.28 2bkd s PHE 32 Ca -0.04 1.00 -0.11 0.00 0.12 0.00 0.00 56.93 57.89 2bkd s PHE 32 Cb -0.06 -2.35 -0.06 0.00 -0.57 0.00 0.00 43.02 39.98 2bkd s PHE 32 CO -0.02 0.26 2.41 -1.91 -0.10 0.00 0.00 175.22 175.86 2bkd n GLU 33 N 0.01 2.73 0.00 0.44 2.13 -1.26 -4.14 120.64 120.55 2bkd n GLU 33 Ca 0.00 -2.01 0.00 0.00 0.66 0.00 0.00 57.16 55.81 2bkd n GLU 33 Cb 0.52 -2.82 0.00 0.00 0.27 0.00 0.00 31.44 29.42 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 4.86 0.00 0.26 4.31 5.15 -1.26 -4.60 115.26 123.97 2bkd n ASN 34 Ca 0.59 0.00 0.15 0.00 -0.60 0.00 0.00 54.58 54.72 2bkd n ASN 34 Cb 0.26 0.00 0.56 0.00 -0.53 0.00 0.00 39.78 40.07 2bkd n ASN 34 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2bkd h ASN 35 N 0.00 0.00 -1.96 1.20 -1.07 -1.96 -3.32 115.58 108.47 2bkd h ASN 35 Ca 0.00 0.00 -0.39 0.00 0.07 0.00 0.00 56.30 55.98 2bkd h ASN 35 Cb 0.00 0.00 -0.31 0.00 -2.07 0.00 0.00 38.32 35.94 2bkd h ASN 35 CO 0.00 0.04 -0.71 -1.66 0.07 0.00 0.00 177.43 175.17 2bkd s TRP 36 N -3.58 -0.18 -0.08 4.14 1.48 -1.26 -5.10 118.94 114.35 2bkd s TRP 36 Ca 0.02 -1.02 -0.00 0.00 -1.06 0.00 0.00 56.10 54.04 2bkd s TRP 36 Cb 0.08 -0.44 0.00 0.00 -1.16 0.00 0.00 33.47 31.96 2bkd s TRP 36 CO 0.58 -0.97 0.00 1.04 -4.06 0.00 0.00 176.95 173.54 2bkd n GLN 37 N 3.98 -0.98 0.00 3.25 1.13 -1.25 -4.70 117.38 118.80 2bkd n GLN 37 Ca 0.14 1.14 0.12 0.00 -1.94 0.00 0.00 57.00 56.46 2bkd n GLN 37 Cb 0.46 -2.21 0.72 0.00 0.11 0.00 0.00 30.24 29.31 2bkd n GLN 37 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 2bkd n PRO 38 N 0.20 0.99 -4.03 -1.09 -0.04 -1.26 -3.95 135.00 125.83 2bkd n PRO 38 Ca -0.00 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.13 2bkd n PRO 38 Cb 0.01 -1.38 -0.15 0.00 -0.04 0.00 0.00 33.50 31.94 2bkd n PRO 38 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2bkd s ASP 39 N -1.76 4.56 -0.08 3.54 1.01 -1.26 -4.13 116.67 118.55 2bkd s ASP 39 Ca 0.36 -1.39 -0.07 0.00 0.71 0.00 0.00 52.55 52.17 2bkd s ASP 39 Cb 0.17 -1.59 0.02 0.00 1.01 0.00 0.00 42.92 42.53 2bkd s ASP 39 CO 0.28 -0.21 0.20 -0.60 0.21 0.00 0.00 175.17 175.05 2bkd s ARG 40 N 1.13 0.22 -0.11 8.23 6.06 -0.88 -5.02 118.95 128.58 2bkd s ARG 40 Ca -0.08 0.30 0.02 0.00 -2.50 0.00 0.00 55.73 53.48 2bkd s ARG 40 Cb -0.20 0.08 0.01 0.00 0.06 0.00 0.00 34.95 34.90 2bkd s ARG 40 CO -0.04 -0.05 -0.17 -1.14 -2.50 0.00 0.00 175.30 171.40 2bkd s GLN 41 N 0.26 2.41 0.06 5.12 0.74 -1.26 -0.74 119.66 126.25 2bkd s GLN 41 Ca -0.01 -0.64 0.07 0.00 0.05 0.00 0.00 55.36 54.83 2bkd s GLN 41 Cb -0.03 -1.98 -0.03 0.00 1.10 0.00 0.00 33.01 32.08 2bkd s GLN 41 CO -0.01 -0.01 -0.20 0.96 -0.55 0.00 0.00 175.29 175.49 2bkd s ILE 42 N 0.82 1.61 0.97 -2.34 -4.36 -0.64 -4.97 121.20 112.28 2bkd s ILE 42 Ca -0.10 -1.28 -0.12 0.00 -0.26 0.00 0.00 60.65 58.90 2bkd s ILE 42 Cb -0.16 -1.43 0.17 0.00 1.25 0.00 0.00 42.46 42.30 2bkd s ILE 42 CO 0.01 0.10 1.08 -2.16 0.24 0.00 0.00 174.94 174.21 2bkd s PRO 43 N -1.39 0.63 0.00 0.37 0.04 -1.26 -0.70 135.00 132.69 2bkd s PRO 43 Ca 0.06 0.87 -0.00 0.00 0.04 0.00 0.00 61.00 61.97 2bkd s PRO 43 Cb -0.09 -1.73 -0.01 0.00 0.04 0.00 0.00 34.50 32.71 2bkd s PRO 43 CO 0.02 -2.68 0.35 1.19 0.04 0.00 0.00 177.00 175.92 2bkd n PHE 44 N -4.20 0.00 0.00 0.56 3.72 -1.26 -3.72 117.46 112.56 2bkd n PHE 44 Ca 0.06 -0.06 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 2bkd n PHE 44 Cb 0.55 -0.35 0.00 0.00 -0.94 0.00 0.00 39.48 38.74 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 2.42 0.00 -4.86 4.37 8.00 -1.26 -4.50 116.55 120.72 2bkd n ASP 46 Ca 0.01 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.14 2bkd n ASP 46 Cb 0.03 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.07 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 5.47 0.07 2.53 1.01 -1.24 -2.30 120.40 125.93 2bkd s VAL 47 Ca 0.00 0.26 -0.05 0.00 0.00 0.00 0.00 61.98 62.19 2bkd s VAL 47 Cb 0.00 -3.43 -0.02 0.00 0.00 0.00 0.00 36.38 32.93 2bkd s VAL 47 CO 0.00 0.60 0.08 -0.13 0.00 0.00 0.00 175.10 175.65 2bkd s ARG 48 N -0.88 0.74 -0.09 2.72 3.00 -0.11 -4.53 118.95 119.80 2bkd s ARG 48 Ca 0.15 -1.11 -0.13 0.00 0.00 0.00 0.00 55.73 54.64 2bkd s ARG 48 Cb -0.12 0.28 -0.05 0.00 0.00 0.00 0.00 34.95 35.05 2bkd s ARG 48 CO 0.04 -0.19 0.33 -0.06 0.00 0.00 0.00 175.30 175.42 2bkd s PHE 49 N -3.90 3.60 -0.36 -0.53 0.08 -1.26 -0.17 117.98 115.43 2bkd s PHE 49 Ca 0.07 0.77 -0.28 0.00 0.12 0.00 0.00 56.93 57.60 2bkd s PHE 49 Cb 0.06 -2.27 -0.01 0.00 -0.57 0.00 0.00 43.02 40.23 2bkd s PHE 49 CO -0.10 0.48 1.66 -1.25 -0.10 0.00 0.00 175.22 175.91 2bkd s PRO 50 N -0.39 3.41 0.42 0.24 0.04 -1.26 -4.76 135.00 132.69 2bkd s PRO 50 Ca 0.20 1.24 -0.21 0.00 0.04 0.00 0.00 61.00 62.27 2bkd s PRO 50 Cb -0.14 -4.14 -0.11 0.00 0.04 0.00 0.00 34.50 30.15 2bkd s PRO 50 CO 0.08 -1.76 0.94 -1.25 0.04 0.00 0.00 177.00 175.05 2bkd s PRO 51 N 5.42 4.23 0.59 0.56 0.04 -1.26 -4.76 135.00 139.81 2bkd s PRO 51 Ca 0.73 1.10 0.02 0.00 0.04 0.00 0.00 61.00 62.89 2bkd s PRO 51 Cb -0.19 -2.22 0.11 0.00 0.04 0.00 0.00 34.50 32.24 2bkd s PRO 51 CO 0.33 -0.00 0.80 -0.35 0.04 0.00 0.00 177.00 177.82 2bkd n PRO 52 N -0.57 0.18 -0.10 0.56 -0.04 -1.26 -5.05 135.00 128.72 2bkd n PRO 52 Ca 0.07 -2.41 -0.24 0.00 -0.04 0.00 0.00 63.50 60.88 2bkd n PRO 52 Cb 0.54 -0.47 -0.11 0.00 -0.04 0.00 0.00 33.50 33.42 2bkd n PRO 52 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2bkd n VAL 53 N -2.48 1.57 -3.61 0.52 0.31 -1.26 -4.98 118.33 108.39 2bkd n VAL 53 Ca 0.14 -0.27 -0.10 0.00 -0.01 0.00 0.00 64.34 64.11 2bkd n VAL 53 Cb 0.50 -1.90 -0.10 0.00 -0.91 0.00 0.00 33.84 31.43 2bkd n VAL 53 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2bkd s GLY 54 N -5.29 -0.32 0.06 2.92 0.00 -1.26 -5.13 107.32 98.31 2bkd s GLY 54 Ca -0.31 1.29 0.02 0.00 0.00 0.00 0.00 44.72 45.72 2bkd s GLY 54 CO 0.59 2.36 -0.08 -0.19 0.00 0.00 0.00 173.10 175.78 2bkd s TYR 55 N 2.56 0.78 0.00 1.90 2.02 -1.26 -5.06 117.35 118.29 2bkd s TYR 55 Ca 0.01 -0.64 0.00 0.00 -0.37 0.00 0.00 57.07 56.07 2bkd s TYR 55 Cb -0.13 -0.46 0.00 0.00 -0.40 0.00 0.00 41.96 40.97 2bkd s TYR 55 CO -0.12 -0.10 0.00 0.09 -1.57 0.00 0.00 175.55 173.85 2bkd n ASN 56 N 0.91 0.00 -4.79 2.29 4.13 -1.26 -4.88 115.26 111.66 2bkd n ASN 56 Ca -0.19 0.00 -0.39 0.00 1.68 0.00 0.00 54.58 55.68 2bkd n ASN 56 Cb 0.57 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.75 2bkd n ASN 56 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2bkd s LYS 57 N 3.83 4.39 0.36 3.52 1.02 -1.26 -4.96 119.74 126.65 2bkd s LYS 57 Ca 0.00 0.95 0.00 0.00 0.02 0.00 0.00 55.97 56.94 2bkd s LYS 57 Cb 0.00 -3.25 0.00 0.00 -0.52 0.00 0.00 37.83 34.06 2bkd s LYS 57 CO 0.00 0.60 0.00 -3.47 -0.92 0.00 0.00 175.35 171.56 2bkd n ASP 58 N 1.68 -7.97 -4.88 2.83 2.03 -1.26 -4.92 116.55 104.06 2bkd n ASP 58 Ca -0.08 0.70 -0.30 0.00 0.52 0.00 0.00 54.79 55.63 2bkd n ASP 58 Cb 0.50 -4.15 -0.02 0.00 -0.72 0.00 0.00 41.12 36.73 2bkd n ASP 58 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2bkd s ILE 59 N -2.54 4.79 -0.13 5.18 -1.09 -1.26 -5.03 121.20 121.13 2bkd s ILE 59 Ca 0.00 0.58 0.02 0.00 -2.23 0.00 0.00 60.65 59.02 2bkd s ILE 59 Cb 0.00 -3.79 0.01 0.00 -1.58 0.00 0.00 42.46 37.11 2bkd s ILE 59 CO 0.00 -0.70 -0.21 0.20 -1.23 0.00 0.00 174.94 173.00 2bkd s ASN 60 N -3.54 2.95 0.07 3.58 0.02 -1.26 -4.98 114.94 111.79 2bkd s ASN 60 Ca 0.51 -0.56 0.25 0.00 -1.02 0.00 0.00 52.86 52.04 2bkd s ASN 60 Cb -0.10 -1.36 0.49 0.00 0.02 0.00 0.00 41.25 40.30 2bkd s ASN 60 CO 0.38 0.07 1.42 -1.84 0.02 0.00 0.00 177.10 177.15 2bkd n GLU 61 N 4.05 0.17 -0.17 -0.60 0.28 -1.26 -3.80 120.64 119.31 2bkd n GLU 61 Ca -0.20 0.06 -0.10 0.00 -0.16 0.00 0.00 57.16 56.75 2bkd n GLU 61 Cb 0.52 -1.61 0.00 0.00 1.43 0.00 0.00 31.44 31.77 2bkd n GLU 61 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2bkd h SER 62 N 0.00 0.95 0.00 -1.84 4.64 -1.88 -3.37 113.55 112.05 2bkd h SER 62 Ca 0.00 -0.35 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 2bkd h SER 62 Cb 0.64 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 2bkd h SER 62 CO 0.00 1.08 0.00 0.47 -0.87 0.00 0.00 176.83 177.51 2bkd n ASP 63 N -4.22 0.00 -4.36 4.97 8.00 -1.25 -4.83 116.55 114.86 2bkd n ASP 63 Ca 0.01 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.19 2bkd n ASP 63 Cb 0.38 0.00 -0.15 0.00 -0.02 0.00 0.00 41.12 41.33 2bkd n ASP 63 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2bkd s GLU 64 N 4.70 2.37 0.24 -1.24 2.02 -1.26 -1.87 118.70 123.67 2bkd s GLU 64 Ca 0.00 -0.84 0.03 0.00 0.02 0.00 0.00 54.97 54.17 2bkd s GLU 64 Cb 0.00 -2.19 -0.05 0.00 0.10 0.00 0.00 34.13 31.98 2bkd s GLU 64 CO 0.00 0.53 0.04 0.14 0.02 0.00 0.00 175.26 175.98 2bkd s VAL 65 N -0.52 0.84 -0.19 2.63 -7.23 0.73 -4.91 120.40 111.75 2bkd s VAL 65 Ca 0.07 -2.01 -0.03 0.00 -1.81 0.00 0.00 61.98 58.20 2bkd s VAL 65 Cb -0.11 -2.45 -0.01 0.00 0.56 0.00 0.00 36.38 34.37 2bkd s VAL 65 CO 0.01 -0.21 -0.07 -1.61 -0.31 0.00 0.00 175.10 172.91 2bkd s GLU 66 N -3.93 3.39 -0.14 4.82 2.02 -0.29 -1.44 118.70 123.14 2bkd s GLU 66 Ca 0.32 -0.64 0.02 0.00 0.02 0.00 0.00 54.97 54.69 2bkd s GLU 66 Cb 0.07 -2.90 0.01 0.00 0.10 0.00 0.00 34.13 31.41 2bkd s GLU 66 CO 0.10 -0.07 -0.21 0.14 0.02 0.00 0.00 175.26 175.25 2bkd s VAL 67 N 1.12 1.96 -0.22 2.63 -7.23 0.06 -1.72 120.40 117.00 2bkd s VAL 67 Ca 0.01 -0.91 -0.01 0.00 -1.81 0.00 0.00 61.98 59.25 2bkd s VAL 67 Cb -0.15 -1.74 0.07 0.00 0.56 0.00 0.00 36.38 35.12 2bkd s VAL 67 CO -0.01 0.53 0.02 -0.72 -0.31 0.00 0.00 175.10 174.60 2bkd s TYR 68 N 0.87 1.57 0.07 2.82 1.13 -1.25 -1.56 117.35 121.00 2bkd s TYR 68 Ca -0.06 -1.28 0.03 0.00 -1.41 0.00 0.00 57.07 54.35 2bkd s TYR 68 Cb -0.15 -1.31 -0.03 0.00 -1.10 0.00 0.00 41.96 39.37 2bkd s TYR 68 CO -0.02 -0.70 -0.10 -1.12 -2.51 0.00 0.00 175.55 171.09 2bkd s SER 69 N 1.67 1.27 -0.38 -0.18 0.01 -1.26 -5.01 113.70 109.83 2bkd s SER 69 Ca -0.01 -0.65 -0.09 0.00 1.31 0.00 0.00 55.95 56.51 2bkd s SER 69 Cb -0.18 0.00 0.05 0.00 0.21 0.00 0.00 66.02 66.10 2bkd s SER 69 CO -0.10 -0.19 0.19 -0.60 0.41 0.00 0.00 173.24 172.95 2bkd s ARG 70 N -2.01 2.69 -0.13 12.44 3.00 -1.26 -4.91 118.95 128.77 2bkd s ARG 70 Ca -0.03 -1.22 -0.23 0.00 -1.00 0.00 0.00 55.73 53.25 2bkd s ARG 70 Cb -0.08 -3.66 -0.21 0.00 0.00 0.00 0.00 34.95 31.01 2bkd s ARG 70 CO 0.01 -0.76 0.62 0.00 0.00 0.00 0.00 175.30 175.16 2bkd h ALA 71 N 8.36 -0.00 -3.00 6.12 0.00 -1.99 -3.48 119.26 125.27 2bkd h ALA 71 Ca -0.24 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2bkd h ALA 71 Cb 1.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2bkd h ALA 71 CO 0.67 -0.00 0.00 0.27 0.00 0.00 0.00 179.25 180.19 2bkd n ASN 72 N -4.65 0.00 -0.19 0.00 0.23 -1.26 -5.04 115.26 104.36 2bkd n ASN 72 Ca -0.08 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.97 2bkd n ASN 72 Cb 0.38 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.08 2bkd n ASN 72 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 2bkd n GLU 73 N 0.00 0.00 -3.64 -3.83 0.28 -1.26 -5.09 120.64 107.10 2bkd n GLU 73 Ca 0.00 -0.03 -0.23 0.00 -0.16 0.00 0.00 57.16 56.73 2bkd n GLU 73 Cb 0.00 -0.02 0.00 0.00 1.43 0.00 0.00 31.44 32.85 2bkd n GLU 73 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2bkd n LYS 74 N 0.00 -1.12 -0.04 3.44 4.76 -1.26 -4.84 118.16 119.10 2bkd n LYS 74 Ca 0.00 0.50 -0.01 0.00 -2.87 0.00 0.00 58.31 55.93 2bkd n LYS 74 Cb 0.50 -1.81 -0.00 0.00 -1.84 0.00 0.00 35.03 31.88 2bkd n LYS 74 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 2bkd h GLU 75 N -0.31 0.00 -7.48 1.97 5.08 -1.99 -3.39 114.58 108.47 2bkd h GLU 75 Ca -0.54 0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 57.36 2bkd h GLU 75 Cb 1.15 0.00 0.11 0.00 0.50 0.00 0.00 28.75 30.51 2bkd h GLU 75 CO 0.32 0.00 0.29 -1.25 -1.00 0.00 0.00 179.01 177.37 2bkd s PRO 76 N -1.55 1.56 -0.01 2.33 0.04 -1.26 -4.93 135.00 131.17 2bkd s PRO 76 Ca -0.03 -0.43 -0.27 0.00 0.04 0.00 0.00 61.00 60.31 2bkd s PRO 76 Cb 0.00 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 2bkd s PRO 76 CO 0.05 -1.71 0.86 0.00 0.04 0.00 0.00 177.00 176.24 2bkd n TRP 79 N 0.54 -0.03 0.00 0.00 -0.00 -1.26 -5.00 117.44 111.69 2bkd n TRP 79 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.46 2bkd n TRP 79 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.89 2bkd n TRP 79 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 177.69 178.60 2bkd n TRP 80 N 0.00 0.00 -4.25 5.87 7.02 -0.60 -4.78 117.44 120.69 2bkd n TRP 80 Ca 0.00 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.13 2bkd n TRP 80 Cb 0.00 0.00 -0.10 0.00 -2.42 0.00 0.00 31.31 28.79 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 3.62 0.06 -0.99 2.34 -1.26 -0.76 118.68 121.68 2bkd s LEU 81 Ca 0.00 0.08 -0.07 0.00 0.06 0.00 0.00 54.13 54.20 2bkd s LEU 81 Cb 0.00 -1.86 -0.01 0.00 -0.56 0.00 0.00 46.19 43.76 2bkd s LEU 81 CO 0.00 0.28 0.14 0.00 -1.06 0.00 0.00 176.35 175.71 2bkd s ALA 82 N -0.26 -0.14 -0.10 1.48 0.00 -0.52 -3.26 121.76 118.95 2bkd s ALA 82 Ca 0.06 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.46 2bkd s ALA 82 Cb -0.12 0.33 -0.02 0.00 0.00 0.00 0.00 23.12 23.31 2bkd s ALA 82 CO 0.02 -0.39 -0.09 0.15 0.00 0.00 0.00 175.76 175.44 2bkd s LYS 83 N -3.12 3.10 -0.11 0.00 3.01 0.09 -0.20 119.74 122.52 2bkd s LYS 83 Ca -0.01 -0.61 -0.07 0.00 -1.01 0.00 0.00 55.97 54.27 2bkd s LYS 83 Cb 0.02 -2.64 -0.04 0.00 -1.01 0.00 0.00 37.83 34.16 2bkd s LYS 83 CO -0.07 0.43 0.15 0.08 0.51 0.00 0.00 175.35 176.46 2bkd s VAL 84 N -0.20 5.49 -0.22 3.17 1.01 -0.78 -0.61 120.40 128.25 2bkd s VAL 84 Ca 0.02 0.22 -0.10 0.00 0.00 0.00 0.00 61.98 62.12 2bkd s VAL 84 Cb -0.13 -3.42 -0.18 0.00 0.00 0.00 0.00 36.38 32.65 2bkd s VAL 84 CO 0.03 0.60 -0.04 -1.14 0.00 0.00 0.00 175.10 174.55 2bkd n ARG 85 N 1.92 0.64 -3.66 2.72 0.00 0.69 -4.55 116.66 114.42 2bkd n ARG 85 Ca -0.19 0.30 -0.10 0.00 -0.00 0.00 0.00 57.85 57.86 2bkd n ARG 85 Cb 0.55 -1.60 -0.04 0.00 0.00 0.00 0.00 32.46 31.36 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 -2.49 1.12 -0.20 -0.14 0.23 -1.24 -4.84 119.30 111.74 2bkd s MET 86 Ca -0.32 -0.74 -0.05 0.00 -1.03 0.00 0.00 55.69 53.54 2bkd s MET 86 Cb 0.10 0.48 -0.03 0.00 -1.53 0.00 0.00 34.83 33.85 2bkd s MET 86 CO 0.60 -0.45 0.01 0.42 -2.03 0.00 0.00 175.02 173.57 2bkd s ILE 87 N -3.82 4.04 -0.31 3.16 -1.09 -1.26 -1.94 121.20 119.98 2bkd s ILE 87 Ca 0.04 -0.28 0.00 0.00 -2.23 0.00 0.00 60.65 58.18 2bkd s ILE 87 Cb 0.01 -2.83 0.10 0.00 -1.58 0.00 0.00 42.46 38.16 2bkd s ILE 87 CO -0.10 0.43 0.07 -0.75 -1.23 0.00 0.00 174.94 173.36 2bkd s LYS 88 N 0.98 0.95 0.00 2.79 2.20 0.52 -5.02 119.74 122.16 2bkd s LYS 88 Ca 0.02 -1.23 0.00 0.00 -0.36 0.00 0.00 55.97 54.40 2bkd s LYS 88 Cb -0.14 -2.31 0.00 0.00 -1.51 0.00 0.00 37.83 33.86 2bkd s LYS 88 CO 0.02 -0.94 0.00 0.41 -0.36 0.00 0.00 175.35 174.48 2bkd n GLY 89 N 4.71 0.00 2.41 5.54 0.00 -1.26 -1.41 105.19 115.17 2bkd n GLY 89 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2bkd n GLY 89 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2bkd n GLU 90 N 0.65 0.00 -4.04 1.61 2.13 -1.26 -5.00 120.64 114.72 2bkd n GLU 90 Ca 0.00 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.46 2bkd n GLU 90 Cb 0.03 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.66 2bkd n GLU 90 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 2bkd s PHE 91 N -0.67 3.36 -0.05 4.31 0.40 -0.50 -1.66 117.98 123.17 2bkd s PHE 91 Ca 0.00 0.29 0.03 0.00 -0.60 0.00 0.00 56.93 56.65 2bkd s PHE 91 Cb 0.00 -1.95 0.01 0.00 0.51 0.00 0.00 43.02 41.59 2bkd s PHE 91 CO 0.00 0.47 -0.13 0.71 0.70 0.00 0.00 175.22 176.97 2bkd s TYR 92 N -0.49 1.42 -0.17 0.36 1.51 -0.20 -0.35 117.35 119.42 2bkd s TYR 92 Ca 0.11 -0.48 -0.14 0.00 -1.01 0.00 0.00 57.07 55.54 2bkd s TYR 92 Cb -0.12 -1.02 -0.04 0.00 -0.11 0.00 0.00 41.96 40.66 2bkd s TYR 92 CO 0.02 -0.23 0.32 0.08 -1.11 0.00 0.00 175.55 174.64 2bkd s VAL 93 N 0.47 5.28 0.00 0.71 1.01 -0.82 -1.54 120.40 125.51 2bkd s VAL 93 Ca -0.11 0.59 0.07 0.00 0.00 0.00 0.00 61.98 62.53 2bkd s VAL 93 Cb -0.14 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 2bkd s VAL 93 CO 0.03 0.34 -0.22 -0.63 0.00 0.00 0.00 175.10 174.62 2bkd s ILE 94 N 0.75 1.77 -0.13 2.22 1.09 -0.45 -0.22 121.20 126.23 2bkd s ILE 94 Ca 0.17 -1.03 -0.01 0.00 -1.10 0.00 0.00 60.65 58.68 2bkd s ILE 94 Cb -0.14 -1.49 -0.02 0.00 -1.06 0.00 0.00 42.46 39.76 2bkd s ILE 94 CO 0.05 0.43 -0.10 -0.70 -0.10 0.00 0.00 174.94 174.52 2bkd s GLU 95 N -0.71 3.37 0.01 2.79 2.12 0.22 -2.47 118.70 124.02 2bkd s GLU 95 Ca 0.09 -0.63 -0.05 0.00 0.36 0.00 0.00 54.97 54.74 2bkd s GLU 95 Cb -0.09 -2.69 -0.05 0.00 0.26 0.00 0.00 34.13 31.57 2bkd s GLU 95 CO -0.00 0.28 0.25 0.71 -0.54 0.00 0.00 175.26 175.95 2bkd s TYR 96 N 0.20 3.56 -0.42 5.30 2.02 -1.26 -0.73 117.35 126.02 2bkd s TYR 96 Ca -0.06 0.49 -0.20 0.00 -0.37 0.00 0.00 57.07 56.94 2bkd s TYR 96 Cb -0.15 -1.93 0.02 0.00 -0.40 0.00 0.00 41.96 39.50 2bkd s TYR 96 CO 0.04 0.61 0.58 0.00 -1.57 0.00 0.00 175.55 175.21 2bkd s ALA 97 N -1.33 3.39 0.00 3.71 0.00 -1.20 -4.86 121.76 121.46 2bkd s ALA 97 Ca 0.28 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 50.99 2bkd s ALA 97 Cb -0.13 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.79 2bkd s ALA 97 CO 0.18 -1.65 0.00 0.00 0.00 0.00 0.00 175.76 174.28 2bkd n ALA 98 N 6.03 0.00 -1.23 0.00 0.00 -1.26 -4.70 120.51 119.35 2bkd n ALA 98 Ca -0.03 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.20 2bkd n ALA 98 Cb 0.48 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.87 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 1.10 -1.67 0.00 0.00 -0.08 -1.26 -5.10 116.55 109.54 2bkd n ASP 100 Ca 0.42 0.26 0.00 0.00 -1.51 0.00 0.00 54.79 53.95 2bkd n ASP 100 Cb 0.63 -0.98 0.00 0.00 2.34 0.00 0.00 41.12 43.10 2bkd n ASP 100 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2bkd n ALA 101 N -2.57 0.35 -2.00 -1.67 0.00 -1.26 -5.11 120.51 108.25 2bkd n ALA 101 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2bkd n ALA 101 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.59 2bkd n ALA 101 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2bkd n THR 102 N 0.00 0.00 -0.80 0.00 5.66 -1.26 -5.16 114.28 112.72 2bkd n THR 102 Ca 0.00 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.71 2bkd n THR 102 Cb 0.00 0.00 0.24 0.00 -1.55 0.00 0.00 70.33 69.02 2bkd n THR 102 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 2bkd s TYR 103 N 1.96 0.70 -0.18 1.09 1.13 -1.26 -5.04 117.35 115.75 2bkd s TYR 103 Ca 0.00 0.75 -0.15 0.00 -1.41 0.00 0.00 57.07 56.26 2bkd s TYR 103 Cb 0.00 -3.19 -0.04 0.00 -1.10 0.00 0.00 41.96 37.62 2bkd s TYR 103 CO 0.00 -4.00 0.35 -0.80 -2.51 0.00 0.00 175.55 168.59 2bkd s ASN 104 N -3.31 6.44 0.08 -0.18 0.02 -1.26 -5.00 114.94 111.73 2bkd s ASN 104 Ca 0.69 0.51 -0.17 0.00 -1.02 0.00 0.00 52.86 52.87 2bkd s ASN 104 Cb -0.16 -2.21 -0.07 0.00 0.02 0.00 0.00 41.25 38.84 2bkd s ASN 104 CO 0.59 0.01 0.54 -1.61 0.02 0.00 0.00 177.10 176.65 2bkd s GLU 105 N 0.87 4.10 -0.32 -0.60 2.02 -1.03 -4.85 118.70 118.89 2bkd s GLU 105 Ca 0.18 0.62 -0.19 0.00 0.02 0.00 0.00 54.97 55.60 2bkd s GLU 105 Cb -0.14 -3.16 -0.01 0.00 0.10 0.00 0.00 34.13 30.92 2bkd s GLU 105 CO 0.06 0.61 0.55 0.96 0.02 0.00 0.00 175.26 177.47 2bkd s ILE 106 N -1.19 4.99 0.13 -1.63 -5.25 -1.26 -1.34 121.20 115.66 2bkd s ILE 106 Ca 0.30 0.60 0.07 0.00 -0.99 0.00 0.00 60.65 60.63 2bkd s ILE 106 Cb -0.18 -3.96 -0.04 0.00 2.95 0.00 0.00 42.46 41.24 2bkd s ILE 106 CO 0.18 -0.15 -0.17 -0.69 -1.79 0.00 0.00 174.94 172.32 2bkd s VAL 107 N 2.47 1.56 0.40 8.37 1.01 -0.59 -4.95 120.40 128.66 2bkd s VAL 107 Ca 0.21 -1.73 0.08 0.00 0.00 0.00 0.00 61.98 60.54 2bkd s VAL 107 Cb -0.15 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.60 2bkd s VAL 107 CO 0.12 -0.31 0.44 0.42 0.00 0.00 0.00 175.10 175.77 2bkd s THR 108 N -1.88 3.07 0.94 3.92 -4.23 -1.26 -1.03 115.64 115.16 2bkd s THR 108 Ca 0.10 -1.20 -0.16 0.00 -1.18 0.00 0.00 61.69 59.26 2bkd s THR 108 Cb -0.06 -3.08 -0.11 0.00 1.34 0.00 0.00 72.50 70.59 2bkd s THR 108 CO 0.04 -0.05 -0.44 0.00 -0.54 0.00 0.00 174.62 173.64 2bkd n ILE 109 N -1.63 0.08 0.00 2.99 0.13 -0.67 -3.69 119.36 116.58 2bkd n ILE 109 Ca 0.04 -0.43 0.00 0.00 -1.10 0.00 0.00 62.75 61.26 2bkd n ILE 109 Cb 0.60 -0.16 0.00 0.00 -0.84 0.00 0.00 39.64 39.24 2bkd n ILE 109 CO 0.00 0.00 0.00 1.21 2.80 0.00 0.00 176.55 180.56 2bkd n GLU 110 N 1.41 0.00 0.23 9.51 4.07 -1.26 -4.66 120.64 129.93 2bkd n GLU 110 Ca 0.01 0.00 0.12 0.00 -0.06 0.00 0.00 57.16 57.24 2bkd n GLU 110 Cb 0.54 0.00 0.32 0.00 -0.06 0.00 0.00 31.44 32.24 2bkd n GLU 110 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2bkd h ARG 111 N 0.00 0.00 -5.05 5.31 3.08 -1.95 -3.44 114.38 112.32 2bkd h ARG 111 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.40 2bkd h ARG 111 Cb 0.00 0.00 -0.34 0.00 0.08 0.00 0.00 29.97 29.71 2bkd h ARG 111 CO 0.00 0.07 -0.86 -0.51 -1.07 0.00 0.00 179.97 177.60 2bkd s LEU 112 N -6.27 1.98 0.24 3.04 1.43 -1.26 -3.82 118.68 114.02 2bkd s LEU 112 Ca 0.05 -0.54 -0.07 0.00 -1.03 0.00 0.00 54.13 52.53 2bkd s LEU 112 Cb 0.07 -1.32 -0.02 0.00 0.03 0.00 0.00 46.19 44.95 2bkd s LEU 112 CO 0.64 0.06 0.35 0.00 0.23 0.00 0.00 176.35 177.64 2bkd s ARG 113 N 0.85 1.47 0.45 1.70 1.70 -0.70 -4.96 118.95 119.46 2bkd s ARG 113 Ca -0.08 -1.46 0.06 0.00 -0.47 0.00 0.00 55.73 53.79 2bkd s ARG 113 Cb -0.15 0.40 -0.03 0.00 -0.57 0.00 0.00 34.95 34.59 2bkd s ARG 113 CO -0.01 -0.57 0.18 -1.54 -1.08 0.00 0.00 175.30 172.28 2bkd s SER 114 N -3.10 4.39 0.00 -2.89 1.04 -1.26 -1.13 113.70 110.74 2bkd s SER 114 Ca 0.29 -1.19 0.00 0.00 0.48 0.00 0.00 55.95 55.53 2bkd s SER 114 Cb 0.02 -0.21 0.00 0.00 0.10 0.00 0.00 66.02 65.93 2bkd s SER 114 CO 0.12 -0.67 0.00 0.52 0.98 0.00 0.00 173.24 174.19 2bkd n VAL 115 N -1.31 0.00 -3.52 5.02 0.31 -1.26 -5.02 118.33 112.55 2bkd n VAL 115 Ca -0.04 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.20 2bkd n VAL 115 Cb 0.65 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.55 2bkd n VAL 115 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2bkd s ASN 116 N 0.82 -0.40 -1.28 4.52 0.01 -1.26 -5.03 114.94 112.32 2bkd s ASN 116 Ca 0.00 0.14 -0.09 0.00 -0.71 0.00 0.00 52.86 52.20 2bkd s ASN 116 Cb 0.00 0.39 -0.07 0.00 0.41 0.00 0.00 41.25 41.98 2bkd s ASN 116 CO 0.00 -0.58 2.52 -0.81 -1.51 0.00 0.00 177.10 176.72 2bkd n PRO 117 N 0.04 2.87 -1.34 -0.60 -0.04 -1.26 -4.39 135.00 130.28 2bkd n PRO 117 Ca -0.10 -1.89 -0.34 0.00 -0.04 0.00 0.00 63.50 61.13 2bkd n PRO 117 Cb 0.61 -2.69 0.10 0.00 -0.04 0.00 0.00 33.50 31.48 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 2.88 4.05 0.31 3.54 2.20 -1.26 -5.03 114.94 121.62 2bkd s ASN 118 Ca 0.55 2.34 -0.09 0.00 -0.94 0.00 0.00 52.86 54.72 2bkd s ASN 118 Cb 0.14 -2.59 -0.06 0.00 -2.00 0.00 0.00 41.25 36.74 2bkd s ASN 118 CO -0.04 -2.36 0.63 -0.54 -2.94 0.00 0.00 177.10 171.85 2bkd s LYS 119 N -4.01 3.75 0.44 3.55 1.02 -1.26 -4.84 119.74 118.39 2bkd s LYS 119 Ca 0.73 0.27 -0.07 0.00 0.02 0.00 0.00 55.97 56.92 2bkd s LYS 119 Cb -0.28 -2.55 0.10 0.00 -0.52 0.00 0.00 37.83 34.57 2bkd s LYS 119 CO 0.47 0.16 0.55 -0.35 -0.92 0.00 0.00 175.35 175.26 2bkd n PRO 120 N -0.78 -0.83 -3.06 -1.68 -0.04 -1.26 -4.66 135.00 122.68 2bkd n PRO 120 Ca 0.01 -0.85 -0.19 0.00 -0.04 0.00 0.00 63.50 62.42 2bkd n PRO 120 Cb 0.53 -0.61 0.04 0.00 -0.04 0.00 0.00 33.50 33.43 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 -3.79 4.65 0.01 0.55 0.00 -1.26 -3.97 121.76 117.95 2bkd s ALA 121 Ca 0.32 -2.00 0.00 0.00 0.00 0.00 0.00 51.96 50.28 2bkd s ALA 121 Cb -0.01 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.64 2bkd s ALA 121 CO 0.23 -0.69 0.00 0.25 0.00 0.00 0.00 175.76 175.55 2bkd n THR 122 N -2.12 -3.91 0.00 0.00 -2.24 -1.26 -4.59 114.28 100.16 2bkd n THR 122 Ca 0.13 0.54 0.00 0.00 -2.27 0.00 0.00 64.05 62.45 2bkd n THR 122 Cb 0.61 -3.35 0.00 0.00 -2.10 0.00 0.00 70.33 65.49 2bkd n THR 122 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2bkd n LYS 123 N 0.31 0.00 0.27 -0.78 2.85 -1.26 -4.52 118.16 115.03 2bkd n LYS 123 Ca 0.00 0.00 0.12 0.00 -1.05 0.00 0.00 58.31 57.38 2bkd n LYS 123 Cb 0.00 0.00 0.78 0.00 -0.65 0.00 0.00 35.03 35.16 2bkd n LYS 123 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 2bkd h ASP 124 N 0.00 0.00 -0.44 -5.58 5.19 -1.81 -2.56 116.42 111.22 2bkd h ASP 124 Ca 0.00 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.38 2bkd h ASP 124 Cb 0.00 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.49 2bkd h ASP 124 CO 0.00 0.06 0.17 0.71 -3.12 0.00 0.00 179.24 177.07 2bkd h THR 125 N 0.00 1.20 -1.86 0.35 1.35 -1.79 -3.42 112.91 108.74 2bkd h THR 125 Ca -0.00 -0.63 -0.73 0.00 -0.55 0.00 0.00 66.41 64.50 2bkd h THR 125 Cb 0.15 0.79 -0.30 0.00 -1.73 0.00 0.00 68.15 67.07 2bkd h THR 125 CO 0.01 0.23 0.71 0.49 -0.25 0.00 0.00 175.52 176.71 2bkd n PHE 126 N -4.60 3.07 0.00 4.73 3.01 -0.97 -5.06 117.46 117.64 2bkd n PHE 126 Ca 0.01 -2.50 0.00 0.00 1.01 0.00 0.00 57.45 55.97 2bkd n PHE 126 Cb 0.15 -0.99 0.00 0.00 -0.01 0.00 0.00 39.48 38.63 2bkd n PHE 126 CO 0.00 0.00 0.00 0.36 1.01 0.00 0.00 176.76 178.13 2bkd n LYS 128 N -0.55 0.00 -2.99 -1.08 2.85 -1.26 -5.13 118.16 110.00 2bkd n LYS 128 Ca 0.52 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 57.37 2bkd n LYS 128 Cb 0.33 0.00 -0.04 0.00 -0.65 0.00 0.00 35.03 34.67 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 -1.36 5.00 -0.64 0.58 1.01 -1.26 -5.01 121.20 119.53 2bkd s ILE 129 Ca 0.00 1.52 -0.23 0.00 0.00 0.00 0.00 60.65 61.93 2bkd s ILE 129 Cb 0.00 -4.08 0.06 0.00 0.01 0.00 0.00 42.46 38.45 2bkd s ILE 129 CO 0.00 0.19 0.99 -0.75 0.00 0.00 0.00 174.94 175.37 2bkd s LYS 130 N 1.17 3.18 -0.28 2.79 2.20 -1.26 -4.93 119.74 122.60 2bkd s LYS 130 Ca 0.38 -0.62 -0.23 0.00 -0.36 0.00 0.00 55.97 55.15 2bkd s LYS 130 Cb -0.18 -4.17 0.12 0.00 -1.51 0.00 0.00 37.83 32.09 2bkd s LYS 130 CO 0.17 -1.76 0.96 -1.17 -0.36 0.00 0.00 175.35 173.20 2bkd s LEU 131 N 4.20 -0.53 0.00 5.43 2.96 -1.26 -5.14 118.68 124.34 2bkd s LEU 131 Ca 0.26 0.97 0.00 0.00 -0.22 0.00 0.00 54.13 55.13 2bkd s LEU 131 Cb -0.15 1.95 0.00 0.00 0.50 0.00 0.00 46.19 48.49 2bkd s LEU 131 CO 0.13 -0.16 0.00 -0.67 -1.32 0.00 0.00 176.35 174.33 2bkd n ASP 132 N 2.70 0.00 -4.46 3.68 2.03 -1.26 -4.66 116.55 114.58 2bkd n ASP 132 Ca -0.14 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 54.80 2bkd n ASP 132 Cb 0.56 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.84 2bkd n ASP 132 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2bkd s VAL 133 N 0.00 4.52 -2.00 5.18 1.01 -1.26 -5.26 120.40 122.59 2bkd s VAL 133 Ca 0.00 -0.18 0.27 0.00 0.00 0.00 0.00 61.98 62.07 2bkd s VAL 133 Cb 0.00 -3.16 0.76 0.00 0.00 0.00 0.00 36.38 33.98 2bkd s VAL 133 CO 0.00 0.27 1.95 -0.81 0.00 0.00 0.00 175.10 176.51