#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 4.26 -0.39 2.12 -1.05 -1.26 -5.00 118.70 117.38 2bkd s GLU 2 Ca 0.00 1.06 0.01 0.00 -0.15 0.00 0.00 54.97 55.89 2bkd s GLU 2 Cb 0.00 -3.61 0.14 0.00 -0.44 0.00 0.00 34.13 30.22 2bkd s GLU 2 CO 0.00 -0.44 0.23 -1.83 0.95 0.00 0.00 175.26 174.17 2bkd s GLU 3 N 2.56 0.83 -0.14 -4.83 -1.05 -1.26 -5.03 118.70 109.78 2bkd s GLU 3 Ca 0.38 -1.62 -0.02 0.00 -0.15 0.00 0.00 54.97 53.57 2bkd s GLU 3 Cb -0.16 -1.67 -0.02 0.00 -0.44 0.00 0.00 34.13 31.84 2bkd s GLU 3 CO 0.10 -1.21 -0.07 -0.51 0.95 0.00 0.00 175.26 174.52 2bkd s LEU 4 N 0.75 3.05 -0.17 1.83 2.01 -1.26 -5.05 118.68 119.83 2bkd s LEU 4 Ca 0.19 -0.20 -0.05 0.00 0.01 0.00 0.00 54.13 54.08 2bkd s LEU 4 Cb -0.22 -1.71 -0.03 0.00 0.01 0.00 0.00 46.19 44.24 2bkd s LEU 4 CO -0.01 0.17 0.00 -0.69 1.01 0.00 0.00 176.35 176.84 2bkd s VAL 5 N 0.32 4.18 0.41 -1.59 1.01 -1.26 -1.19 120.40 122.28 2bkd s VAL 5 Ca -0.06 -0.25 0.07 0.00 0.00 0.00 0.00 61.98 61.74 2bkd s VAL 5 Cb -0.15 -2.86 -0.05 0.00 0.00 0.00 0.00 36.38 33.32 2bkd s VAL 5 CO 0.04 0.47 0.17 0.68 0.00 0.00 0.00 175.10 176.46 2bkd s VAL 6 N 0.48 2.31 -0.12 2.92 -7.23 -0.51 -4.56 120.40 113.70 2bkd s VAL 6 Ca -0.01 -1.72 -0.02 0.00 -1.81 0.00 0.00 61.98 58.42 2bkd s VAL 6 Cb -0.14 -3.00 -0.03 0.00 0.56 0.00 0.00 36.38 33.78 2bkd s VAL 6 CO 0.02 -0.01 -0.03 -1.83 -0.31 0.00 0.00 175.10 172.94 2bkd s GLU 7 N -3.89 3.28 0.07 4.82 -1.05 0.08 -0.67 118.70 121.34 2bkd s GLU 7 Ca 0.41 -0.49 0.06 0.00 -0.15 0.00 0.00 54.97 54.80 2bkd s GLU 7 Cb 0.04 -2.82 -0.03 0.00 -0.44 0.00 0.00 34.13 30.89 2bkd s GLU 7 CO 0.22 0.47 -0.16 0.14 0.95 0.00 0.00 175.26 176.88 2bkd s VAL 8 N -0.26 1.27 0.28 1.83 -7.23 -0.39 -0.80 120.40 115.11 2bkd s VAL 8 Ca 0.05 -1.27 -0.10 0.00 -1.81 0.00 0.00 61.98 58.85 2bkd s VAL 8 Cb -0.13 -1.18 -0.07 0.00 0.56 0.00 0.00 36.38 35.57 2bkd s VAL 8 CO 0.02 -0.11 0.61 0.00 -0.31 0.00 0.00 175.10 175.32 2bkd s ARG 9 N -1.59 3.80 0.00 4.82 1.04 -1.20 -1.28 118.95 124.54 2bkd s ARG 9 Ca 0.01 0.32 0.00 0.00 -1.04 0.00 0.00 55.73 55.02 2bkd s ARG 9 Cb -0.09 -2.58 0.00 0.00 -2.04 0.00 0.00 34.95 30.24 2bkd s ARG 9 CO 0.02 0.23 0.00 0.41 -0.04 0.00 0.00 175.30 175.92 2bkd n GLY 10 N -0.47 -0.67 0.00 3.88 0.00 -1.03 -4.94 105.19 101.96 2bkd n GLY 10 Ca 0.01 -0.48 0.01 0.00 0.00 0.00 0.00 46.02 45.57 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 0.22 1.61 3.41 -1.26 -0.74 113.62 116.85 2bkd n SER 11 Ca 0.00 0.28 0.06 0.00 -0.26 0.00 0.00 58.87 58.95 2bkd n SER 11 Cb 0.00 -0.32 0.49 0.00 -0.26 0.00 0.00 64.21 64.12 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 0.00 4.04 -1.24 -1.96 -3.47 115.58 112.95 2bkd h ASN 12 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2bkd h ASN 12 Cb 0.03 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.08 2bkd h ASN 12 CO 0.00 0.26 0.00 0.61 -1.29 0.00 0.00 177.43 177.01 2bkd n GLY 13 N -0.62 1.14 0.00 1.57 0.00 0.08 -4.67 105.19 102.69 2bkd n GLY 13 Ca -0.02 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.93 0.00 -2.47 4.61 0.00 -1.24 -4.31 120.51 116.18 2bkd n ALA 14 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 2bkd n ALA 14 Cb 0.19 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.52 2bkd n ALA 14 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2bkd s PHE 15 N 0.36 2.01 -0.02 0.00 -0.71 -1.26 -2.47 117.98 115.90 2bkd s PHE 15 Ca 0.00 -0.41 0.05 0.00 -1.04 0.00 0.00 56.93 55.53 2bkd s PHE 15 Cb 0.00 -1.06 -0.01 0.00 -1.21 0.00 0.00 43.02 40.73 2bkd s PHE 15 CO 0.00 0.30 -0.17 1.52 -1.34 0.00 0.00 175.22 175.53 2bkd s TYR 16 N -1.35 1.57 0.23 3.49 1.13 -0.41 -4.73 117.35 117.28 2bkd s TYR 16 Ca 0.12 -0.32 -0.30 0.00 -1.41 0.00 0.00 57.07 55.17 2bkd s TYR 16 Cb -0.09 -1.02 -0.09 0.00 -1.10 0.00 0.00 41.96 39.66 2bkd s TYR 16 CO 0.06 -0.05 1.23 0.15 -2.51 0.00 0.00 175.55 174.43 2bkd s LYS 17 N -0.34 4.47 0.01 -3.49 1.02 -1.26 -1.26 119.74 118.88 2bkd s LYS 17 Ca 0.05 1.97 0.03 0.00 0.02 0.00 0.00 55.97 58.04 2bkd s LYS 17 Cb -0.07 -3.19 -0.01 0.00 -0.52 0.00 0.00 37.83 34.04 2bkd s LYS 17 CO -0.00 -0.10 -0.09 0.00 -0.92 0.00 0.00 175.35 174.24 2bkd s ALA 18 N -0.38 0.76 -0.13 5.17 0.00 0.15 -4.80 121.76 122.53 2bkd s ALA 18 Ca 0.52 -0.49 -0.00 0.00 0.00 0.00 0.00 51.96 51.99 2bkd s ALA 18 Cb -0.35 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 2bkd s ALA 18 CO 0.40 0.15 -0.12 -0.06 0.00 0.00 0.00 175.76 176.14 2bkd s PHE 19 N -0.46 2.83 0.07 0.00 0.08 -0.56 -1.42 117.98 118.53 2bkd s PHE 19 Ca 0.01 -0.59 -0.30 0.00 0.12 0.00 0.00 56.93 56.16 2bkd s PHE 19 Cb -0.05 -1.85 -0.09 0.00 -0.57 0.00 0.00 43.02 40.46 2bkd s PHE 19 CO 0.00 -0.18 1.85 0.08 -0.10 0.00 0.00 175.22 176.88 2bkd s VAL 20 N 0.31 2.85 -0.24 -0.44 1.01 -0.33 -0.32 120.40 123.24 2bkd s VAL 20 Ca -0.10 0.13 -0.14 0.00 0.00 0.00 0.00 61.98 61.87 2bkd s VAL 20 Cb -0.16 -3.08 -0.16 0.00 0.00 0.00 0.00 36.38 32.98 2bkd s VAL 20 CO 0.05 -0.01 -0.08 1.17 0.00 0.00 0.00 175.10 176.24 2bkd n LYS 21 N 6.51 0.60 -3.69 2.72 0.00 0.61 -4.68 118.16 120.24 2bkd n LYS 21 Ca 0.18 0.36 -0.15 0.00 0.00 0.00 0.00 58.31 58.70 2bkd n LYS 21 Cb 0.40 -1.60 -0.08 0.00 0.00 0.00 0.00 35.03 33.75 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 -7.13 -0.33 0.19 3.14 2.15 -0.83 -5.01 116.67 108.84 2bkd s ASP 22 Ca -0.34 0.28 0.10 0.00 0.43 0.00 0.00 52.55 53.02 2bkd s ASP 22 Cb 0.10 0.38 -0.04 0.00 -0.30 0.00 0.00 42.92 43.06 2bkd s ASP 22 CO 0.56 -0.49 -0.20 0.68 -0.17 0.00 0.00 175.17 175.54 2bkd s VAL 23 N -1.28 2.08 -0.16 1.11 -7.23 -1.26 -1.12 120.40 112.53 2bkd s VAL 23 Ca -0.13 -2.01 -0.25 0.00 -1.81 0.00 0.00 61.98 57.78 2bkd s VAL 23 Cb -0.04 -1.99 -0.22 0.00 0.56 0.00 0.00 36.38 34.69 2bkd s VAL 23 CO 0.06 -0.26 0.54 -0.33 -0.31 0.00 0.00 175.10 174.80 2bkd h GLU 25 N 3.12 0.00 -0.13 4.82 4.39 -2.05 -3.50 114.58 121.23 2bkd h GLU 25 Ca -0.43 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.27 2bkd h GLU 25 Cb 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 2bkd h GLU 25 CO 0.51 0.93 0.00 -0.40 -1.16 0.00 0.00 179.01 178.89 2bkd n ASP 26 N -4.56 2.23 -3.57 1.42 5.75 -1.26 -5.02 116.55 111.54 2bkd n ASP 26 Ca -0.16 -1.65 -0.11 0.00 -0.01 0.00 0.00 54.79 52.85 2bkd n ASP 26 Cb 0.52 -0.08 -0.03 0.00 -1.03 0.00 0.00 41.12 40.49 2bkd n ASP 26 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 2bkd s SER 27 N -0.89 -0.40 -0.08 -1.12 0.15 -1.26 -4.74 113.70 105.35 2bkd s SER 27 Ca 0.15 -0.22 0.03 0.00 0.70 0.00 0.00 55.95 56.62 2bkd s SER 27 Cb 0.09 0.57 0.01 0.00 -1.71 0.00 0.00 66.02 64.98 2bkd s SER 27 CO 0.13 -0.97 -0.17 -0.51 1.20 0.00 0.00 173.24 172.92 2bkd s ILE 28 N -3.80 1.53 -0.17 6.45 2.07 -0.68 -4.72 121.20 121.87 2bkd s ILE 28 Ca 0.04 -0.71 -0.05 0.00 -1.41 0.00 0.00 60.65 58.52 2bkd s ILE 28 Cb -0.00 -1.35 -0.03 0.00 0.13 0.00 0.00 42.46 41.20 2bkd s ILE 28 CO -0.10 0.44 -0.01 -0.89 -1.91 0.00 0.00 174.94 172.48 2bkd s THR 29 N 0.54 4.09 0.05 4.00 2.01 -0.28 -1.26 115.64 124.78 2bkd s THR 29 Ca -0.16 -0.28 -0.01 0.00 0.31 0.00 0.00 61.69 61.54 2bkd s THR 29 Cb -0.17 -2.82 -0.03 0.00 0.01 0.00 0.00 72.50 69.49 2bkd s THR 29 CO 0.06 0.47 -0.02 0.68 -0.69 0.00 0.00 174.62 175.11 2bkd s VAL 30 N 0.56 0.19 -0.12 3.82 -7.23 0.14 -0.28 120.40 117.48 2bkd s VAL 30 Ca -0.01 -1.60 -0.08 0.00 -1.81 0.00 0.00 61.98 58.48 2bkd s VAL 30 Cb -0.14 -1.26 0.04 0.00 0.56 0.00 0.00 36.38 35.58 2bkd s VAL 30 CO 0.02 -0.88 0.30 0.00 -0.31 0.00 0.00 175.10 174.23 2bkd s ALA 31 N -3.42 -0.74 0.17 1.32 0.00 0.56 -1.58 121.76 118.08 2bkd s ALA 31 Ca 0.02 1.08 -0.04 0.00 0.00 0.00 0.00 51.96 53.02 2bkd s ALA 31 Cb 0.04 -0.66 -0.05 0.00 0.00 0.00 0.00 23.12 22.45 2bkd s ALA 31 CO -0.08 -0.20 0.41 -0.06 0.00 0.00 0.00 175.76 175.83 2bkd s PHE 32 N 0.93 3.47 0.28 0.00 0.08 -1.26 -1.49 117.98 119.99 2bkd s PHE 32 Ca -0.06 0.54 -0.26 0.00 0.12 0.00 0.00 56.93 57.27 2bkd s PHE 32 Cb -0.07 -2.00 -0.16 0.00 -0.57 0.00 0.00 43.02 40.22 2bkd s PHE 32 CO -0.07 0.39 0.46 -1.91 -0.10 0.00 0.00 175.22 173.99 2bkd n GLU 33 N -0.19 0.19 0.00 0.44 2.13 -1.26 -4.71 120.64 117.24 2bkd n GLU 33 Ca -0.03 0.07 0.00 0.00 0.66 0.00 0.00 57.16 57.86 2bkd n GLU 33 Cb 0.52 -1.14 0.00 0.00 0.27 0.00 0.00 31.44 31.10 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 1.93 0.39 0.17 4.31 4.05 -1.26 -1.19 115.26 123.67 2bkd n ASN 34 Ca 0.15 -1.35 0.02 0.00 0.45 0.00 0.00 54.58 53.84 2bkd n ASN 34 Cb 0.31 -0.20 0.31 0.00 1.23 0.00 0.00 39.78 41.43 2bkd n ASN 34 CO 0.00 0.00 0.00 -1.13 -3.05 0.00 0.00 177.26 173.08 2bkd h ASN 35 N 0.19 0.00 0.00 1.20 -1.24 -2.03 -3.41 115.58 110.29 2bkd h ASN 35 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2bkd h ASN 35 Cb 0.20 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.25 2bkd h ASN 35 CO 0.00 0.44 0.00 0.79 -1.29 0.00 0.00 177.43 177.37 2bkd n TRP 36 N -4.00 0.00 -3.51 0.67 7.02 -0.33 -5.13 117.44 112.16 2bkd n TRP 36 Ca -0.02 0.00 -0.09 0.00 -1.02 0.00 0.00 57.50 56.37 2bkd n TRP 36 Cb 0.47 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.33 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 0.25 0.84 0.00 -0.99 1.03 -1.26 -5.14 119.66 114.40 2bkd s GLN 37 Ca 0.00 -0.24 0.00 0.00 0.04 0.00 0.00 55.36 55.16 2bkd s GLN 37 Cb 0.00 0.39 0.00 0.00 0.03 0.00 0.00 33.01 33.43 2bkd s GLN 37 CO 0.00 -0.35 0.30 -0.35 -2.54 0.00 0.00 175.29 172.35 2bkd n PRO 38 N -0.09 0.00 -4.94 9.60 -0.04 -1.26 -4.49 135.00 133.78 2bkd n PRO 38 Ca -0.10 0.31 -0.31 0.00 -0.04 0.00 0.00 63.50 63.37 2bkd n PRO 38 Cb 0.61 -1.00 -0.14 0.00 -0.04 0.00 0.00 33.50 32.93 2bkd n PRO 38 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2bkd s ASP 39 N -2.16 3.35 -0.03 3.54 -1.08 -1.26 -4.16 116.67 114.88 2bkd s ASP 39 Ca 0.00 -0.49 -0.07 0.00 -0.52 0.00 0.00 52.55 51.46 2bkd s ASP 39 Cb 0.00 -0.42 0.01 0.00 -1.46 0.00 0.00 42.92 41.05 2bkd s ASP 39 CO 0.00 0.28 0.16 -0.60 0.52 0.00 0.00 175.17 175.53 2bkd s ARG 40 N -1.10 0.38 -0.13 4.34 6.06 -0.61 -5.03 118.95 122.86 2bkd s ARG 40 Ca 0.12 -0.13 0.03 0.00 -2.50 0.00 0.00 55.73 53.24 2bkd s ARG 40 Cb -0.10 0.17 0.01 0.00 0.06 0.00 0.00 34.95 35.08 2bkd s ARG 40 CO 0.02 -0.08 -0.22 -1.14 -2.50 0.00 0.00 175.30 171.38 2bkd s GLN 41 N -0.79 3.01 0.01 5.12 0.74 -1.26 -0.68 119.66 125.81 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 -2.41 -0.02 0.00 1.10 0.00 0.00 33.01 31.63 2bkd s GLN 41 CO 0.01 0.01 -0.22 0.42 -0.55 0.00 0.00 175.29 174.97 2bkd s ILE 42 N 0.76 1.71 0.85 -2.34 1.01 -0.39 -4.98 121.20 117.83 2bkd s ILE 42 Ca -0.09 -1.04 -0.10 0.00 0.00 0.00 0.00 60.65 59.42 2bkd s ILE 42 Cb -0.16 -1.45 0.10 0.00 0.01 0.00 0.00 42.46 40.97 2bkd s ILE 42 CO -0.01 0.38 1.12 -2.84 0.00 0.00 0.00 174.94 173.59 2bkd s PRO 43 N -0.78 1.59 0.00 2.79 0.02 -1.26 -1.69 135.00 135.66 2bkd s PRO 43 Ca 0.08 1.33 -0.00 0.00 0.02 0.00 0.00 61.00 62.43 2bkd s PRO 43 Cb -0.09 -1.81 -0.01 0.00 0.02 0.00 0.00 34.50 32.62 2bkd s PRO 43 CO 0.00 -2.16 0.42 1.19 -0.33 0.00 0.00 177.00 176.13 2bkd n PHE 44 N -3.89 0.00 0.00 6.54 3.72 -1.26 -3.99 117.46 118.58 2bkd n PHE 44 Ca 0.10 -0.06 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 2bkd n PHE 44 Cb 0.53 -0.38 0.00 0.00 -0.94 0.00 0.00 39.48 38.69 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 2.60 0.00 -4.82 4.37 8.00 -1.26 -4.21 116.55 121.23 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 5.29 -0.02 2.53 1.01 -1.26 -3.26 120.40 124.70 2bkd s VAL 47 Ca 0.00 0.50 0.02 0.00 0.00 0.00 0.00 61.98 62.51 2bkd s VAL 47 Cb 0.00 -3.57 -0.00 0.00 0.00 0.00 0.00 36.38 32.81 2bkd s VAL 47 CO 0.00 0.54 -0.08 -0.60 0.00 0.00 0.00 175.10 174.96 2bkd s ARG 48 N -0.61 0.81 -0.12 2.72 3.00 0.02 -3.21 118.95 121.57 2bkd s ARG 48 Ca 0.18 -0.29 -0.14 0.00 -1.00 0.00 0.00 55.73 54.48 2bkd s ARG 48 Cb -0.14 -0.77 -0.05 0.00 0.00 0.00 0.00 34.95 33.99 2bkd s ARG 48 CO 0.07 0.14 0.32 0.12 0.00 0.00 0.00 175.30 175.95 2bkd s PHE 49 N 0.03 3.54 0.48 5.12 5.36 -1.26 -0.74 117.98 130.51 2bkd s PHE 49 Ca -0.00 0.71 -0.20 0.00 -0.96 0.00 0.00 56.93 56.47 2bkd s PHE 49 Cb -0.06 -2.31 -0.09 0.00 -0.34 0.00 0.00 43.02 40.22 2bkd s PHE 49 CO 0.00 0.37 1.02 -1.25 -1.46 0.00 0.00 175.22 173.90 2bkd s PRO 50 N -0.01 3.86 0.71 10.12 0.04 -1.26 -4.90 135.00 143.55 2bkd s PRO 50 Ca 0.19 1.28 -0.12 0.00 0.04 0.00 0.00 61.00 62.39 2bkd s PRO 50 Cb -0.14 -2.11 0.02 0.00 0.04 0.00 0.00 34.50 32.31 2bkd s PRO 50 CO 0.07 -0.37 1.08 -1.25 0.04 0.00 0.00 177.00 176.57 2bkd s PRO 51 N -3.32 2.66 0.84 0.56 0.04 -1.26 -5.06 135.00 129.47 2bkd s PRO 51 Ca 0.66 1.18 -0.14 0.00 0.04 0.00 0.00 61.00 62.73 2bkd s PRO 51 Cb -0.15 -1.95 0.20 0.00 0.04 0.00 0.00 34.50 32.65 2bkd s PRO 51 CO 0.20 -1.33 1.03 -0.35 0.04 0.00 0.00 177.00 176.59 2bkd n PRO 52 N -3.00 -1.46 -2.70 0.56 -0.04 -1.26 -5.06 135.00 122.04 2bkd n PRO 52 Ca 0.09 -1.61 -0.29 0.00 -0.04 0.00 0.00 63.50 61.65 2bkd n PRO 52 Cb 0.53 -1.16 -0.02 0.00 -0.04 0.00 0.00 33.50 32.81 2bkd n PRO 52 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2bkd s VAL 53 N -3.18 4.81 0.00 0.52 0.11 -1.26 -4.20 120.40 117.20 2bkd s VAL 53 Ca 0.60 0.53 0.00 0.00 -2.93 0.00 0.00 61.98 60.18 2bkd s VAL 53 Cb -0.03 -3.78 0.00 0.00 -1.53 0.00 0.00 36.38 31.04 2bkd s VAL 53 CO 0.43 -0.67 0.00 0.61 -3.33 0.00 0.00 175.10 172.14 2bkd n GLY 54 N -1.70 0.72 3.58 6.54 0.00 -1.26 -5.02 105.19 108.06 2bkd n GLY 54 Ca 0.02 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 2bkd n GLY 54 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2bkd s TYR 55 N -2.00 2.85 -0.19 1.61 1.51 -1.26 -4.87 117.35 115.00 2bkd s TYR 55 Ca 0.00 0.54 -0.15 0.00 -1.01 0.00 0.00 57.07 56.45 2bkd s TYR 55 Cb 0.00 -4.24 -0.08 0.00 -0.11 0.00 0.00 41.96 37.53 2bkd s TYR 55 CO 0.00 -1.22 -0.26 -1.71 -1.11 0.00 0.00 175.55 171.26 2bkd n ASN 56 N 7.58 1.90 -0.72 2.29 5.15 -1.26 -4.80 115.26 125.41 2bkd n ASN 56 Ca 0.09 0.42 0.00 0.00 -0.60 0.00 0.00 54.58 54.49 2bkd n ASN 56 Cb 0.49 -0.81 0.00 0.00 -0.53 0.00 0.00 39.78 38.93 2bkd n ASN 56 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2bkd n LYS 57 N -4.46 0.00 -3.98 1.20 4.76 -1.26 -4.51 118.16 109.91 2bkd n LYS 57 Ca -0.21 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 54.92 2bkd n LYS 57 Cb 0.54 0.00 -0.15 0.00 -1.84 0.00 0.00 35.03 33.58 2bkd n LYS 57 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2bkd s ASP 58 N -4.00 4.63 0.18 4.39 2.15 -1.26 -5.06 116.67 117.70 2bkd s ASP 58 Ca 0.00 -2.28 -0.30 0.00 0.43 0.00 0.00 52.55 50.40 2bkd s ASP 58 Cb 0.00 -1.57 -0.08 0.00 -0.30 0.00 0.00 42.92 40.97 2bkd s ASP 58 CO 0.00 -0.35 1.02 -0.51 -0.17 0.00 0.00 175.17 175.15 2bkd s ILE 59 N 0.73 4.07 -0.45 4.11 2.07 -1.26 -4.88 121.20 125.59 2bkd s ILE 59 Ca 0.12 1.86 0.04 0.00 -1.41 0.00 0.00 60.65 61.26 2bkd s ILE 59 Cb -0.20 -4.19 0.66 0.00 0.13 0.00 0.00 42.46 38.86 2bkd s ILE 59 CO -0.08 0.36 1.91 0.59 -1.91 0.00 0.00 174.94 175.81 2bkd n ASN 60 N 2.14 3.82 0.00 4.50 4.13 -1.26 -4.99 115.26 123.61 2bkd n ASN 60 Ca 0.01 -3.62 0.00 0.00 1.68 0.00 0.00 54.58 52.65 2bkd n ASN 60 Cb 0.47 -0.84 0.00 0.00 -1.54 0.00 0.00 39.78 37.87 2bkd n ASN 60 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 2bkd n GLU 61 N -1.14 0.00 -3.13 3.52 -0.58 -1.26 -4.46 120.64 113.59 2bkd n GLU 61 Ca 0.59 0.00 -0.44 0.00 -0.42 0.00 0.00 57.16 56.89 2bkd n GLU 61 Cb 1.62 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 32.50 2bkd n GLU 61 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 2bkd n SER 62 N 4.09 5.51 0.00 1.62 7.64 -1.26 -4.82 113.62 126.41 2bkd n SER 62 Ca 0.00 -3.07 0.00 0.00 1.01 0.00 0.00 58.87 56.81 2bkd n SER 62 Cb 0.00 -1.43 0.00 0.00 -1.01 0.00 0.00 64.21 61.77 2bkd n SER 62 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2bkd n ASP 63 N 3.45 0.62 -4.52 6.43 2.03 -0.70 -4.85 116.55 119.02 2bkd n ASP 63 Ca 0.29 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 55.27 2bkd n ASP 63 Cb 0.39 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.67 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 4.77 2.50 0.22 -0.67 2.02 -1.26 -2.24 118.70 124.04 2bkd s GLU 64 Ca 0.00 -0.71 0.02 0.00 0.02 0.00 0.00 54.97 54.29 2bkd s GLU 64 Cb 0.00 -2.41 -0.05 0.00 0.10 0.00 0.00 34.13 31.77 2bkd s GLU 64 CO 0.00 0.62 0.05 0.14 0.02 0.00 0.00 175.26 176.09 2bkd s VAL 65 N -0.83 0.64 -0.06 2.63 -7.23 -0.58 -4.12 120.40 110.86 2bkd s VAL 65 Ca 0.13 -1.99 -0.01 0.00 -1.81 0.00 0.00 61.98 58.29 2bkd s VAL 65 Cb -0.11 -2.41 -0.03 0.00 0.56 0.00 0.00 36.38 34.39 2bkd s VAL 65 CO 0.03 -0.21 0.02 -1.61 -0.31 0.00 0.00 175.10 173.01 2bkd s GLU 66 N -3.97 2.97 -0.26 4.82 2.02 0.19 -0.93 118.70 123.55 2bkd s GLU 66 Ca 0.32 -0.44 -0.09 0.00 0.02 0.00 0.00 54.97 54.78 2bkd s GLU 66 Cb 0.07 -2.79 -0.04 0.00 0.10 0.00 0.00 34.13 31.47 2bkd s GLU 66 CO 0.09 0.69 0.12 0.14 0.02 0.00 0.00 175.26 176.32 2bkd s VAL 67 N -0.96 4.74 -0.42 2.63 -7.23 0.57 -0.53 120.40 119.20 2bkd s VAL 67 Ca 0.16 -0.02 -0.25 0.00 -1.81 0.00 0.00 61.98 60.05 2bkd s VAL 67 Cb -0.11 -3.23 0.02 0.00 0.56 0.00 0.00 36.38 33.61 2bkd s VAL 67 CO 0.05 0.31 0.92 -0.47 -0.31 0.00 0.00 175.10 175.60 2bkd s TYR 68 N 1.61 2.99 0.12 2.82 5.04 -1.22 -1.62 117.35 127.08 2bkd s TYR 68 Ca 0.06 0.54 0.06 0.00 -2.44 0.00 0.00 57.07 55.29 2bkd s TYR 68 Cb -0.15 -3.83 -0.04 0.00 0.35 0.00 0.00 41.96 38.29 2bkd s TYR 68 CO 0.06 -0.98 -0.15 -1.12 -1.34 0.00 0.00 175.55 172.02 2bkd s SER 69 N 2.11 2.05 0.42 4.32 0.01 -1.26 -4.95 113.70 116.40 2bkd s SER 69 Ca 0.37 -0.77 -0.24 0.00 1.31 0.00 0.00 55.95 56.62 2bkd s SER 69 Cb -0.11 -0.08 -0.08 0.00 0.21 0.00 0.00 66.02 65.96 2bkd s SER 69 CO 0.23 -0.11 1.16 0.00 0.41 0.00 0.00 173.24 174.94 2bkd s ARG 70 N -2.46 3.94 0.17 12.44 3.03 -1.26 -1.41 118.95 133.40 2bkd s ARG 70 Ca 0.07 1.79 -0.24 0.00 2.03 0.00 0.00 55.73 59.39 2bkd s ARG 70 Cb -0.06 -2.56 0.07 0.00 -1.03 0.00 0.00 34.95 31.37 2bkd s ARG 70 CO 0.03 -0.40 1.58 0.00 -1.13 0.00 0.00 175.30 175.38 2bkd h ALA 71 N 2.39 -0.21 -3.00 7.88 0.00 -0.79 -3.38 119.26 122.15 2bkd h ALA 71 Ca -0.49 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2bkd h ALA 71 Cb 1.24 0.86 0.00 0.00 0.00 0.00 0.00 17.79 19.88 2bkd h ALA 71 CO 0.62 -0.76 0.00 0.27 0.00 0.00 0.00 179.25 179.37 2bkd n ASN 72 N -5.42 0.00 0.00 0.00 0.23 -1.25 -4.87 115.26 103.96 2bkd n ASN 72 Ca 0.02 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.07 2bkd n ASN 72 Cb 0.35 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.05 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 2.58 0.13 -3.83 0.28 -1.26 -4.96 120.64 113.58 2bkd n GLU 73 Ca 0.00 -0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2bkd n GLU 73 Cb 0.00 -0.19 0.00 0.00 1.43 0.00 0.00 31.44 32.68 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 -0.37 0.00 -1.70 3.44 4.81 -1.26 -5.06 118.16 118.03 2bkd n LYS 74 Ca 0.00 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.01 2bkd n LYS 74 Cb 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 2bkd n LYS 74 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2bkd n GLU 75 N -3.28 2.59 -1.42 1.64 4.07 -1.26 -4.89 120.64 118.09 2bkd n GLU 75 Ca 0.00 0.93 -0.30 0.00 -0.06 0.00 0.00 57.16 57.74 2bkd n GLU 75 Cb 0.00 -2.77 0.20 0.00 -0.06 0.00 0.00 31.44 28.82 2bkd n GLU 75 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 2bkd s PRO 76 N 1.46 -0.22 0.00 5.31 0.04 -1.26 -0.39 135.00 139.93 2bkd s PRO 76 Ca 0.78 -0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.72 2bkd s PRO 76 Cb -0.56 -1.72 0.00 0.00 0.04 0.00 0.00 34.50 32.27 2bkd s PRO 76 CO 0.35 -3.04 0.00 0.00 0.04 0.00 0.00 177.00 174.35 2bkd n TRP 79 N 0.00 0.00 -4.36 0.00 7.02 -1.24 -4.59 117.44 114.27 2bkd n TRP 79 Ca 0.00 0.00 -0.19 0.00 -1.02 0.00 0.00 57.50 56.29 2bkd n TRP 79 Cb 0.00 -1.05 -0.09 0.00 -2.42 0.00 0.00 31.31 27.74 2bkd n TRP 79 CO 0.00 0.00 0.00 -1.58 -2.02 0.00 0.00 177.69 174.09 2bkd s TRP 80 N 0.00 1.63 -0.13 -5.99 0.51 -0.64 -4.38 118.94 109.94 2bkd s TRP 80 Ca 0.00 -1.28 -0.05 0.00 -2.12 0.00 0.00 56.10 52.65 2bkd s TRP 80 Cb 0.00 -0.93 -0.04 0.00 -0.81 0.00 0.00 33.47 31.69 2bkd s TRP 80 CO 0.00 -0.40 0.07 -0.48 -0.51 0.00 0.00 176.95 175.62 2bkd s LEU 81 N -3.39 3.94 0.04 2.99 0.05 -1.26 -0.31 118.68 120.74 2bkd s LEU 81 Ca 0.35 0.24 -0.01 0.00 0.05 0.00 0.00 54.13 54.77 2bkd s LEU 81 Cb 0.06 -1.95 -0.03 0.00 -2.05 0.00 0.00 46.19 42.21 2bkd s LEU 81 CO 0.16 0.33 -0.03 0.00 -0.55 0.00 0.00 176.35 176.26 2bkd s ALA 82 N -0.58 0.39 -0.25 1.48 0.00 -0.10 -3.04 121.76 119.65 2bkd s ALA 82 Ca 0.11 -1.01 -0.06 0.00 0.00 0.00 0.00 51.96 51.00 2bkd s ALA 82 Cb -0.12 0.23 -0.01 0.00 0.00 0.00 0.00 23.12 23.22 2bkd s ALA 82 CO 0.02 -0.30 0.03 0.15 0.00 0.00 0.00 175.76 175.66 2bkd s LYS 83 N -3.13 3.37 -0.26 0.00 3.01 -0.14 -1.52 119.74 121.06 2bkd s LYS 83 Ca -0.00 -0.65 -0.09 0.00 -1.01 0.00 0.00 55.97 54.22 2bkd s LYS 83 Cb 0.02 -3.21 -0.04 0.00 -1.01 0.00 0.00 37.83 33.60 2bkd s LYS 83 CO -0.07 -0.27 0.11 0.08 0.51 0.00 0.00 175.35 175.71 2bkd s VAL 84 N 1.52 4.68 -0.16 3.17 1.01 -0.95 -1.70 120.40 127.98 2bkd s VAL 84 Ca 0.05 -0.05 -0.05 0.00 0.00 0.00 0.00 61.98 61.93 2bkd s VAL 84 Cb -0.15 -3.20 -0.08 0.00 0.00 0.00 0.00 36.38 32.95 2bkd s VAL 84 CO 0.00 0.31 -0.18 -2.11 0.00 0.00 0.00 175.10 173.13 2bkd n ARG 85 N 4.90 0.35 -3.29 2.72 1.85 -1.26 -1.71 116.66 120.22 2bkd n ARG 85 Ca -0.15 0.13 -0.41 0.00 -1.00 0.00 0.00 57.85 56.41 2bkd n ARG 85 Cb 0.52 -1.14 -0.08 0.00 -1.05 0.00 0.00 32.46 30.70 2bkd n ARG 85 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2bkd s MET 86 N -2.29 3.68 -0.21 2.89 0.23 -1.26 -4.48 119.30 117.86 2bkd s MET 86 Ca -0.21 -0.15 -0.08 0.00 -1.03 0.00 0.00 55.69 54.22 2bkd s MET 86 Cb 0.07 -3.78 -0.04 0.00 -1.53 0.00 0.00 34.83 29.55 2bkd s MET 86 CO 0.30 -0.56 0.07 0.42 -2.03 0.00 0.00 175.02 173.22 2bkd s ILE 87 N 2.28 4.68 -0.77 3.16 1.01 -1.26 -1.79 121.20 128.51 2bkd s ILE 87 Ca 0.17 -0.06 -0.08 0.00 0.00 0.00 0.00 60.65 60.68 2bkd s ILE 87 Cb -0.16 -3.14 0.20 0.00 0.01 0.00 0.00 42.46 39.37 2bkd s ILE 87 CO 0.12 0.41 0.66 -0.75 0.00 0.00 0.00 174.94 175.37 2bkd s LYS 88 N 0.86 3.19 2.79 2.79 2.20 0.87 -4.95 119.74 127.49 2bkd s LYS 88 Ca 0.04 -2.62 0.00 0.00 -0.36 0.00 0.00 55.97 53.03 2bkd s LYS 88 Cb -0.14 -4.10 0.00 0.00 -1.51 0.00 0.00 37.83 32.08 2bkd s LYS 88 CO 0.02 -1.24 0.00 0.41 -0.36 0.00 0.00 175.35 174.19 2bkd n GLY 89 N 3.52 0.22 0.10 5.54 0.00 -1.26 -0.90 105.19 112.42 2bkd n GLY 89 Ca 0.13 0.69 -0.12 0.00 0.00 0.00 0.00 46.02 46.72 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 0.67 -3.32 1.61 4.71 -1.26 -4.99 120.64 118.06 2bkd n GLU 90 Ca 0.00 0.17 -0.33 0.00 -0.01 0.00 0.00 57.16 56.99 2bkd n GLU 90 Cb 0.00 -1.65 -0.06 0.00 -1.01 0.00 0.00 31.44 28.72 2bkd n GLU 90 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 2bkd s PHE 91 N -2.54 3.44 -0.14 -0.32 0.08 -0.08 -4.54 117.98 113.87 2bkd s PHE 91 Ca -0.13 1.01 -0.01 0.00 0.12 0.00 0.00 56.93 57.92 2bkd s PHE 91 Cb 0.07 -2.36 -0.02 0.00 -0.57 0.00 0.00 43.02 40.14 2bkd s PHE 91 CO 0.79 0.24 -0.10 0.71 -0.10 0.00 0.00 175.22 176.76 2bkd s TYR 92 N -1.82 2.88 -0.17 0.36 1.51 0.78 -0.09 117.35 120.80 2bkd s TYR 92 Ca 0.48 -0.60 -0.08 0.00 -1.01 0.00 0.00 57.07 55.86 2bkd s TYR 92 Cb -0.11 -1.90 -0.04 0.00 -0.11 0.00 0.00 41.96 39.80 2bkd s TYR 92 CO 0.20 -0.21 0.10 0.08 -1.11 0.00 0.00 175.55 174.61 2bkd s VAL 93 N 0.47 5.17 0.02 0.71 1.01 -0.74 -1.61 120.40 125.43 2bkd s VAL 93 Ca -0.08 0.10 0.08 0.00 0.00 0.00 0.00 61.98 62.08 2bkd s VAL 93 Cb -0.15 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 2bkd s VAL 93 CO 0.04 0.50 -0.23 -0.63 0.00 0.00 0.00 175.10 174.77 2bkd s ILE 94 N -0.01 1.88 -0.07 2.22 1.09 -0.11 -4.55 121.20 121.65 2bkd s ILE 94 Ca 0.08 -1.20 0.05 0.00 -1.10 0.00 0.00 60.65 58.49 2bkd s ILE 94 Cb -0.12 -1.60 -0.01 0.00 -1.06 0.00 0.00 42.46 39.67 2bkd s ILE 94 CO 0.00 0.36 -0.23 -0.70 -0.10 0.00 0.00 174.94 174.27 2bkd s GLU 95 N -1.00 2.75 -0.04 2.79 2.12 -0.69 -1.50 118.70 123.14 2bkd s GLU 95 Ca 0.09 -0.87 -0.08 0.00 0.36 0.00 0.00 54.97 54.47 2bkd s GLU 95 Cb -0.09 -2.25 -0.05 0.00 0.26 0.00 0.00 34.13 32.01 2bkd s GLU 95 CO 0.01 0.32 0.24 0.71 -0.54 0.00 0.00 175.26 176.00 2bkd s TYR 96 N -0.01 3.61 -0.12 5.30 1.51 -1.12 -0.97 117.35 125.54 2bkd s TYR 96 Ca -0.08 0.61 -0.18 0.00 -1.01 0.00 0.00 57.07 56.42 2bkd s TYR 96 Cb -0.15 -2.01 -0.04 0.00 -0.11 0.00 0.00 41.96 39.65 2bkd s TYR 96 CO 0.05 0.67 0.45 0.00 -1.11 0.00 0.00 175.55 175.61 2bkd s ALA 97 N -1.16 3.49 0.00 3.71 0.00 -1.17 -4.82 121.76 121.81 2bkd s ALA 97 Ca 0.22 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 51.96 2bkd s ALA 97 Cb -0.13 -2.61 0.00 0.00 0.00 0.00 0.00 23.12 20.37 2bkd s ALA 97 CO 0.11 0.01 0.00 0.00 0.00 0.00 0.00 175.76 175.88 2bkd n ALA 98 N 3.66 0.00 -1.78 0.00 0.00 -1.26 -4.80 120.51 116.33 2bkd n ALA 98 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.04 2bkd n ALA 98 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.95 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 -1.69 -1.97 -0.13 0.00 -0.08 -1.26 -4.65 116.55 106.77 2bkd n ASP 100 Ca 0.07 0.00 0.01 0.00 -1.51 0.00 0.00 54.79 53.37 2bkd n ASP 100 Cb 0.54 0.00 0.02 0.00 2.34 0.00 0.00 41.12 44.01 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 0.75 1.62 -2.71 -1.67 0.00 -1.26 -5.05 120.51 112.19 2bkd n ALA 101 Ca 0.00 -1.01 -0.43 0.00 0.00 0.00 0.00 53.44 52.00 2bkd n ALA 101 Cb 0.00 -0.17 -0.05 0.00 0.00 0.00 0.00 19.45 19.23 2bkd n ALA 101 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2bkd s THR 102 N -0.60 4.58 0.11 0.00 2.01 -1.26 -5.03 115.64 115.45 2bkd s THR 102 Ca 0.04 -0.06 0.10 0.00 0.31 0.00 0.00 61.69 62.07 2bkd s THR 102 Cb 0.04 -4.45 -0.04 0.00 0.01 0.00 0.00 72.50 68.05 2bkd s THR 102 CO 0.00 -1.01 -0.22 -0.72 -0.69 0.00 0.00 174.62 171.98 2bkd s TYR 103 N 3.44 2.43 -1.05 4.92 -0.85 -1.26 -2.80 117.35 122.19 2bkd s TYR 103 Ca 0.24 -0.32 -0.08 0.00 -0.52 0.00 0.00 57.07 56.39 2bkd s TYR 103 Cb -0.15 -1.32 -0.06 0.00 0.38 0.00 0.00 41.96 40.81 2bkd s TYR 103 CO 0.16 0.35 0.89 -1.71 -1.52 0.00 0.00 175.55 173.71 2bkd n ASN 104 N 0.93 -6.51 -4.33 -0.18 2.85 -0.98 -4.99 115.26 102.05 2bkd n ASN 104 Ca -0.17 -0.72 -0.34 0.00 -0.11 0.00 0.00 54.58 53.24 2bkd n ASN 104 Cb 0.53 -4.92 -0.14 0.00 1.24 0.00 0.00 39.78 36.49 2bkd n ASN 104 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 2bkd s GLU 105 N -4.57 3.36 -0.26 1.20 2.56 -0.56 -4.88 118.70 115.55 2bkd s GLU 105 Ca 0.44 -0.67 -0.13 0.00 0.00 0.00 0.00 54.97 54.60 2bkd s GLU 105 Cb -0.07 -2.75 -0.04 0.00 2.00 0.00 0.00 34.13 33.26 2bkd s GLU 105 CO 0.76 0.05 0.30 0.96 -0.56 0.00 0.00 175.26 176.77 2bkd s ILE 106 N 0.77 5.24 0.23 -3.70 -4.36 -1.26 -0.93 121.20 117.19 2bkd s ILE 106 Ca -0.04 0.43 -0.04 0.00 -0.26 0.00 0.00 60.65 60.74 2bkd s ILE 106 Cb -0.15 -3.63 -0.03 0.00 1.25 0.00 0.00 42.46 39.90 2bkd s ILE 106 CO 0.01 0.23 0.26 0.68 0.24 0.00 0.00 174.94 176.36 2bkd s VAL 107 N 1.70 0.00 0.41 8.37 -7.23 -0.64 -5.00 120.40 118.01 2bkd s VAL 107 Ca 0.13 -1.80 0.07 0.00 -1.81 0.00 0.00 61.98 58.57 2bkd s VAL 107 Cb -0.15 -2.41 0.01 0.00 0.56 0.00 0.00 36.38 34.38 2bkd s VAL 107 CO 0.09 0.00 0.56 0.28 -0.31 0.00 0.00 175.10 175.72 2bkd s THR 108 N -4.04 3.23 -0.32 5.32 -1.32 -1.26 -0.15 115.64 117.10 2bkd s THR 108 Ca 0.33 -0.98 -0.04 0.00 -1.21 0.00 0.00 61.69 59.80 2bkd s THR 108 Cb 0.04 -3.10 -0.11 0.00 -1.51 0.00 0.00 72.50 67.83 2bkd s THR 108 CO 0.12 -0.04 2.10 0.00 -2.21 0.00 0.00 174.62 174.59 2bkd n ILE 109 N -1.83 1.83 -0.01 5.08 0.13 -1.26 -2.59 119.36 120.70 2bkd n ILE 109 Ca 0.06 -0.99 -0.02 0.00 -1.10 0.00 0.00 62.75 60.70 2bkd n ILE 109 Cb 0.59 -1.88 -0.02 0.00 -0.84 0.00 0.00 39.64 37.48 2bkd n ILE 109 CO 0.00 0.00 0.00 -1.84 2.80 0.00 0.00 176.55 177.51 2bkd n GLU 110 N 3.30 3.17 0.21 9.51 -0.00 -1.26 -4.83 120.64 130.74 2bkd n GLU 110 Ca 0.29 0.00 0.11 0.00 -0.00 0.00 0.00 57.16 57.57 2bkd n GLU 110 Cb 0.35 -1.07 0.15 0.00 -0.00 0.00 0.00 31.44 30.86 2bkd n GLU 110 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 2bkd h ARG 111 N 0.00 0.00 -6.19 3.44 1.12 -1.91 -3.46 114.38 107.38 2bkd h ARG 111 Ca -0.08 0.00 -0.48 0.00 -1.11 0.00 0.00 59.98 58.31 2bkd h ARG 111 Cb 1.17 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 31.11 2bkd h ARG 111 CO 0.00 0.05 -0.47 -0.51 -3.11 0.00 0.00 179.97 175.93 2bkd s LEU 112 N -6.20 4.12 0.23 3.80 1.43 -1.26 -3.43 118.68 117.37 2bkd s LEU 112 Ca 0.06 -0.06 0.09 0.00 -1.03 0.00 0.00 54.13 53.20 2bkd s LEU 112 Cb 0.05 -2.66 -0.05 0.00 0.03 0.00 0.00 46.19 43.57 2bkd s LEU 112 CO 0.68 -0.06 -0.17 -0.13 0.23 0.00 0.00 176.35 176.91 2bkd s ARG 113 N -3.93 1.46 0.65 1.70 1.81 0.31 -4.92 118.95 116.02 2bkd s ARG 113 Ca 0.34 -1.65 -0.04 0.00 -1.72 0.00 0.00 55.73 52.65 2bkd s ARG 113 Cb -0.09 -1.37 0.05 0.00 -0.45 0.00 0.00 34.95 33.10 2bkd s ARG 113 CO 0.27 0.24 0.93 0.45 -0.68 0.00 0.00 175.30 176.51 2bkd s SER 114 N -3.37 5.01 -0.20 0.23 0.15 -1.26 -0.64 113.70 113.62 2bkd s SER 114 Ca 0.25 0.30 -0.29 0.00 0.70 0.00 0.00 55.95 56.91 2bkd s SER 114 Cb -0.02 -1.05 0.00 0.00 -1.71 0.00 0.00 66.02 63.24 2bkd s SER 114 CO 0.10 -1.42 1.10 0.54 1.20 0.00 0.00 173.24 174.77 2bkd s VAL 115 N -3.07 4.56 -0.01 4.45 0.11 -1.26 -4.41 120.40 120.77 2bkd s VAL 115 Ca 0.59 1.88 -0.22 0.00 -2.93 0.00 0.00 61.98 61.29 2bkd s VAL 115 Cb -0.11 -4.21 -0.05 0.00 -1.53 0.00 0.00 36.38 30.48 2bkd s VAL 115 CO 0.42 -0.15 0.67 0.20 -3.33 0.00 0.00 175.10 172.92 2bkd s ASN 116 N 1.42 7.03 -0.10 3.54 0.01 -1.26 -4.89 114.94 120.69 2bkd s ASN 116 Ca 0.48 1.23 0.06 0.00 -0.71 0.00 0.00 52.86 53.92 2bkd s ASN 116 Cb -0.17 -2.40 0.33 0.00 0.41 0.00 0.00 41.25 39.41 2bkd s ASN 116 CO 0.10 0.01 1.01 -0.81 -1.51 0.00 0.00 177.10 175.90 2bkd n PRO 117 N 3.09 2.56 -2.78 -0.60 -0.04 -1.26 -4.95 135.00 131.02 2bkd n PRO 117 Ca -0.04 -1.28 -0.32 0.00 -0.04 0.00 0.00 63.50 61.83 2bkd n PRO 117 Cb 0.51 -1.81 -0.05 0.00 -0.04 0.00 0.00 33.50 32.12 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 -0.30 6.69 0.33 3.54 4.22 -1.26 -5.08 114.94 123.08 2bkd s ASN 118 Ca 0.22 1.40 -0.05 0.00 -2.14 0.00 0.00 52.86 52.29 2bkd s ASN 118 Cb 0.17 -2.43 -0.05 0.00 1.28 0.00 0.00 41.25 40.22 2bkd s ASN 118 CO 0.06 -0.40 0.60 -0.54 -2.04 0.00 0.00 177.10 174.78 2bkd s LYS 119 N -3.59 3.61 0.36 3.55 -0.14 -1.26 -5.07 119.74 117.21 2bkd s LYS 119 Ca 0.56 0.02 -0.06 0.00 -1.36 0.00 0.00 55.97 55.13 2bkd s LYS 119 Cb -0.10 -2.59 0.09 0.00 -1.68 0.00 0.00 37.83 33.54 2bkd s LYS 119 CO 0.25 0.13 0.45 -0.35 -0.76 0.00 0.00 175.35 175.07 2bkd n PRO 120 N -1.26 -0.73 -1.93 -1.68 -0.04 -1.26 -4.71 135.00 123.38 2bkd n PRO 120 Ca -0.02 -0.70 -0.42 0.00 -0.04 0.00 0.00 63.50 62.32 2bkd n PRO 120 Cb 0.54 -0.50 -0.03 0.00 -0.04 0.00 0.00 33.50 33.47 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 -3.78 3.73 0.00 0.55 0.00 -1.20 -4.84 121.76 116.23 2bkd s ALA 121 Ca 0.26 1.29 0.00 0.00 0.00 0.00 0.00 51.96 53.52 2bkd s ALA 121 Cb -0.01 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.45 2bkd s ALA 121 CO 0.19 -0.93 0.00 -2.37 0.00 0.00 0.00 175.76 172.65 2bkd n THR 122 N 4.33 0.00 0.28 0.00 5.66 -1.26 -4.84 114.28 118.44 2bkd n THR 122 Ca 0.15 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.98 2bkd n THR 122 Cb 0.39 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.09 2bkd n THR 122 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 2bkd h LYS 123 N 0.00 -0.63 0.00 1.09 1.63 -2.00 -3.32 116.57 113.34 2bkd h LYS 123 Ca 0.00 0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.84 2bkd h LYS 123 Cb 0.00 0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 31.77 2bkd h LYS 123 CO 0.00 -0.42 -0.04 -0.44 -3.45 0.00 0.00 179.45 175.10 2bkd h ASP 124 N -0.66 0.00 -0.12 4.20 5.19 -1.96 -2.09 116.42 120.98 2bkd h ASP 124 Ca -0.07 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.21 2bkd h ASP 124 Cb 0.50 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.02 2bkd h ASP 124 CO 0.11 0.04 -0.45 0.71 -3.12 0.00 0.00 179.24 176.52 2bkd h THR 125 N 0.00 1.36 -1.87 0.35 1.35 -1.89 -3.46 112.91 108.75 2bkd h THR 125 Ca -0.00 -1.76 -0.73 0.00 -0.55 0.00 0.00 66.41 63.37 2bkd h THR 125 Cb 0.07 2.12 -0.26 0.00 -1.73 0.00 0.00 68.15 68.35 2bkd h THR 125 CO 0.00 0.53 0.98 0.49 -0.25 0.00 0.00 175.52 177.27 2bkd n PHE 126 N -4.26 2.78 0.00 4.73 3.72 -0.79 -5.05 117.46 118.59 2bkd n PHE 126 Ca -0.07 -2.27 0.00 0.00 -0.05 0.00 0.00 57.45 55.05 2bkd n PHE 126 Cb 0.57 -1.22 0.00 0.00 -0.94 0.00 0.00 39.48 37.89 2bkd n PHE 126 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 2bkd n LYS 128 N -0.33 0.00 -4.20 -1.08 4.81 -1.26 -5.11 118.16 110.98 2bkd n LYS 128 Ca 0.53 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.62 2bkd n LYS 128 Cb 0.28 0.00 -0.09 0.00 0.02 0.00 0.00 35.03 35.23 2bkd n LYS 128 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2bkd s ILE 129 N 0.00 4.58 -0.41 3.15 1.01 -1.26 -5.08 121.20 123.19 2bkd s ILE 129 Ca 0.00 -0.13 -0.07 0.00 0.00 0.00 0.00 60.65 60.45 2bkd s ILE 129 Cb 0.00 -2.99 0.08 0.00 0.01 0.00 0.00 42.46 39.57 2bkd s ILE 129 CO 0.00 0.56 0.23 -0.54 0.00 0.00 0.00 174.94 175.19 2bkd s LYS 130 N -0.43 2.48 -0.29 2.79 -0.14 -1.26 -5.03 119.74 117.86 2bkd s LYS 130 Ca 0.09 -1.53 -0.07 0.00 -1.36 0.00 0.00 55.97 53.10 2bkd s LYS 130 Cb -0.12 -3.71 0.14 0.00 -1.68 0.00 0.00 37.83 32.46 2bkd s LYS 130 CO 0.02 -0.96 0.60 -1.17 -0.76 0.00 0.00 175.35 173.08 2bkd s LEU 131 N 1.36 -1.13 -0.38 3.17 0.20 -1.26 -5.06 118.68 115.58 2bkd s LEU 131 Ca 0.03 1.30 0.12 0.00 0.69 0.00 0.00 54.13 56.27 2bkd s LEU 131 Cb -0.23 2.12 0.36 0.00 -0.43 0.00 0.00 46.19 48.01 2bkd s LEU 131 CO 0.01 -0.23 0.77 -0.67 -0.29 0.00 0.00 176.35 175.93 2bkd n ASP 132 N 5.44 1.23 -3.66 3.68 -0.08 -1.26 -5.06 116.55 116.83 2bkd n ASP 132 Ca -0.09 -3.05 -0.13 0.00 -1.51 0.00 0.00 54.79 50.02 2bkd n ASP 132 Cb 0.50 -0.61 -0.08 0.00 2.34 0.00 0.00 41.12 43.27 2bkd n ASP 132 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 2bkd s VAL 133 N -2.69 -0.00 -2.00 5.18 0.11 -1.26 -5.38 120.40 114.36 2bkd s VAL 133 Ca 0.40 0.00 0.18 0.00 -2.93 0.00 0.00 61.98 59.63 2bkd s VAL 133 Cb 0.35 -0.90 0.52 0.00 -1.53 0.00 0.00 36.38 34.83 2bkd s VAL 133 CO -0.08 0.00 1.49 -2.65 -3.33 0.00 0.00 175.10 170.53