#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 -2.09 -3.10 0.03 1.02 -1.26 -4.96 120.64 110.29 2bkd n GLU 2 Ca 0.00 1.90 -0.45 0.00 -0.02 0.00 0.00 57.16 58.59 2bkd n GLU 2 Cb 0.00 -4.67 -0.02 0.00 -0.02 0.00 0.00 31.44 26.73 2bkd n GLU 2 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 2bkd s GLU 3 N -2.00 3.63 -0.13 3.49 -6.30 -1.26 -4.87 118.70 111.25 2bkd s GLU 3 Ca 0.14 -2.10 -0.02 0.00 -2.50 0.00 0.00 54.97 50.50 2bkd s GLU 3 Cb -0.04 -4.72 -0.02 0.00 0.00 0.00 0.00 34.13 29.35 2bkd s GLU 3 CO 0.60 -1.57 -0.08 -0.51 0.02 0.00 0.00 175.26 173.73 2bkd s LEU 4 N 1.55 3.03 -0.20 2.70 2.01 -1.26 -5.06 118.68 121.45 2bkd s LEU 4 Ca 0.27 -0.19 -0.13 0.00 0.01 0.00 0.00 54.13 54.08 2bkd s LEU 4 Cb -0.07 -1.70 -0.05 0.00 0.01 0.00 0.00 46.19 44.38 2bkd s LEU 4 CO -0.09 0.19 0.28 0.54 1.01 0.00 0.00 176.35 178.28 2bkd s VAL 5 N 0.22 5.30 0.37 -1.59 0.11 -1.26 -0.95 120.40 122.58 2bkd s VAL 5 Ca -0.05 0.47 0.08 0.00 -2.93 0.00 0.00 61.98 59.55 2bkd s VAL 5 Cb -0.14 -3.61 -0.06 0.00 -1.53 0.00 0.00 36.38 31.04 2bkd s VAL 5 CO 0.04 0.34 0.05 0.54 -3.33 0.00 0.00 175.10 172.73 2bkd s VAL 6 N 0.91 2.45 -0.20 2.04 0.11 -0.24 -4.55 120.40 120.92 2bkd s VAL 6 Ca 0.14 -1.92 -0.04 0.00 -2.93 0.00 0.00 61.98 57.24 2bkd s VAL 6 Cb -0.13 -2.87 -0.02 0.00 -1.53 0.00 0.00 36.38 31.83 2bkd s VAL 6 CO 0.05 -0.12 -0.04 -1.61 -3.33 0.00 0.00 175.10 170.05 2bkd s GLU 7 N -3.76 3.49 0.21 1.54 2.02 -0.71 -1.01 118.70 120.48 2bkd s GLU 7 Ca 0.36 -0.59 0.09 0.00 0.02 0.00 0.00 54.97 54.86 2bkd s GLU 7 Cb 0.02 -2.98 -0.04 0.00 0.10 0.00 0.00 34.13 31.23 2bkd s GLU 7 CO 0.20 -0.03 -0.06 0.14 0.02 0.00 0.00 175.26 175.53 2bkd s VAL 8 N 1.07 3.33 0.25 2.63 -7.23 -0.72 -1.45 120.40 118.27 2bkd s VAL 8 Ca 0.01 -1.73 0.10 0.00 -1.81 0.00 0.00 61.98 58.55 2bkd s VAL 8 Cb -0.15 -2.70 -0.05 0.00 0.56 0.00 0.00 36.38 34.05 2bkd s VAL 8 CO 0.00 -0.21 -0.18 0.00 -0.31 0.00 0.00 175.10 174.41 2bkd s ARG 9 N -3.14 1.54 0.00 4.82 3.03 -1.26 -1.39 118.95 122.55 2bkd s ARG 9 Ca 0.28 -1.70 0.00 0.00 2.03 0.00 0.00 55.73 56.33 2bkd s ARG 9 Cb -0.08 -1.51 0.00 0.00 -1.03 0.00 0.00 34.95 32.33 2bkd s ARG 9 CO 0.17 0.27 0.00 0.41 -1.13 0.00 0.00 175.30 175.02 2bkd n GLY 10 N -0.53 -0.61 2.54 3.88 0.00 -1.25 -5.00 105.19 104.22 2bkd n GLY 10 Ca -0.06 -0.63 -0.40 0.00 0.00 0.00 0.00 46.02 44.92 2bkd n GLY 10 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2bkd n SER 11 N 0.00 7.28 0.04 1.61 7.64 -1.26 -3.80 113.62 125.13 2bkd n SER 11 Ca 0.00 -2.97 -0.01 0.00 1.01 0.00 0.00 58.87 56.90 2bkd n SER 11 Cb 0.00 -1.46 -0.00 0.00 -1.01 0.00 0.00 64.21 61.74 2bkd n SER 11 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2bkd n ASN 12 N 2.97 1.17 0.00 6.43 5.15 -1.26 -5.11 115.26 124.61 2bkd n ASN 12 Ca 0.61 0.15 0.00 0.00 -0.60 0.00 0.00 54.58 54.74 2bkd n ASN 12 Cb 0.28 -0.37 0.00 0.00 -0.53 0.00 0.00 39.78 39.16 2bkd n ASN 12 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2bkd n GLY 13 N 3.34 -1.76 0.00 8.20 0.00 -1.25 -5.15 105.19 108.58 2bkd n GLY 13 Ca -0.01 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.64 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 -1.91 0.00 -2.65 4.61 0.00 -1.26 -4.87 120.51 114.44 2bkd n ALA 14 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 2bkd n ALA 14 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 2bkd n ALA 14 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2bkd s PHE 15 N 3.86 3.33 -0.04 0.00 0.08 -1.26 -3.95 117.98 120.00 2bkd s PHE 15 Ca 0.00 0.62 0.05 0.00 0.12 0.00 0.00 56.93 57.72 2bkd s PHE 15 Cb 0.00 -2.60 -0.01 0.00 -0.57 0.00 0.00 43.02 39.84 2bkd s PHE 15 CO 0.00 -0.12 -0.20 1.52 -0.10 0.00 0.00 175.22 176.33 2bkd s TYR 16 N 1.70 1.89 0.24 0.36 1.13 -0.49 -4.91 117.35 117.26 2bkd s TYR 16 Ca 0.20 -0.50 -0.30 0.00 -1.41 0.00 0.00 57.07 55.06 2bkd s TYR 16 Cb -0.15 -1.25 -0.09 0.00 -1.10 0.00 0.00 41.96 39.37 2bkd s TYR 16 CO 0.09 -0.14 1.02 0.15 -2.51 0.00 0.00 175.55 174.15 2bkd s LYS 17 N -0.13 4.74 0.03 -3.49 1.02 -1.26 -1.75 119.74 118.89 2bkd s LYS 17 Ca -0.01 1.63 0.01 0.00 0.02 0.00 0.00 55.97 57.62 2bkd s LYS 17 Cb -0.11 -3.25 -0.02 0.00 -0.52 0.00 0.00 37.83 33.93 2bkd s LYS 17 CO 0.02 0.34 -0.05 0.00 -0.92 0.00 0.00 175.35 174.74 2bkd s ALA 18 N -1.00 0.28 -0.18 5.17 0.00 -0.18 -4.89 121.76 120.96 2bkd s ALA 18 Ca 0.44 -0.59 -0.03 0.00 0.00 0.00 0.00 51.96 51.78 2bkd s ALA 18 Cb -0.28 0.09 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 2bkd s ALA 18 CO 0.36 -0.09 -0.07 -0.06 0.00 0.00 0.00 175.76 175.90 2bkd s PHE 19 N -1.26 2.92 -0.10 0.00 0.08 -0.11 -1.08 117.98 118.43 2bkd s PHE 19 Ca -0.12 -0.78 -0.30 0.00 0.12 0.00 0.00 56.93 55.85 2bkd s PHE 19 Cb -0.09 -2.00 -0.03 0.00 -0.57 0.00 0.00 43.02 40.33 2bkd s PHE 19 CO -0.00 -0.39 1.33 0.08 -0.10 0.00 0.00 175.22 176.14 2bkd s VAL 20 N 0.99 4.08 -0.25 -0.44 1.01 -0.13 -0.77 120.40 124.89 2bkd s VAL 20 Ca -0.00 1.35 -0.02 0.00 0.00 0.00 0.00 61.98 63.31 2bkd s VAL 20 Cb -0.15 -3.87 -0.15 0.00 0.00 0.00 0.00 36.38 32.21 2bkd s VAL 20 CO -0.00 -0.08 -0.24 1.17 0.00 0.00 0.00 175.10 175.95 2bkd n LYS 21 N 6.23 0.59 -3.70 2.72 4.81 0.15 -4.25 118.16 124.70 2bkd n LYS 21 Ca 0.14 0.16 -0.14 0.00 -0.87 0.00 0.00 58.31 57.60 2bkd n LYS 21 Cb 0.45 -1.47 -0.09 0.00 0.02 0.00 0.00 35.03 33.93 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 -6.59 -0.44 0.21 3.14 2.15 -0.90 -5.01 116.67 109.22 2bkd s ASP 22 Ca -0.34 0.73 0.09 0.00 0.43 0.00 0.00 52.55 53.46 2bkd s ASP 22 Cb 0.10 0.77 -0.05 0.00 -0.30 0.00 0.00 42.92 43.44 2bkd s ASP 22 CO 0.54 -0.27 -0.18 0.68 -0.17 0.00 0.00 175.17 175.77 2bkd s VAL 23 N -0.26 1.97 -0.16 1.11 -7.23 -1.26 -0.58 120.40 114.00 2bkd s VAL 23 Ca -0.04 -2.15 -0.25 0.00 -1.81 0.00 0.00 61.98 57.72 2bkd s VAL 23 Cb -0.03 -2.04 -0.23 0.00 0.56 0.00 0.00 36.38 34.64 2bkd s VAL 23 CO 0.02 -0.43 0.56 -0.08 -0.31 0.00 0.00 175.10 174.87 2bkd h GLU 25 N 2.75 0.00 0.05 4.82 4.22 -2.04 -3.50 114.58 120.88 2bkd h GLU 25 Ca -0.40 0.00 -0.36 0.00 0.08 0.00 0.00 59.36 58.68 2bkd h GLU 25 Cb 1.22 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.43 2bkd h GLU 25 CO 0.57 0.94 -2.11 -0.40 -2.18 0.00 0.00 179.01 175.83 2bkd n ASP 26 N -4.57 1.50 -4.17 1.04 5.75 -1.26 -5.03 116.55 109.80 2bkd n ASP 26 Ca -0.16 0.14 -0.11 0.00 -0.01 0.00 0.00 54.79 54.66 2bkd n ASP 26 Cb 0.51 -0.30 -0.10 0.00 -1.03 0.00 0.00 41.12 40.20 2bkd n ASP 26 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2bkd s SER 27 N -6.47 1.05 -0.06 -1.12 0.01 -1.26 -3.67 113.70 102.17 2bkd s SER 27 Ca -0.20 -1.05 0.06 0.00 1.31 0.00 0.00 55.95 56.08 2bkd s SER 27 Cb 0.07 0.12 -0.01 0.00 0.21 0.00 0.00 66.02 66.41 2bkd s SER 27 CO 0.75 -0.51 -0.25 -0.51 0.41 0.00 0.00 173.24 173.13 2bkd s ILE 28 N -3.68 2.01 -0.17 1.44 2.07 0.48 -4.64 121.20 118.71 2bkd s ILE 28 Ca 0.14 -1.04 -0.01 0.00 -1.41 0.00 0.00 60.65 58.33 2bkd s ILE 28 Cb 0.06 -1.70 -0.01 0.00 0.13 0.00 0.00 42.46 40.94 2bkd s ILE 28 CO -0.03 0.56 -0.11 -0.89 -1.91 0.00 0.00 174.94 172.56 2bkd s THR 29 N -0.15 2.98 0.09 4.00 2.01 0.25 -0.95 115.64 123.86 2bkd s THR 29 Ca -0.04 -0.65 -0.02 0.00 0.31 0.00 0.00 61.69 61.29 2bkd s THR 29 Cb -0.14 -2.29 -0.04 0.00 0.01 0.00 0.00 72.50 70.05 2bkd s THR 29 CO 0.04 0.49 0.02 0.68 -0.69 0.00 0.00 174.62 175.16 2bkd s VAL 30 N 0.93 0.17 0.01 3.82 -7.23 -0.27 -0.68 120.40 117.15 2bkd s VAL 30 Ca -0.02 -1.81 -0.01 0.00 -1.81 0.00 0.00 61.98 58.32 2bkd s VAL 30 Cb -0.15 -1.72 -0.01 0.00 0.56 0.00 0.00 36.38 35.06 2bkd s VAL 30 CO -0.01 -0.76 0.01 0.00 -0.31 0.00 0.00 175.10 174.03 2bkd s ALA 31 N -3.97 0.00 0.09 1.32 0.00 0.05 -1.24 121.76 118.01 2bkd s ALA 31 Ca 0.14 -0.28 0.07 0.00 0.00 0.00 0.00 51.96 51.89 2bkd s ALA 31 Cb 0.08 0.07 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 2bkd s ALA 31 CO -0.05 -0.11 -0.13 -0.06 0.00 0.00 0.00 175.76 175.41 2bkd s PHE 32 N -0.87 2.67 -1.49 0.00 0.08 -1.03 -0.93 117.98 116.41 2bkd s PHE 32 Ca -0.10 -0.19 -0.08 0.00 0.12 0.00 0.00 56.93 56.68 2bkd s PHE 32 Cb -0.06 -1.43 -0.00 0.00 -0.57 0.00 0.00 43.02 40.96 2bkd s PHE 32 CO -0.00 0.39 2.73 -1.91 -0.10 0.00 0.00 175.22 176.32 2bkd n GLU 33 N 0.91 4.08 0.00 0.44 4.07 -1.26 -4.31 120.64 124.57 2bkd n GLU 33 Ca -0.15 -2.73 0.00 0.00 -0.06 0.00 0.00 57.16 54.23 2bkd n GLU 33 Cb 0.52 -2.72 0.00 0.00 -0.06 0.00 0.00 31.44 29.18 2bkd n GLU 33 CO 0.00 0.00 0.00 -1.71 -0.06 0.00 0.00 177.13 175.36 2bkd n ASN 34 N 2.79 0.00 -0.28 4.31 5.15 -0.99 -4.72 115.26 121.51 2bkd n ASN 34 Ca 0.72 0.00 -0.02 0.00 -0.60 0.00 0.00 54.58 54.68 2bkd n ASN 34 Cb 0.24 -0.43 0.10 0.00 -0.53 0.00 0.00 39.78 39.16 2bkd n ASN 34 CO 0.00 0.00 0.00 -1.13 1.40 0.00 0.00 177.26 177.53 2bkd h ASN 35 N 0.00 0.81 0.00 1.20 -0.73 -1.99 -3.41 115.58 111.46 2bkd h ASN 35 Ca 0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 2bkd h ASN 35 Cb 0.00 -0.17 0.00 0.00 0.27 0.00 0.00 38.32 38.42 2bkd h ASN 35 CO 0.00 0.55 -0.45 -2.67 -0.37 0.00 0.00 177.43 174.49 2bkd n TRP 36 N -4.61 -0.28 -4.29 0.67 4.27 -1.26 -5.08 117.44 106.85 2bkd n TRP 36 Ca 0.10 0.05 -0.23 0.00 -3.89 0.00 0.00 57.50 53.52 2bkd n TRP 36 Cb 0.10 0.19 -0.12 0.00 -1.36 0.00 0.00 31.31 30.12 2bkd n TRP 36 CO 0.00 0.00 0.00 -0.65 -2.29 0.00 0.00 177.69 174.75 2bkd s GLN 37 N -2.00 1.15 -0.02 -2.67 -1.52 -1.26 -5.03 119.66 108.31 2bkd s GLN 37 Ca 0.00 -1.22 0.07 0.00 -1.95 0.00 0.00 55.36 52.26 2bkd s GLN 37 Cb 0.00 -1.35 -0.24 0.00 -0.22 0.00 0.00 33.01 31.21 2bkd s GLN 37 CO 0.00 0.30 0.76 -1.00 -0.25 0.00 0.00 175.29 175.10 2bkd h PRO 38 N 3.85 0.08 -3.29 2.91 0.13 -1.87 -2.64 132.00 131.17 2bkd h PRO 38 Ca -0.45 -0.13 -0.17 0.00 -0.87 0.00 0.00 66.00 64.39 2bkd h PRO 38 Cb 1.19 0.05 -0.25 0.00 0.13 0.00 0.00 31.00 32.12 2bkd h PRO 38 CO 0.43 0.77 -0.47 0.34 -0.23 0.00 0.00 178.00 178.83 2bkd s ASP 39 N -6.46 -0.16 0.05 1.44 2.15 -1.26 -2.45 116.67 109.98 2bkd s ASP 39 Ca -0.07 0.26 -0.09 0.00 0.43 0.00 0.00 52.55 53.08 2bkd s ASP 39 Cb 0.08 0.36 0.00 0.00 -0.30 0.00 0.00 42.92 43.06 2bkd s ASP 39 CO 0.82 -0.15 0.19 -0.60 -0.17 0.00 0.00 175.17 175.26 2bkd s ARG 40 N -0.28 0.70 -0.12 4.34 6.06 -0.38 -4.88 118.95 124.39 2bkd s ARG 40 Ca -0.04 -0.68 0.03 0.00 -2.50 0.00 0.00 55.73 52.54 2bkd s ARG 40 Cb -0.03 0.29 0.01 0.00 0.06 0.00 0.00 34.95 35.28 2bkd s ARG 40 CO 0.01 -0.20 -0.20 -1.14 -2.50 0.00 0.00 175.30 171.26 2bkd s GLN 41 N -2.72 2.79 0.03 5.12 0.74 -1.26 -1.11 119.66 123.25 2bkd s GLN 41 Ca -0.04 -0.77 0.08 0.00 0.05 0.00 0.00 55.36 54.67 2bkd s GLN 41 Cb -0.00 -2.24 -0.02 0.00 1.10 0.00 0.00 33.01 31.84 2bkd s GLN 41 CO -0.05 0.01 -0.22 0.42 -0.55 0.00 0.00 175.29 174.90 2bkd s ILE 42 N 0.76 1.78 0.64 -2.34 1.01 -0.13 -4.98 121.20 117.95 2bkd s ILE 42 Ca -0.09 -1.19 -0.17 0.00 0.00 0.00 0.00 60.65 59.19 2bkd s ILE 42 Cb -0.16 -1.53 -0.01 0.00 0.01 0.00 0.00 42.46 40.77 2bkd s ILE 42 CO 0.00 0.29 1.22 -2.16 0.00 0.00 0.00 174.94 174.30 2bkd s PRO 43 N -1.07 2.66 0.00 2.79 0.04 -1.26 -0.38 135.00 137.77 2bkd s PRO 43 Ca 0.09 1.85 0.00 0.00 0.04 0.00 0.00 61.00 62.97 2bkd s PRO 43 Cb -0.09 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.56 2bkd s PRO 43 CO 0.01 -1.46 0.00 1.19 0.04 0.00 0.00 177.00 176.79 2bkd n PHE 44 N -1.98 0.00 0.00 0.56 3.72 -1.24 -3.73 117.46 114.79 2bkd n PHE 44 Ca 0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.54 2bkd n PHE 44 Cb 0.49 -0.19 0.00 0.00 -0.94 0.00 0.00 39.48 38.84 2bkd n PHE 44 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2bkd n ASP 46 N 1.63 0.00 -4.86 4.37 9.92 -1.26 -4.63 116.55 121.71 2bkd n ASP 46 Ca 0.00 0.00 -0.36 0.00 -0.53 0.00 0.00 54.79 53.90 2bkd n ASP 46 Cb 0.00 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.42 2bkd n ASP 46 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 2bkd s VAL 47 N 0.00 5.21 -0.05 2.53 1.01 -1.24 -4.15 120.40 123.70 2bkd s VAL 47 Ca 0.00 0.47 0.04 0.00 0.00 0.00 0.00 61.98 62.49 2bkd s VAL 47 Cb 0.00 -3.60 -0.00 0.00 0.00 0.00 0.00 36.38 32.78 2bkd s VAL 47 CO 0.00 0.48 -0.17 -0.13 0.00 0.00 0.00 175.10 175.28 2bkd s ARG 48 N -1.40 1.82 -0.14 2.72 3.00 -0.53 -4.80 118.95 119.63 2bkd s ARG 48 Ca 0.25 -0.60 -0.26 0.00 0.00 0.00 0.00 55.73 55.12 2bkd s ARG 48 Cb -0.14 -1.56 -0.02 0.00 0.00 0.00 0.00 34.95 33.23 2bkd s ARG 48 CO 0.13 0.22 0.83 -0.06 0.00 0.00 0.00 175.30 176.42 2bkd s PHE 49 N 0.12 3.47 0.43 -0.53 0.08 -1.26 -1.73 117.98 118.54 2bkd s PHE 49 Ca -0.06 1.31 0.17 0.00 0.12 0.00 0.00 56.93 58.47 2bkd s PHE 49 Cb -0.12 -3.00 1.07 0.00 -0.57 0.00 0.00 43.02 40.40 2bkd s PHE 49 CO 0.03 -0.17 1.98 -1.00 -0.10 0.00 0.00 175.22 175.96 2bkd h PRO 50 N 7.19 0.00 -6.55 0.24 0.13 -1.90 -3.42 132.00 127.69 2bkd h PRO 50 Ca -0.32 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.28 2bkd h PRO 50 Cb 1.15 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.30 2bkd h PRO 50 CO 0.82 0.20 0.68 -2.14 -0.23 0.00 0.00 178.00 177.33 2bkd s PRO 51 N -4.45 4.35 0.73 1.56 0.02 -1.26 -5.02 135.00 130.93 2bkd s PRO 51 Ca -0.03 2.00 -0.12 0.00 0.02 0.00 0.00 61.00 62.87 2bkd s PRO 51 Cb 0.15 -3.26 0.03 0.00 0.02 0.00 0.00 34.50 31.44 2bkd s PRO 51 CO 0.67 -0.37 1.09 -1.25 -0.33 0.00 0.00 177.00 176.81 2bkd s PRO 52 N 0.94 2.53 -0.85 5.54 0.04 -1.26 -4.83 135.00 137.11 2bkd s PRO 52 Ca 0.62 1.17 -0.05 0.00 0.04 0.00 0.00 61.00 62.79 2bkd s PRO 52 Cb -0.35 -1.93 0.06 0.00 0.04 0.00 0.00 34.50 32.32 2bkd s PRO 52 CO 0.31 -1.43 2.66 1.55 0.04 0.00 0.00 177.00 180.13 2bkd n VAL 53 N -3.17 4.19 0.09 -0.36 3.14 -1.26 -4.20 118.33 116.77 2bkd n VAL 53 Ca 0.09 -3.48 0.02 0.00 -2.96 0.00 0.00 64.34 58.01 2bkd n VAL 53 Cb 0.53 -1.87 -0.03 0.00 -1.06 0.00 0.00 33.84 31.41 2bkd n VAL 53 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2bkd n GLY 54 N 1.44 0.09 0.01 7.55 0.00 -1.26 -4.81 105.19 108.21 2bkd n GLY 54 Ca 0.56 -0.13 -0.00 0.00 0.00 0.00 0.00 46.02 46.44 2bkd n GLY 54 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2bkd h TYR 55 N 0.00 0.00 0.00 1.61 0.05 -1.87 -3.42 116.97 113.34 2bkd h TYR 55 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2bkd h TYR 55 Cb 0.18 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.92 2bkd h TYR 55 CO 0.00 0.00 0.00 -1.71 -1.05 0.00 0.00 178.16 175.40 2bkd n ASN 56 N -2.51 0.00 0.00 3.88 2.85 -1.26 -4.63 115.26 113.59 2bkd n ASN 56 Ca -0.01 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.46 2bkd n ASN 56 Cb 0.02 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.04 2bkd n ASN 56 CO 0.00 0.00 0.00 2.29 -2.11 0.00 0.00 177.26 177.44 2bkd n LYS 57 N 0.00 0.00 -1.19 1.20 2.85 -1.26 -4.88 118.16 114.88 2bkd n LYS 57 Ca 0.00 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 56.97 2bkd n LYS 57 Cb 0.00 0.00 0.17 0.00 -0.65 0.00 0.00 35.03 34.55 2bkd n LYS 57 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2bkd s ASP 58 N 1.36 2.86 0.41 -5.58 2.15 -1.26 -4.96 116.67 111.65 2bkd s ASP 58 Ca 0.00 1.26 -0.27 0.00 0.43 0.00 0.00 52.55 53.97 2bkd s ASP 58 Cb 0.00 -1.93 -0.09 0.00 -0.30 0.00 0.00 42.92 40.60 2bkd s ASP 58 CO 0.00 -2.99 1.44 -0.51 -0.17 0.00 0.00 175.17 172.94 2bkd s ILE 59 N -2.96 2.11 -0.56 4.11 2.07 -1.26 -4.94 121.20 119.77 2bkd s ILE 59 Ca 0.65 0.10 0.07 0.00 -1.41 0.00 0.00 60.65 60.06 2bkd s ILE 59 Cb -0.18 -3.06 0.20 0.00 0.13 0.00 0.00 42.46 39.54 2bkd s ILE 59 CO 0.57 0.02 1.16 0.59 -1.91 0.00 0.00 174.94 175.38 2bkd n ASN 60 N 0.13 2.61 -2.11 4.50 3.02 -1.26 -5.03 115.26 117.11 2bkd n ASN 60 Ca 0.03 -2.04 -0.01 0.00 -0.03 0.00 0.00 54.58 52.53 2bkd n ASN 60 Cb 0.41 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.42 2bkd n ASN 60 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2bkd n GLU 61 N 0.09 -1.63 -1.98 3.52 1.02 -1.26 -4.67 120.64 115.72 2bkd n GLU 61 Ca 0.08 1.57 0.00 0.00 -0.02 0.00 0.00 57.16 58.79 2bkd n GLU 61 Cb 0.38 -3.22 0.00 0.00 -0.02 0.00 0.00 31.44 28.57 2bkd n GLU 61 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2bkd n SER 62 N 0.22 -1.85 0.00 1.62 3.41 -1.26 -5.08 113.62 110.67 2bkd n SER 62 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 2bkd n SER 62 Cb 0.04 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 2bkd n SER 62 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2bkd n ASP 63 N -0.27 0.00 -4.41 4.04 5.75 -1.26 -4.82 116.55 115.58 2bkd n ASP 63 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 54.79 54.47 2bkd n ASP 63 Cb 0.46 0.00 -0.14 0.00 -1.03 0.00 0.00 41.12 40.41 2bkd n ASP 63 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2bkd s GLU 64 N 4.73 2.11 0.19 0.11 2.02 -1.26 -0.82 118.70 125.78 2bkd s GLU 64 Ca 0.00 -0.94 -0.02 0.00 0.02 0.00 0.00 54.97 54.03 2bkd s GLU 64 Cb 0.00 -2.15 -0.04 0.00 0.10 0.00 0.00 34.13 32.04 2bkd s GLU 64 CO 0.00 0.56 0.15 0.14 0.02 0.00 0.00 175.26 176.12 2bkd s VAL 65 N -0.79 0.01 -0.13 2.63 -7.23 0.06 -4.80 120.40 110.14 2bkd s VAL 65 Ca 0.12 -1.94 -0.03 0.00 -1.81 0.00 0.00 61.98 58.32 2bkd s VAL 65 Cb -0.10 -2.42 -0.03 0.00 0.56 0.00 0.00 36.38 34.39 2bkd s VAL 65 CO 0.02 -0.06 -0.04 -1.61 -0.31 0.00 0.00 175.10 173.11 2bkd s GLU 66 N -4.14 3.44 -0.17 4.82 0.41 0.13 -0.32 118.70 122.87 2bkd s GLU 66 Ca 0.36 -0.51 -0.06 0.00 -0.41 0.00 0.00 54.97 54.36 2bkd s GLU 66 Cb 0.07 -2.85 -0.03 0.00 -1.78 0.00 0.00 34.13 29.54 2bkd s GLU 66 CO 0.10 0.37 0.01 0.14 -0.49 0.00 0.00 175.26 175.40 2bkd s VAL 67 N 0.01 4.32 -0.02 2.63 -7.23 0.33 -0.54 120.40 119.91 2bkd s VAL 67 Ca 0.01 -0.20 -0.23 0.00 -1.81 0.00 0.00 61.98 59.74 2bkd s VAL 67 Cb -0.13 -2.93 -0.05 0.00 0.56 0.00 0.00 36.38 33.83 2bkd s VAL 67 CO 0.03 0.47 0.70 -0.72 -0.31 0.00 0.00 175.10 175.26 2bkd s TYR 68 N 0.42 3.65 0.11 2.82 -0.85 -0.67 -0.55 117.35 122.28 2bkd s TYR 68 Ca -0.00 1.30 0.07 0.00 -0.52 0.00 0.00 57.07 57.92 2bkd s TYR 68 Cb -0.13 -2.77 -0.04 0.00 0.38 0.00 0.00 41.96 39.40 2bkd s TYR 68 CO 0.02 0.20 -0.16 -1.12 -1.52 0.00 0.00 175.55 172.96 2bkd s SER 69 N 0.33 2.15 0.26 -0.18 0.01 -1.26 -4.96 113.70 110.05 2bkd s SER 69 Ca 0.36 -0.74 -0.28 0.00 1.31 0.00 0.00 55.95 56.60 2bkd s SER 69 Cb -0.19 -0.09 -0.09 0.00 0.21 0.00 0.00 66.02 65.86 2bkd s SER 69 CO 0.19 -0.06 0.91 0.00 0.41 0.00 0.00 173.24 174.69 2bkd s ARG 70 N -2.28 4.71 0.01 12.44 3.03 -1.26 -4.08 118.95 131.52 2bkd s ARG 70 Ca 0.07 1.37 -0.25 0.00 2.03 0.00 0.00 55.73 58.95 2bkd s ARG 70 Cb -0.07 -3.10 -0.18 0.00 -1.03 0.00 0.00 34.95 30.56 2bkd s ARG 70 CO 0.04 0.44 1.41 0.00 -1.13 0.00 0.00 175.30 176.06 2bkd h ALA 71 N 3.81 -0.03 -2.32 7.88 0.00 -1.31 -3.44 119.26 123.84 2bkd h ALA 71 Ca -0.46 -0.16 -0.44 0.00 0.00 0.00 0.00 54.91 53.85 2bkd h ALA 71 Cb 1.20 0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.85 2bkd h ALA 71 CO 0.67 -0.36 -0.74 -0.80 0.00 0.00 0.00 179.25 178.02 2bkd s ASN 72 N -5.49 2.43 0.00 0.00 0.01 -1.26 -5.02 114.94 105.61 2bkd s ASN 72 Ca -0.15 -0.99 0.00 0.00 -0.71 0.00 0.00 52.86 51.01 2bkd s ASN 72 Cb 0.03 -0.12 0.00 0.00 0.41 0.00 0.00 41.25 41.57 2bkd s ASN 72 CO 0.66 -0.18 0.00 -0.62 -1.51 0.00 0.00 177.10 175.45 2bkd n GLU 73 N -0.24 0.00 -0.19 -0.60 -0.58 -1.26 -0.83 120.64 116.93 2bkd n GLU 73 Ca -0.09 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.65 2bkd n GLU 73 Cb 0.60 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.47 2bkd n GLU 73 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 2bkd n LYS 74 N 0.00 0.00 -2.75 3.49 2.85 -1.26 -4.95 118.16 115.54 2bkd n LYS 74 Ca 0.00 -0.09 -0.28 0.00 -1.05 0.00 0.00 58.31 56.88 2bkd n LYS 74 Cb 0.00 -0.07 -0.01 0.00 -0.65 0.00 0.00 35.03 34.30 2bkd n LYS 74 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2bkd s GLU 75 N 0.00 3.63 0.00 -1.58 8.01 -0.01 -5.00 118.70 123.75 2bkd s GLU 75 Ca 0.00 0.29 0.00 0.00 0.01 0.00 0.00 54.97 55.27 2bkd s GLU 75 Cb 0.00 -2.39 0.00 0.00 -4.31 0.00 0.00 34.13 27.43 2bkd s GLU 75 CO 0.00 -0.12 0.00 -0.35 0.01 0.00 0.00 175.26 174.80 2bkd n PRO 76 N -1.85 0.00 0.00 0.39 -0.04 -1.26 -2.90 135.00 129.34 2bkd n PRO 76 Ca 0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 2bkd n PRO 76 Cb 0.55 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.01 2bkd n PRO 76 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bkd s TRP 79 N -2.84 -0.26 0.19 0.00 0.51 -1.26 -4.08 118.94 111.21 2bkd s TRP 79 Ca 0.54 0.24 -0.15 0.00 -2.12 0.00 0.00 56.10 54.62 2bkd s TRP 79 Cb -0.10 0.51 0.01 0.00 -0.81 0.00 0.00 33.47 33.08 2bkd s TRP 79 CO 0.41 -0.37 0.46 -1.58 -0.51 0.00 0.00 176.95 175.36 2bkd s TRP 80 N -2.40 0.08 -0.03 -1.98 0.51 0.29 -4.86 118.94 110.55 2bkd s TRP 80 Ca 0.05 -0.43 -0.22 0.00 -2.12 0.00 0.00 56.10 53.38 2bkd s TRP 80 Cb -0.01 0.25 -0.05 0.00 -0.81 0.00 0.00 33.47 32.86 2bkd s TRP 80 CO -0.05 -0.88 0.64 -0.48 -0.51 0.00 0.00 176.95 175.66 2bkd s LEU 81 N -2.92 4.38 0.09 2.99 0.05 -1.26 -0.51 118.68 121.49 2bkd s LEU 81 Ca 0.13 1.17 0.03 0.00 0.05 0.00 0.00 54.13 55.51 2bkd s LEU 81 Cb 0.00 -2.99 -0.03 0.00 -2.05 0.00 0.00 46.19 41.12 2bkd s LEU 81 CO -0.00 0.01 -0.09 0.00 -0.55 0.00 0.00 176.35 175.72 2bkd s ALA 82 N 0.22 0.96 -0.08 1.48 0.00 0.56 -2.82 121.76 122.08 2bkd s ALA 82 Ca 0.33 -1.14 0.04 0.00 0.00 0.00 0.00 51.96 51.20 2bkd s ALA 82 Cb -0.18 0.06 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 2bkd s ALA 82 CO 0.18 -0.08 -0.21 0.15 0.00 0.00 0.00 175.76 175.79 2bkd s LYS 83 N -2.78 2.78 -0.22 0.00 3.01 0.10 -0.76 119.74 121.86 2bkd s LYS 83 Ca 0.04 -0.83 -0.10 0.00 -1.01 0.00 0.00 55.97 54.06 2bkd s LYS 83 Cb -0.02 -2.30 -0.05 0.00 -1.01 0.00 0.00 37.83 34.44 2bkd s LYS 83 CO -0.01 0.35 0.15 0.08 0.51 0.00 0.00 175.35 176.43 2bkd s VAL 84 N -0.07 5.38 -0.15 3.17 1.01 -0.00 -0.54 120.40 129.19 2bkd s VAL 84 Ca -0.05 0.18 -0.15 0.00 0.00 0.00 0.00 61.98 61.96 2bkd s VAL 84 Cb -0.14 -3.48 -0.24 0.00 0.00 0.00 0.00 36.38 32.52 2bkd s VAL 84 CO 0.04 0.39 0.35 -0.09 0.00 0.00 0.00 175.10 175.80 2bkd h ARG 85 N 7.14 0.15 -3.68 2.72 2.43 -1.66 -3.38 114.38 118.09 2bkd h ARG 85 Ca -0.39 -0.26 -0.16 0.00 -0.81 0.00 0.00 59.98 58.36 2bkd h ARG 85 Cb 1.16 0.10 -0.21 0.00 -0.42 0.00 0.00 29.97 30.60 2bkd h ARG 85 CO 0.70 1.12 -0.57 1.41 -1.51 0.00 0.00 179.97 181.12 2bkd s MET 86 N -2.46 0.40 -0.15 0.20 0.00 -1.25 -4.86 119.30 111.18 2bkd s MET 86 Ca -0.24 -0.45 0.01 0.00 0.00 0.00 0.00 55.69 55.00 2bkd s MET 86 Cb 0.06 0.16 0.00 0.00 0.00 0.00 0.00 34.83 35.05 2bkd s MET 86 CO 0.70 -0.09 -0.17 0.42 0.00 0.00 0.00 175.02 175.88 2bkd s ILE 87 N -1.34 2.52 -0.45 10.11 1.01 -1.26 -1.77 121.20 130.01 2bkd s ILE 87 Ca -0.14 -0.82 0.02 0.00 0.00 0.00 0.00 60.65 59.71 2bkd s ILE 87 Cb -0.08 -2.05 0.13 0.00 0.01 0.00 0.00 42.46 40.47 2bkd s ILE 87 CO 0.01 0.52 0.23 -0.75 0.00 0.00 0.00 174.94 174.95 2bkd s LYS 88 N 0.84 1.42 2.93 2.79 2.20 0.82 -4.98 119.74 125.76 2bkd s LYS 88 Ca -0.05 -2.11 0.00 0.00 -0.36 0.00 0.00 55.97 53.45 2bkd s LYS 88 Cb -0.15 -2.56 0.00 0.00 -1.51 0.00 0.00 37.83 33.61 2bkd s LYS 88 CO -0.01 -1.14 0.00 0.41 -0.36 0.00 0.00 175.35 174.25 2bkd n GLY 89 N 3.50 1.20 0.19 5.54 0.00 -1.26 -1.33 105.19 113.03 2bkd n GLY 89 Ca 0.07 0.31 0.03 0.00 0.00 0.00 0.00 46.02 46.43 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 0.79 -4.22 1.61 4.71 -1.26 -5.02 120.64 117.24 2bkd n GLU 90 Ca 0.00 -0.70 -0.35 0.00 -0.01 0.00 0.00 57.16 56.10 2bkd n GLU 90 Cb 0.00 -1.05 -0.09 0.00 -1.01 0.00 0.00 31.44 29.29 2bkd n GLU 90 CO 0.00 0.00 0.00 0.12 0.09 0.00 0.00 177.13 177.34 2bkd s PHE 91 N -0.67 3.25 -0.04 -0.32 5.36 -0.44 -3.77 117.98 121.36 2bkd s PHE 91 Ca 0.06 0.21 0.01 0.00 -0.96 0.00 0.00 56.93 56.25 2bkd s PHE 91 Cb 0.05 -1.87 0.02 0.00 -0.34 0.00 0.00 43.02 40.87 2bkd s PHE 91 CO 0.10 0.44 -0.05 0.71 -1.46 0.00 0.00 175.22 174.96 2bkd s TYR 92 N -0.64 0.70 -0.28 10.12 1.51 -0.29 -0.12 117.35 128.36 2bkd s TYR 92 Ca 0.11 -0.18 -0.09 0.00 -1.01 0.00 0.00 57.07 55.90 2bkd s TYR 92 Cb -0.12 -0.61 -0.02 0.00 -0.11 0.00 0.00 41.96 41.10 2bkd s TYR 92 CO 0.02 -0.16 0.12 0.14 -1.11 0.00 0.00 175.55 174.56 2bkd s VAL 93 N 0.77 4.53 -0.06 0.71 -7.23 -0.73 -1.60 120.40 116.79 2bkd s VAL 93 Ca -0.10 -0.25 0.05 0.00 -1.81 0.00 0.00 61.98 59.87 2bkd s VAL 93 Cb -0.13 -3.21 -0.01 0.00 0.56 0.00 0.00 36.38 33.59 2bkd s VAL 93 CO 0.00 0.21 -0.23 0.27 -0.31 0.00 0.00 175.10 175.05 2bkd s ILE 94 N 1.63 1.88 -0.25 -0.62 -0.00 -0.37 -1.77 121.20 121.71 2bkd s ILE 94 Ca 0.06 -0.96 -0.10 0.00 -0.00 0.00 0.00 60.65 59.65 2bkd s ILE 94 Cb -0.16 -1.61 -0.04 0.00 -0.00 0.00 0.00 42.46 40.65 2bkd s ILE 94 CO 0.05 0.53 0.14 -0.70 -0.00 0.00 0.00 174.94 174.96 2bkd s GLU 95 N -0.02 3.94 0.04 0.37 2.12 0.29 -0.74 118.70 124.70 2bkd s GLU 95 Ca -0.06 -0.34 -0.06 0.00 0.36 0.00 0.00 54.97 54.87 2bkd s GLU 95 Cb -0.14 -3.49 -0.05 0.00 0.26 0.00 0.00 34.13 30.72 2bkd s GLU 95 CO 0.04 -0.03 0.29 0.71 -0.54 0.00 0.00 175.26 175.73 2bkd s TYR 96 N 1.28 3.56 -0.43 5.30 1.51 -1.26 -0.72 117.35 126.59 2bkd s TYR 96 Ca 0.06 0.57 -0.20 0.00 -1.01 0.00 0.00 57.07 56.50 2bkd s TYR 96 Cb -0.14 -1.99 0.02 0.00 -0.11 0.00 0.00 41.96 39.74 2bkd s TYR 96 CO 0.06 0.58 0.59 0.00 -1.11 0.00 0.00 175.55 175.66 2bkd s ALA 97 N -1.38 3.37 0.00 3.71 0.00 -1.13 -4.88 121.76 121.45 2bkd s ALA 97 Ca 0.31 -1.26 0.00 0.00 0.00 0.00 0.00 51.96 51.00 2bkd s ALA 97 Cb -0.13 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.76 2bkd s ALA 97 CO 0.18 -1.71 0.00 0.00 0.00 0.00 0.00 175.76 174.23 2bkd n ALA 98 N 6.09 2.01 0.00 0.00 0.00 -1.26 -4.87 120.51 122.48 2bkd n ALA 98 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2bkd n ALA 98 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 0.00 0.00 -4.66 0.00 9.92 -1.26 -4.99 116.55 115.57 2bkd n ASP 100 Ca 0.00 0.00 -0.43 0.00 -0.53 0.00 0.00 54.79 53.83 2bkd n ASP 100 Cb 0.00 0.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.46 2bkd n ASP 100 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2bkd s ALA 101 N -3.93 3.63 -0.01 2.24 0.00 -1.26 -5.03 121.76 117.40 2bkd s ALA 101 Ca 0.00 0.34 0.06 0.00 0.00 0.00 0.00 51.96 52.37 2bkd s ALA 101 Cb 0.00 -3.62 -0.03 0.00 0.00 0.00 0.00 23.12 19.47 2bkd s ALA 101 CO 0.00 -1.22 -0.20 0.99 0.00 0.00 0.00 175.76 175.34 2bkd s THR 102 N 3.53 2.61 -0.18 0.00 2.01 -1.26 -5.06 115.64 117.29 2bkd s THR 102 Ca 0.52 -1.00 0.14 0.00 0.31 0.00 0.00 61.69 61.66 2bkd s THR 102 Cb -0.19 -2.01 0.43 0.00 0.01 0.00 0.00 72.50 70.74 2bkd s THR 102 CO 0.13 0.51 1.20 -1.22 -0.69 0.00 0.00 174.62 174.56 2bkd n TYR 103 N 2.13 0.48 -0.76 4.92 4.01 -1.26 -5.03 117.16 121.66 2bkd n TYR 103 Ca -0.17 -1.44 0.00 0.00 -0.16 0.00 0.00 57.90 56.14 2bkd n TYR 103 Cb 0.52 -0.24 0.00 0.00 -0.31 0.00 0.00 39.34 39.31 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 -0.70 -4.73 -4.27 7.72 5.15 -1.26 -5.04 115.26 112.12 2bkd n ASN 104 Ca 0.20 0.58 -0.31 0.00 -0.60 0.00 0.00 54.58 54.44 2bkd n ASN 104 Cb 0.83 -1.66 -0.16 0.00 -0.53 0.00 0.00 39.78 38.26 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 -4.43 2.30 -0.29 1.20 2.56 0.09 -4.97 118.70 115.16 2bkd s GLU 105 Ca 0.00 -0.89 -0.17 0.00 0.00 0.00 0.00 54.97 53.92 2bkd s GLU 105 Cb 0.00 -2.05 -0.03 0.00 2.00 0.00 0.00 34.13 34.05 2bkd s GLU 105 CO 0.00 0.44 0.45 0.96 -0.56 0.00 0.00 175.26 176.55 2bkd s ILE 106 N -0.32 5.10 0.07 -3.70 -4.36 -1.26 -1.23 121.20 115.50 2bkd s ILE 106 Ca 0.02 0.61 0.01 0.00 -0.26 0.00 0.00 60.65 61.03 2bkd s ILE 106 Cb -0.12 -3.81 -0.04 0.00 1.25 0.00 0.00 42.46 39.75 2bkd s ILE 106 CO 0.02 0.04 -0.06 -0.69 0.24 0.00 0.00 174.94 174.49 2bkd s VAL 107 N 2.22 0.49 0.37 8.37 1.01 -0.63 -5.01 120.40 127.22 2bkd s VAL 107 Ca 0.18 -1.64 0.08 0.00 0.00 0.00 0.00 61.98 60.60 2bkd s VAL 107 Cb -0.16 -1.30 -0.06 0.00 0.00 0.00 0.00 36.38 34.87 2bkd s VAL 107 CO 0.10 -0.77 0.07 0.28 0.00 0.00 0.00 175.10 174.78 2bkd s THR 108 N -3.06 2.48 0.58 3.92 -1.32 -1.26 -1.13 115.64 115.85 2bkd s THR 108 Ca 0.04 -1.87 0.29 0.00 -1.21 0.00 0.00 61.69 58.94 2bkd s THR 108 Cb 0.02 -2.90 0.40 0.00 -1.51 0.00 0.00 72.50 68.50 2bkd s THR 108 CO -0.05 -0.11 1.92 -0.29 -2.21 0.00 0.00 174.62 173.88 2bkd h ILE 109 N 1.67 0.44 -1.02 5.08 6.09 -1.91 -2.07 117.51 125.78 2bkd h ILE 109 Ca -0.43 0.00 0.30 0.00 -1.37 0.00 0.00 64.86 63.36 2bkd h ILE 109 Cb 1.25 0.64 -0.14 0.00 0.47 0.00 0.00 36.82 39.04 2bkd h ILE 109 CO 0.69 0.00 0.60 -0.08 -3.07 0.00 0.00 178.15 176.29 2bkd h GLU 110 N 0.00 0.37 -0.30 2.19 4.81 -1.96 -1.81 114.58 117.88 2bkd h GLU 110 Ca 0.24 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 2bkd h GLU 110 Cb 1.18 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.47 2bkd h GLU 110 CO -0.00 0.25 0.00 0.54 -0.73 0.00 0.00 179.01 179.06 2bkd n ARG 111 N -4.95 2.89 -5.17 1.92 1.74 -0.78 -4.98 116.66 107.32 2bkd n ARG 111 Ca 0.30 -2.36 -0.32 0.00 -0.77 0.00 0.00 57.85 54.71 2bkd n ARG 111 Cb 0.94 -1.49 -0.17 0.00 -1.02 0.00 0.00 32.46 30.72 2bkd n ARG 111 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2bkd s LEU 112 N -1.75 2.12 0.00 0.55 1.43 -0.68 -1.67 118.68 118.68 2bkd s LEU 112 Ca 0.30 -0.55 0.01 0.00 -1.03 0.00 0.00 54.13 52.86 2bkd s LEU 112 Cb 0.21 -1.42 -0.01 0.00 0.03 0.00 0.00 46.19 45.00 2bkd s LEU 112 CO 0.12 0.16 0.05 0.54 0.23 0.00 0.00 176.35 177.45 2bkd n ARG 113 N 3.55 0.42 -4.25 1.70 5.12 0.30 -4.90 116.66 118.59 2bkd n ARG 113 Ca -0.19 -0.79 -0.17 0.00 -1.93 0.00 0.00 57.85 54.76 2bkd n ARG 113 Cb 0.53 0.56 -0.08 0.00 -1.16 0.00 0.00 32.46 32.30 2bkd n ARG 113 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2bkd s SER 114 N -1.56 1.27 0.00 0.55 1.04 -1.26 -0.70 113.70 113.03 2bkd s SER 114 Ca 0.07 -1.65 0.00 0.00 0.48 0.00 0.00 55.95 54.85 2bkd s SER 114 Cb 0.00 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.65 2bkd s SER 114 CO 0.05 -1.03 0.00 0.55 0.98 0.00 0.00 173.24 173.79 2bkd n VAL 115 N -0.54 0.00 -3.83 5.02 3.14 -1.26 -4.90 118.33 115.96 2bkd n VAL 115 Ca 0.06 0.00 -0.21 0.00 -2.96 0.00 0.00 64.34 61.23 2bkd n VAL 115 Cb 0.63 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 33.38 2bkd n VAL 115 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 2bkd s ASN 116 N 1.06 5.45 -0.21 6.55 3.84 -1.26 -4.75 114.94 125.61 2bkd s ASN 116 Ca 0.00 -0.39 0.11 0.00 0.21 0.00 0.00 52.86 52.79 2bkd s ASN 116 Cb 0.00 -1.11 0.67 0.00 -0.55 0.00 0.00 41.25 40.26 2bkd s ASN 116 CO 0.00 -0.29 1.55 -0.81 -2.79 0.00 0.00 177.10 174.76 2bkd n PRO 117 N -1.37 4.07 -1.90 0.43 -0.04 -1.26 -4.77 135.00 130.16 2bkd n PRO 117 Ca -0.03 -2.60 -0.34 0.00 -0.04 0.00 0.00 63.50 60.49 2bkd n PRO 117 Cb 0.59 -2.13 0.04 0.00 -0.04 0.00 0.00 33.50 31.96 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 -0.66 5.17 0.44 3.54 4.22 -1.26 -4.95 114.94 121.44 2bkd s ASN 118 Ca 0.45 2.18 -0.16 0.00 -2.14 0.00 0.00 52.86 53.19 2bkd s ASN 118 Cb 0.35 -2.57 -0.09 0.00 1.28 0.00 0.00 41.25 40.22 2bkd s ASN 118 CO 0.13 -1.60 0.89 -0.54 -2.04 0.00 0.00 177.10 173.95 2bkd s LYS 119 N -3.69 4.00 -1.12 3.55 1.02 -1.26 -4.71 119.74 117.53 2bkd s LYS 119 Ca 0.72 0.86 -0.21 0.00 0.02 0.00 0.00 55.97 57.35 2bkd s LYS 119 Cb -0.25 -2.24 0.04 0.00 -0.52 0.00 0.00 37.83 34.86 2bkd s LYS 119 CO 0.36 -0.10 1.63 -1.25 -0.92 0.00 0.00 175.35 175.07 2bkd s PRO 120 N -3.63 3.56 -0.21 -1.68 0.04 -1.26 -4.50 135.00 127.32 2bkd s PRO 120 Ca 0.57 -1.35 -0.10 0.00 0.04 0.00 0.00 61.00 60.16 2bkd s PRO 120 Cb -0.10 -5.39 0.04 0.00 0.04 0.00 0.00 34.50 29.09 2bkd s PRO 120 CO 0.24 -2.45 0.21 0.00 0.04 0.00 0.00 177.00 175.04 2bkd n ALA 121 N 9.54 -3.67 0.00 8.56 0.00 -1.26 -4.53 120.51 129.15 2bkd n ALA 121 Ca 0.40 2.09 0.00 0.00 0.00 0.00 0.00 53.44 55.93 2bkd n ALA 121 Cb 0.49 -4.09 0.00 0.00 0.00 0.00 0.00 19.45 15.84 2bkd n ALA 121 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2bkd n THR 122 N 1.54 0.00 -0.08 0.00 5.66 -1.26 -4.98 114.28 115.15 2bkd n THR 122 Ca -0.35 0.00 0.09 0.00 -3.05 0.00 0.00 64.05 60.74 2bkd n THR 122 Cb 0.54 0.00 0.46 0.00 -1.55 0.00 0.00 70.33 69.78 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 0.49 -0.05 1.09 3.64 -1.98 -1.40 116.57 118.36 2bkd h LYS 123 Ca 0.00 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2bkd h LYS 123 Cb 0.00 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.71 2bkd h LYS 123 CO 0.00 0.32 -0.00 0.22 -2.27 0.00 0.00 179.45 177.72 2bkd h ASP 124 N 0.50 0.06 0.86 4.20 3.58 -1.96 -2.96 116.42 120.70 2bkd h ASP 124 Ca 0.26 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.70 2bkd h ASP 124 Cb 0.36 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.40 2bkd h ASP 124 CO -0.07 0.08 0.00 0.00 -2.88 0.00 0.00 179.24 176.37 2bkd h THR 125 N 0.07 0.00 -0.13 2.25 1.03 -1.48 -3.45 112.91 111.20 2bkd h THR 125 Ca 0.02 -0.38 -0.08 0.00 -0.01 0.00 0.00 66.41 65.96 2bkd h THR 125 Cb 0.06 1.26 -0.04 0.00 -1.07 0.00 0.00 68.15 68.36 2bkd h THR 125 CO 0.00 0.00 0.10 0.49 -0.01 0.00 0.00 175.52 176.10 2bkd n PHE 126 N -2.73 0.40 -3.80 0.00 3.01 -1.12 -5.03 117.46 108.19 2bkd n PHE 126 Ca 0.01 -0.98 -0.13 0.00 1.01 0.00 0.00 57.45 57.37 2bkd n PHE 126 Cb 0.26 -0.49 -0.12 0.00 -0.01 0.00 0.00 39.48 39.13 2bkd n PHE 126 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 2bkd s LYS 128 N -0.45 0.24 -0.00 -1.08 2.20 -1.26 -5.04 119.74 114.33 2bkd s LYS 128 Ca 0.08 0.29 -0.26 0.00 -0.36 0.00 0.00 55.97 55.71 2bkd s LYS 128 Cb 0.06 0.11 -0.04 0.00 -1.51 0.00 0.00 37.83 36.45 2bkd s LYS 128 CO 0.01 -0.03 0.81 0.42 -0.36 0.00 0.00 175.35 176.19 2bkd s ILE 129 N 0.12 4.87 -0.33 5.43 1.01 -1.26 -5.03 121.20 126.01 2bkd s ILE 129 Ca -0.00 1.70 -0.05 0.00 0.00 0.00 0.00 60.65 62.30 2bkd s ILE 129 Cb -0.02 -4.15 0.05 0.00 0.01 0.00 0.00 42.46 38.35 2bkd s ILE 129 CO 0.00 0.27 0.07 -0.54 0.00 0.00 0.00 174.94 174.74 2bkd s LYS 130 N 0.53 2.52 -0.17 2.79 3.01 -1.26 -5.04 119.74 122.12 2bkd s LYS 130 Ca 0.42 -1.25 -0.05 0.00 -1.01 0.00 0.00 55.97 54.08 2bkd s LYS 130 Cb -0.20 -3.37 0.09 0.00 -1.01 0.00 0.00 37.83 33.34 2bkd s LYS 130 CO 0.23 -0.68 0.31 -1.17 0.51 0.00 0.00 175.35 174.55 2bkd s LEU 131 N 1.33 -0.40 -0.01 3.17 1.98 -1.26 -5.15 118.68 118.34 2bkd s LEU 131 Ca -0.02 0.51 -0.14 0.00 -2.89 0.00 0.00 54.13 51.58 2bkd s LEU 131 Cb -0.20 0.86 0.02 0.00 0.66 0.00 0.00 46.19 47.53 2bkd s LEU 131 CO 0.01 -0.26 0.29 1.51 -1.89 0.00 0.00 176.35 176.01 2bkd s ASP 132 N 2.47 -0.16 -0.26 3.68 -4.77 -1.26 -5.14 116.67 111.23 2bkd s ASP 132 Ca 0.03 0.03 -0.02 0.00 -3.30 0.00 0.00 52.55 49.30 2bkd s ASP 132 Cb -0.13 0.30 0.14 0.00 -1.09 0.00 0.00 42.92 42.15 2bkd s ASP 132 CO -0.11 -0.45 0.42 0.54 0.70 0.00 0.00 175.17 176.27 2bkd s VAL 133 N -1.42 -0.67 -2.00 2.11 0.11 -1.26 -5.36 120.40 111.92 2bkd s VAL 133 Ca -0.13 -0.07 0.30 0.00 -2.93 0.00 0.00 61.98 59.15 2bkd s VAL 133 Cb -0.05 -0.86 0.86 0.00 -1.53 0.00 0.00 36.38 34.80 2bkd s VAL 133 CO 0.04 -0.11 2.14 -0.81 -3.33 0.00 0.00 175.10 173.02