#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 3.39 0.00 0.03 8.01 -1.26 -4.89 118.70 123.98 2bkd s GLU 2 Ca 0.00 -1.94 0.00 0.00 0.01 0.00 0.00 54.97 53.04 2bkd s GLU 2 Cb 0.00 -4.47 0.00 0.00 -4.31 0.00 0.00 34.13 25.35 2bkd s GLU 2 CO 0.00 -1.46 0.00 -0.85 0.01 0.00 0.00 175.26 172.96 2bkd n GLU 3 N 5.24 0.00 -2.98 1.61 0.28 -1.26 -4.99 120.64 118.53 2bkd n GLU 3 Ca 0.07 0.03 -0.39 0.00 -0.16 0.00 0.00 57.16 56.70 2bkd n GLU 3 Cb 0.45 -0.24 -0.06 0.00 1.43 0.00 0.00 31.44 33.03 2bkd n GLU 3 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2bkd s LEU 4 N -3.14 4.55 -0.14 -1.84 2.01 -1.26 -4.95 118.68 113.90 2bkd s LEU 4 Ca 0.00 1.63 -0.04 0.00 0.01 0.00 0.00 54.13 55.73 2bkd s LEU 4 Cb 0.00 -3.38 -0.03 0.00 0.01 0.00 0.00 46.19 42.79 2bkd s LEU 4 CO 0.00 0.17 0.00 0.54 1.01 0.00 0.00 176.35 178.08 2bkd s VAL 5 N -1.23 4.30 0.41 -1.59 0.11 -1.26 -0.41 120.40 120.72 2bkd s VAL 5 Ca 0.38 -0.22 0.07 0.00 -2.93 0.00 0.00 61.98 59.28 2bkd s VAL 5 Cb -0.22 -2.88 -0.06 0.00 -1.53 0.00 0.00 36.38 31.70 2bkd s VAL 5 CO 0.25 0.52 0.15 0.68 -3.33 0.00 0.00 175.10 173.37 2bkd s VAL 6 N -0.01 2.29 -0.23 2.04 -7.23 -0.13 -4.58 120.40 112.55 2bkd s VAL 6 Ca 0.03 -1.75 -0.04 0.00 -1.81 0.00 0.00 61.98 58.41 2bkd s VAL 6 Cb -0.13 -2.99 -0.00 0.00 0.56 0.00 0.00 36.38 33.82 2bkd s VAL 6 CO 0.02 -0.01 -0.03 -1.61 -0.31 0.00 0.00 175.10 173.16 2bkd s GLU 7 N -3.87 3.30 -0.06 4.82 2.02 0.16 -1.08 118.70 123.99 2bkd s GLU 7 Ca 0.40 -0.68 0.01 0.00 0.02 0.00 0.00 54.97 54.72 2bkd s GLU 7 Cb 0.04 -3.05 -0.03 0.00 0.10 0.00 0.00 34.13 31.19 2bkd s GLU 7 CO 0.22 -0.24 -0.08 0.14 0.02 0.00 0.00 175.26 175.32 2bkd s VAL 8 N 1.47 3.62 0.03 2.63 -7.23 -0.16 -0.88 120.40 119.87 2bkd s VAL 8 Ca 0.05 -0.54 -0.02 0.00 -1.81 0.00 0.00 61.98 59.65 2bkd s VAL 8 Cb -0.15 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.27 2bkd s VAL 8 CO -0.03 0.58 0.21 -0.60 -0.31 0.00 0.00 175.10 174.95 2bkd s ARG 9 N -0.87 3.46 0.00 4.82 3.00 -0.38 -0.46 118.95 128.52 2bkd s ARG 9 Ca 0.13 -0.34 0.00 0.00 -1.00 0.00 0.00 55.73 54.52 2bkd s ARG 9 Cb -0.11 -3.06 0.00 0.00 0.00 0.00 0.00 34.95 31.78 2bkd s ARG 9 CO 0.02 0.64 0.00 0.41 0.00 0.00 0.00 175.30 176.37 2bkd n GLY 10 N 0.66 -0.81 0.10 8.12 0.00 -0.60 -4.92 105.19 107.74 2bkd n GLY 10 Ca -0.08 0.10 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 2bkd n GLY 10 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2bkd h SER 11 N 0.00 0.39 -0.26 1.61 4.64 -1.96 -3.38 113.55 114.59 2bkd h SER 11 Ca 0.00 -0.42 -0.63 0.00 -0.47 0.00 0.00 61.79 60.27 2bkd h SER 11 Cb 0.00 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 61.94 2bkd h SER 11 CO 0.00 1.33 2.38 -3.20 -0.87 0.00 0.00 176.83 176.47 2bkd n ASN 12 N -3.51 3.59 0.00 4.97 5.15 -1.26 -4.56 115.26 119.64 2bkd n ASN 12 Ca -0.08 -2.79 0.00 0.00 -0.60 0.00 0.00 54.58 51.11 2bkd n ASN 12 Cb 1.02 -1.54 0.00 0.00 -0.53 0.00 0.00 39.78 38.73 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 4.76 2.01 0.00 8.20 0.00 -1.26 -4.36 105.19 114.54 2bkd n GLY 13 Ca 0.50 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2bkd n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bkd n ALA 14 N 0.00 0.00 -2.49 4.61 0.00 -1.26 -4.70 120.51 116.67 2bkd n ALA 14 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 2bkd n ALA 14 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 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 1.19 1.88 -0.04 0.00 -0.71 -1.26 -1.55 117.98 117.49 2bkd s PHE 15 Ca 0.00 -0.43 0.05 0.00 -1.04 0.00 0.00 56.93 55.51 2bkd s PHE 15 Cb 0.00 -0.99 -0.01 0.00 -1.21 0.00 0.00 43.02 40.82 2bkd s PHE 15 CO 0.00 0.28 -0.17 1.52 -1.34 0.00 0.00 175.22 175.51 2bkd s TYR 16 N -1.52 1.67 0.05 3.49 1.13 0.39 -4.01 117.35 118.56 2bkd s TYR 16 Ca 0.11 -0.44 -0.31 0.00 -1.41 0.00 0.00 57.07 55.03 2bkd s TYR 16 Cb -0.08 -1.11 -0.06 0.00 -1.10 0.00 0.00 41.96 39.61 2bkd s TYR 16 CO 0.06 -0.13 1.23 0.15 -2.51 0.00 0.00 175.55 174.34 2bkd s LYS 17 N -0.06 4.41 0.01 -3.49 1.02 -1.12 -0.98 119.74 119.52 2bkd s LYS 17 Ca -0.01 1.80 0.02 0.00 0.02 0.00 0.00 55.97 57.79 2bkd s LYS 17 Cb -0.10 -3.37 -0.01 0.00 -0.52 0.00 0.00 37.83 33.83 2bkd s LYS 17 CO 0.01 -0.30 -0.06 0.00 -0.92 0.00 0.00 175.35 174.08 2bkd s ALA 18 N 1.22 0.50 -0.13 5.17 0.00 -0.24 -4.75 121.76 123.53 2bkd s ALA 18 Ca 0.59 -0.41 -0.00 0.00 0.00 0.00 0.00 51.96 52.14 2bkd s ALA 18 Cb -0.30 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 2bkd s ALA 18 CO 0.29 0.07 -0.12 -0.06 0.00 0.00 0.00 175.76 175.93 2bkd s PHE 19 N -0.54 2.83 -0.20 0.00 0.08 0.05 -0.96 117.98 119.24 2bkd s PHE 19 Ca -0.02 -0.61 -0.29 0.00 0.12 0.00 0.00 56.93 56.13 2bkd s PHE 19 Cb -0.05 -1.85 0.01 0.00 -0.57 0.00 0.00 43.02 40.56 2bkd s PHE 19 CO 0.00 -0.20 1.03 0.08 -0.10 0.00 0.00 175.22 176.04 2bkd s VAL 20 N 0.35 4.70 -0.18 -0.44 1.01 0.45 -1.09 120.40 125.19 2bkd s VAL 20 Ca -0.10 2.03 -0.21 0.00 0.00 0.00 0.00 61.98 63.70 2bkd s VAL 20 Cb -0.16 -4.31 -0.18 0.00 0.00 0.00 0.00 36.38 31.73 2bkd s VAL 20 CO 0.05 -0.14 0.29 0.50 0.00 0.00 0.00 175.10 175.80 2bkd h LYS 21 N 7.38 0.00 -3.10 2.72 3.11 -1.42 -3.36 116.57 121.89 2bkd h LYS 21 Ca -0.22 0.00 -0.10 0.00 -2.81 0.00 0.00 60.65 57.53 2bkd h LYS 21 Cb 1.08 0.00 -0.18 0.00 -1.00 0.00 0.00 32.23 32.13 2bkd h LYS 21 CO 0.95 0.87 -0.22 0.34 -2.81 0.00 0.00 179.45 178.59 2bkd s ASP 22 N -6.57 -0.19 -0.59 4.20 2.15 -0.67 -5.01 116.67 109.98 2bkd s ASP 22 Ca -0.24 -0.02 0.06 0.00 0.43 0.00 0.00 52.55 52.78 2bkd s ASP 22 Cb 0.03 0.36 0.25 0.00 -0.30 0.00 0.00 42.92 43.26 2bkd s ASP 22 CO 0.56 -0.56 0.69 1.33 -0.17 0.00 0.00 175.17 177.02 2bkd n VAL 23 N 0.85 1.76 -2.42 1.11 0.24 -1.26 -0.82 118.33 117.78 2bkd n VAL 23 Ca -0.20 -4.98 -0.05 0.00 -2.04 0.00 0.00 64.34 57.08 2bkd n VAL 23 Cb 0.58 -2.07 0.02 0.00 -1.47 0.00 0.00 33.84 30.90 2bkd n VAL 23 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2bkd n GLU 25 N 1.00 -1.87 0.00 7.34 1.02 -1.26 -5.02 120.64 121.86 2bkd n GLU 25 Ca 0.28 0.24 0.00 0.00 -0.02 0.00 0.00 57.16 57.66 2bkd n GLU 25 Cb 0.43 -3.44 0.00 0.00 -0.02 0.00 0.00 31.44 28.41 2bkd n GLU 25 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2bkd n ASP 26 N -1.49 0.00 0.00 1.62 2.03 -1.26 -4.88 116.55 112.58 2bkd n ASP 26 Ca -0.08 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.23 2bkd n ASP 26 Cb 0.55 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.95 2bkd n ASP 26 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2bkd n SER 27 N 5.11 0.00 -3.95 1.67 7.64 -1.26 -5.06 113.62 117.76 2bkd n SER 27 Ca 0.00 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.65 2bkd n SER 27 Cb 0.00 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.03 2bkd n SER 27 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 2bkd s ILE 28 N 3.58 0.86 -0.25 0.44 2.07 -0.78 -4.62 121.20 122.50 2bkd s ILE 28 Ca 0.00 -0.30 -0.07 0.00 -1.41 0.00 0.00 60.65 58.87 2bkd s ILE 28 Cb 0.00 -0.83 -0.02 0.00 0.13 0.00 0.00 42.46 41.74 2bkd s ILE 28 CO 0.00 0.30 0.05 -0.89 -1.91 0.00 0.00 174.94 172.49 2bkd s THR 29 N 0.88 4.11 0.14 4.00 2.01 -0.00 -0.83 115.64 125.94 2bkd s THR 29 Ca -0.11 -0.26 -0.04 0.00 0.31 0.00 0.00 61.69 61.59 2bkd s THR 29 Cb -0.15 -2.92 -0.03 0.00 0.01 0.00 0.00 72.50 69.41 2bkd s THR 29 CO 0.01 0.34 0.13 0.68 -0.69 0.00 0.00 174.62 175.09 2bkd s VAL 30 N 1.58 0.10 -0.03 3.82 -7.23 -0.63 -1.10 120.40 116.90 2bkd s VAL 30 Ca 0.06 -1.72 -0.14 0.00 -1.81 0.00 0.00 61.98 58.37 2bkd s VAL 30 Cb -0.15 -1.94 0.02 0.00 0.56 0.00 0.00 36.38 34.88 2bkd s VAL 30 CO 0.02 -0.44 0.31 0.00 -0.31 0.00 0.00 175.10 174.68 2bkd s ALA 31 N -4.01 -0.78 0.06 1.32 0.00 -0.25 -2.93 121.76 115.17 2bkd s ALA 31 Ca 0.21 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.60 2bkd s ALA 31 Cb 0.06 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 2bkd s ALA 31 CO 0.00 -0.24 0.18 -0.06 0.00 0.00 0.00 175.76 175.65 2bkd s PHE 32 N -1.04 3.46 0.61 0.00 0.08 -1.25 -0.77 117.98 119.07 2bkd s PHE 32 Ca -0.11 0.23 -0.17 0.00 0.12 0.00 0.00 56.93 57.00 2bkd s PHE 32 Cb -0.05 -1.74 -0.02 0.00 -0.57 0.00 0.00 43.02 40.64 2bkd s PHE 32 CO 0.03 0.58 1.11 -2.00 -0.10 0.00 0.00 175.22 174.85 2bkd s GLU 33 N -2.42 3.02 -0.16 0.44 2.56 -1.26 -3.80 118.70 117.08 2bkd s GLU 33 Ca 0.33 1.46 -0.06 0.00 0.00 0.00 0.00 54.97 56.70 2bkd s GLU 33 Cb -0.13 -1.97 -0.23 0.00 2.00 0.00 0.00 34.13 33.80 2bkd s GLU 33 CO 0.26 -1.08 3.51 -1.71 -0.56 0.00 0.00 175.26 175.67 2bkd n ASN 34 N -2.00 5.61 0.08 -1.70 4.05 -1.26 -2.62 115.26 117.43 2bkd n ASN 34 Ca 0.11 -2.55 -0.08 0.00 0.45 0.00 0.00 54.58 52.51 2bkd n ASN 34 Cb 0.52 -1.42 0.02 0.00 1.23 0.00 0.00 39.78 40.13 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 3.15 0.28 0.00 1.20 -0.73 -1.95 -3.47 115.58 114.07 2bkd h ASN 35 Ca 0.26 -0.21 0.00 0.00 1.87 0.00 0.00 56.30 58.22 2bkd h ASN 35 Cb 1.36 -0.09 0.00 0.00 0.27 0.00 0.00 38.32 39.87 2bkd h ASN 35 CO 0.40 0.98 0.00 -2.67 -0.37 0.00 0.00 177.43 175.77 2bkd n TRP 36 N -3.71 0.00 -3.76 0.67 4.27 -1.08 -5.17 117.44 108.66 2bkd n TRP 36 Ca -0.04 0.00 -0.13 0.00 -3.89 0.00 0.00 57.50 53.45 2bkd n TRP 36 Cb 0.77 0.00 -0.12 0.00 -1.36 0.00 0.00 31.31 30.60 2bkd n TRP 36 CO 0.00 0.00 0.00 1.14 -2.29 0.00 0.00 177.69 176.54 2bkd s GLN 37 N 1.01 0.31 0.00 -2.67 1.03 -1.26 -5.03 119.66 113.04 2bkd s GLN 37 Ca 0.00 0.45 0.00 0.00 0.04 0.00 0.00 55.36 55.85 2bkd s GLN 37 Cb 0.00 0.09 0.00 0.00 0.03 0.00 0.00 33.01 33.13 2bkd s GLN 37 CO 0.00 -0.07 0.00 -0.35 -2.54 0.00 0.00 175.29 172.33 2bkd n PRO 38 N 3.29 1.10 -1.57 9.60 -0.04 -1.25 -3.97 135.00 142.17 2bkd n PRO 38 Ca -0.16 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.30 2bkd n PRO 38 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 2bkd n PRO 38 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2bkd n ASP 39 N -2.11 -2.24 -3.97 3.54 2.03 -1.25 -4.85 116.55 107.70 2bkd n ASP 39 Ca 0.00 -0.01 -0.09 0.00 0.52 0.00 0.00 54.79 55.21 2bkd n ASP 39 Cb 0.00 -1.11 -0.07 0.00 -0.72 0.00 0.00 41.12 39.22 2bkd n ASP 39 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2bkd s ARG 40 N -3.01 1.08 -0.19 -0.67 1.70 -1.15 -5.07 118.95 111.64 2bkd s ARG 40 Ca 0.00 -1.17 -0.05 0.00 -0.47 0.00 0.00 55.73 54.05 2bkd s ARG 40 Cb -0.00 0.36 -0.03 0.00 -0.57 0.00 0.00 34.95 34.71 2bkd s ARG 40 CO 0.03 -0.38 -0.01 -1.14 -1.08 0.00 0.00 175.30 172.73 2bkd s GLN 41 N -3.96 3.66 -0.04 3.89 0.74 -1.26 -1.61 119.66 121.07 2bkd s GLN 41 Ca 0.16 -0.51 0.01 0.00 0.05 0.00 0.00 55.36 55.07 2bkd s GLN 41 Cb 0.04 -3.04 -0.03 0.00 1.10 0.00 0.00 33.01 31.08 2bkd s GLN 41 CO -0.02 0.10 -0.04 0.42 -0.55 0.00 0.00 175.29 175.20 2bkd s ILE 42 N 0.77 3.89 0.50 -2.34 1.01 -0.01 -4.94 121.20 120.07 2bkd s ILE 42 Ca 0.00 -0.52 -0.21 0.00 0.00 0.00 0.00 60.65 59.92 2bkd s ILE 42 Cb -0.14 -2.65 -0.07 0.00 0.01 0.00 0.00 42.46 39.61 2bkd s ILE 42 CO 0.02 0.51 1.13 -2.16 0.00 0.00 0.00 174.94 174.44 2bkd s PRO 43 N -1.10 3.59 0.00 2.79 0.04 -1.26 -1.87 135.00 137.19 2bkd s PRO 43 Ca 0.15 1.63 0.00 0.00 0.04 0.00 0.00 61.00 62.82 2bkd s PRO 43 Cb -0.11 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.24 2bkd s PRO 43 CO 0.05 -0.66 0.36 1.19 0.04 0.00 0.00 177.00 177.98 2bkd n PHE 44 N -0.91 0.00 0.00 0.56 3.72 -1.26 -3.53 117.46 116.04 2bkd n PHE 44 Ca 0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.49 2bkd n PHE 44 Cb 0.50 -0.35 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 2.67 0.00 -4.81 4.37 9.92 -1.26 -4.49 116.55 122.94 2bkd n ASP 46 Ca 0.00 0.00 -0.37 0.00 -0.53 0.00 0.00 54.79 53.89 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 5.25 0.08 2.53 1.01 -1.23 -1.25 120.40 126.79 2bkd s VAL 47 Ca 0.00 0.58 0.02 0.00 0.00 0.00 0.00 61.98 62.57 2bkd s VAL 47 Cb 0.00 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.74 2bkd s VAL 47 CO 0.00 0.53 -0.06 -0.13 0.00 0.00 0.00 175.10 175.44 2bkd s ARG 48 N -0.58 0.74 -0.15 2.72 3.00 -0.06 -3.71 118.95 120.92 2bkd s ARG 48 Ca 0.19 -1.20 -0.06 0.00 0.00 0.00 0.00 55.73 54.67 2bkd s ARG 48 Cb -0.14 -0.17 -0.04 0.00 0.00 0.00 0.00 34.95 34.60 2bkd s ARG 48 CO 0.08 -0.01 0.05 -0.06 0.00 0.00 0.00 175.30 175.35 2bkd s PHE 49 N -3.18 3.25 0.75 -0.53 0.08 -0.07 -0.67 117.98 117.62 2bkd s PHE 49 Ca 0.07 0.12 -0.11 0.00 0.12 0.00 0.00 56.93 57.12 2bkd s PHE 49 Cb 0.02 -1.98 0.04 0.00 -0.57 0.00 0.00 43.02 40.53 2bkd s PHE 49 CO -0.04 0.28 1.08 -1.25 -0.10 0.00 0.00 175.22 175.19 2bkd s PRO 50 N -0.09 2.45 0.97 0.24 0.04 -1.26 -1.93 135.00 135.42 2bkd s PRO 50 Ca 0.06 0.77 -0.14 0.00 0.04 0.00 0.00 61.00 61.74 2bkd s PRO 50 Cb -0.12 -1.95 0.17 0.00 0.04 0.00 0.00 34.50 32.64 2bkd s PRO 50 CO 0.01 -1.40 1.15 -1.25 0.04 0.00 0.00 177.00 175.55 2bkd s PRO 51 N -5.11 0.68 0.00 0.56 0.04 -1.26 -4.81 135.00 125.10 2bkd s PRO 51 Ca 0.60 0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.83 2bkd s PRO 51 Cb -0.14 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.60 2bkd s PRO 51 CO 0.55 -2.49 0.00 -0.35 0.04 0.00 0.00 177.00 174.74 2bkd n PRO 52 N -3.95 0.00 0.00 0.56 -0.04 -1.26 -5.04 135.00 125.27 2bkd n PRO 52 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 2bkd n PRO 52 Cb 0.59 -0.02 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 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 0.00 0.00 -2.98 0.52 0.31 -1.26 -4.98 118.33 109.93 2bkd n VAL 53 Ca 0.00 0.00 -0.44 0.00 -0.01 0.00 0.00 64.34 63.89 2bkd n VAL 53 Cb 0.00 -0.76 -0.03 0.00 -0.91 0.00 0.00 33.84 32.15 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 -3.23 1.94 0.18 2.92 0.00 -1.26 -5.01 107.32 102.86 2bkd s GLY 54 Ca 0.00 -2.68 0.03 0.00 0.00 0.00 0.00 44.72 42.08 2bkd s GLY 54 CO 0.00 1.89 0.31 -0.47 0.00 0.00 0.00 173.10 174.82 2bkd s TYR 55 N 2.54 3.47 -0.02 1.90 5.04 -1.26 -5.11 117.35 123.92 2bkd s TYR 55 Ca 0.28 0.07 0.01 0.00 -2.44 0.00 0.00 57.07 54.99 2bkd s TYR 55 Cb -0.09 -1.63 -0.03 0.00 0.35 0.00 0.00 41.96 40.55 2bkd s TYR 55 CO -0.06 0.49 -0.00 -0.80 -1.34 0.00 0.00 175.55 173.84 2bkd s ASN 56 N -3.47 5.11 -0.10 4.32 -0.87 -1.26 -5.11 114.94 113.56 2bkd s ASN 56 Ca 0.34 0.02 -0.06 0.00 -1.57 0.00 0.00 52.86 51.59 2bkd s ASN 56 Cb -0.10 -1.35 -0.04 0.00 -0.02 0.00 0.00 41.25 39.74 2bkd s ASN 56 CO 0.29 0.30 0.13 -0.54 -2.57 0.00 0.00 177.10 174.71 2bkd s LYS 57 N -1.39 3.39 0.00 -0.60 1.02 -1.26 -4.72 119.74 116.17 2bkd s LYS 57 Ca 0.18 -0.19 0.00 0.00 0.02 0.00 0.00 55.97 55.97 2bkd s LYS 57 Cb -0.11 -3.13 0.00 0.00 -0.52 0.00 0.00 37.83 34.07 2bkd s LYS 57 CO 0.08 0.75 0.00 -3.47 -0.92 0.00 0.00 175.35 171.80 2bkd n ASP 58 N 1.81 0.00 -1.67 2.83 2.03 -1.26 -5.10 116.55 115.19 2bkd n ASP 58 Ca -0.18 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.13 2bkd n ASP 58 Cb 0.54 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.94 2bkd n ASP 58 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2bkd n ILE 59 N -2.11 -5.32 -1.83 5.18 3.06 -1.26 -4.87 119.36 112.21 2bkd n ILE 59 Ca 0.00 2.44 -0.32 0.00 -2.50 0.00 0.00 62.75 62.37 2bkd n ILE 59 Cb 0.00 -3.40 0.04 0.00 0.54 0.00 0.00 39.64 36.82 2bkd n ILE 59 CO 0.00 0.00 0.00 0.59 -2.50 0.00 0.00 176.55 174.64 2bkd n ASN 60 N -1.05 6.42 0.00 9.51 5.03 -1.26 -5.01 115.26 128.90 2bkd n ASN 60 Ca 0.00 -3.78 0.00 0.00 0.87 0.00 0.00 54.58 51.67 2bkd n ASN 60 Cb 0.05 -0.74 0.00 0.00 -1.02 0.00 0.00 39.78 38.07 2bkd n ASN 60 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2bkd n GLU 61 N -0.71 0.00 -1.26 3.52 1.02 -1.26 -4.50 120.64 117.45 2bkd n GLU 61 Ca 0.52 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 57.45 2bkd n GLU 61 Cb 0.66 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.97 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 1.50 6.14 -0.41 1.62 3.41 -1.26 -4.79 113.62 119.83 2bkd n SER 62 Ca 0.00 -2.78 0.00 0.00 -0.26 0.00 0.00 58.87 55.83 2bkd n SER 62 Cb 0.00 -1.36 0.00 0.00 -0.26 0.00 0.00 64.21 62.59 2bkd n SER 62 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2bkd n ASP 63 N 1.98 1.47 -4.91 4.04 -0.08 -1.26 -4.93 116.55 112.86 2bkd n ASP 63 Ca 0.49 -0.24 -0.31 0.00 -1.51 0.00 0.00 54.79 53.22 2bkd n ASP 63 Cb 0.69 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 44.11 2bkd n ASP 63 CO 0.00 0.00 0.00 -1.83 0.12 0.00 0.00 177.20 175.49 2bkd s GLU 64 N 0.29 3.52 0.29 -0.67 -1.05 -1.26 -1.70 118.70 118.12 2bkd s GLU 64 Ca 0.00 -0.27 0.03 0.00 -0.15 0.00 0.00 54.97 54.57 2bkd s GLU 64 Cb 0.00 -2.96 -0.06 0.00 -0.44 0.00 0.00 34.13 30.67 2bkd s GLU 64 CO 0.00 0.55 0.07 0.14 0.95 0.00 0.00 175.26 176.97 2bkd s VAL 65 N -1.56 0.95 -0.08 1.83 -7.23 0.43 -4.40 120.40 110.34 2bkd s VAL 65 Ca 0.37 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.57 2bkd s VAL 65 Cb -0.13 -2.70 -0.02 0.00 0.56 0.00 0.00 36.38 34.10 2bkd s VAL 65 CO 0.26 -0.03 -0.18 -1.61 -0.31 0.00 0.00 175.10 173.23 2bkd s GLU 66 N -3.94 2.87 -0.25 4.82 2.02 -0.64 -1.33 118.70 122.25 2bkd s GLU 66 Ca 0.36 -0.77 -0.09 0.00 0.02 0.00 0.00 54.97 54.50 2bkd s GLU 66 Cb 0.08 -2.40 -0.04 0.00 0.10 0.00 0.00 34.13 31.88 2bkd s GLU 66 CO 0.14 0.37 0.12 0.08 0.02 0.00 0.00 175.26 175.99 2bkd s VAL 67 N -0.10 4.78 -0.29 2.63 1.01 -0.02 -0.74 120.40 127.67 2bkd s VAL 67 Ca -0.03 -0.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.82 2bkd s VAL 67 Cb -0.14 -3.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 2bkd s VAL 67 CO 0.04 0.33 0.21 -0.72 0.00 0.00 0.00 175.10 174.95 2bkd s TYR 68 N 1.45 3.22 0.11 5.22 -0.85 -1.00 -0.73 117.35 124.77 2bkd s TYR 68 Ca 0.06 0.07 0.06 0.00 -0.52 0.00 0.00 57.07 56.74 2bkd s TYR 68 Cb -0.15 -2.41 -0.04 0.00 0.38 0.00 0.00 41.96 39.75 2bkd s TYR 68 CO 0.06 -0.20 -0.15 -1.12 -1.52 0.00 0.00 175.55 172.62 2bkd s SER 69 N 1.75 2.02 0.21 -0.18 0.01 -1.26 -4.85 113.70 111.40 2bkd s SER 69 Ca 0.07 -0.75 -0.19 0.00 1.31 0.00 0.00 55.95 56.38 2bkd s SER 69 Cb -0.16 -0.08 -0.08 0.00 0.21 0.00 0.00 66.02 65.91 2bkd s SER 69 CO 0.11 -0.10 0.71 -0.13 0.41 0.00 0.00 173.24 174.24 2bkd s ARG 70 N -2.37 4.24 0.47 12.44 1.81 -1.26 -4.41 118.95 129.87 2bkd s ARG 70 Ca 0.06 0.84 0.13 0.00 -1.72 0.00 0.00 55.73 55.05 2bkd s ARG 70 Cb -0.07 -2.90 1.09 0.00 -0.45 0.00 0.00 34.95 32.62 2bkd s ARG 70 CO 0.03 0.41 2.08 0.00 -0.68 0.00 0.00 175.30 177.15 2bkd h ALA 71 N 3.49 1.84 -3.00 2.13 0.00 -1.47 -3.45 119.26 118.80 2bkd h ALA 71 Ca -0.48 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2bkd h ALA 71 Cb 1.19 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2bkd h ALA 71 CO 0.65 0.13 0.00 0.27 0.00 0.00 0.00 179.25 180.30 2bkd n ASN 72 N -4.47 0.00 0.00 0.00 0.23 -1.26 -5.02 115.26 104.75 2bkd n ASN 72 Ca -0.01 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.04 2bkd n ASN 72 Cb 0.13 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.83 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 0.00 -3.83 0.28 -1.26 -5.00 120.64 110.83 2bkd n GLU 73 Ca 0.00 -0.14 0.00 0.00 -0.16 0.00 0.00 57.16 56.86 2bkd n GLU 73 Cb 0.00 -0.46 0.00 0.00 1.43 0.00 0.00 31.44 32.41 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 0.00 -1.99 3.44 5.02 -1.26 -5.06 118.16 118.31 2bkd n LYS 74 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.87 2bkd n LYS 74 Cb 0.33 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.31 2bkd n LYS 74 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2bkd s GLU 75 N 0.00 4.18 -0.90 1.97 8.01 -1.26 -4.88 118.70 125.82 2bkd s GLU 75 Ca 0.00 2.21 -0.05 0.00 0.01 0.00 0.00 54.97 57.14 2bkd s GLU 75 Cb 0.00 -3.98 0.05 0.00 -4.31 0.00 0.00 34.13 25.88 2bkd s GLU 75 CO 0.00 -0.85 2.69 -0.35 0.01 0.00 0.00 175.26 176.76 2bkd n PRO 76 N 7.11 3.47 -1.13 0.39 -0.04 -1.26 -1.16 135.00 142.38 2bkd n PRO 76 Ca 0.17 -2.73 -0.18 0.00 -0.04 0.00 0.00 63.50 60.72 2bkd n PRO 76 Cb 0.43 -2.40 -0.05 0.00 -0.04 0.00 0.00 33.50 31.43 2bkd n PRO 76 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bkd n TRP 79 N 0.00 0.00 -4.40 0.00 7.02 -1.26 -4.01 117.44 114.79 2bkd n TRP 79 Ca 0.00 0.00 -0.20 0.00 -1.02 0.00 0.00 57.50 56.28 2bkd n TRP 79 Cb 0.00 0.00 -0.10 0.00 -2.42 0.00 0.00 31.31 28.79 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 -2.09 1.73 -0.08 -5.99 0.51 0.09 -4.11 118.94 109.00 2bkd s TRP 80 Ca 0.00 -1.17 0.03 0.00 -2.12 0.00 0.00 56.10 52.84 2bkd s TRP 80 Cb 0.00 -1.07 -0.02 0.00 -0.81 0.00 0.00 33.47 31.58 2bkd s TRP 80 CO 0.00 -0.25 -0.16 -1.17 -0.51 0.00 0.00 176.95 174.86 2bkd s LEU 81 N -3.44 2.60 0.04 2.99 0.20 -1.26 -0.84 118.68 118.98 2bkd s LEU 81 Ca 0.34 -0.30 -0.08 0.00 0.69 0.00 0.00 54.13 54.78 2bkd s LEU 81 Cb 0.07 -1.54 -0.00 0.00 -0.43 0.00 0.00 46.19 44.28 2bkd s LEU 81 CO 0.15 0.26 0.17 0.00 -0.29 0.00 0.00 176.35 176.64 2bkd s ALA 82 N -0.25 -0.27 -0.17 5.97 0.00 -0.44 -2.78 121.76 123.83 2bkd s ALA 82 Ca 0.01 -0.38 -0.01 0.00 0.00 0.00 0.00 51.96 51.58 2bkd s ALA 82 Cb -0.13 0.29 -0.00 0.00 0.00 0.00 0.00 23.12 23.28 2bkd s ALA 82 CO 0.03 -0.36 -0.13 0.15 0.00 0.00 0.00 175.76 175.45 2bkd s LYS 83 N -2.69 3.23 -0.06 0.00 3.01 0.03 -0.42 119.74 122.84 2bkd s LYS 83 Ca -0.04 -0.73 -0.26 0.00 -1.01 0.00 0.00 55.97 53.93 2bkd s LYS 83 Cb -0.01 -2.71 -0.03 0.00 -1.01 0.00 0.00 37.83 34.07 2bkd s LYS 83 CO -0.05 -0.05 0.83 0.08 0.51 0.00 0.00 175.35 176.67 2bkd s VAL 84 N 1.01 4.95 -0.17 3.17 1.01 -0.69 -0.25 120.40 129.43 2bkd s VAL 84 Ca -0.01 1.72 -0.20 0.00 0.00 0.00 0.00 61.98 63.49 2bkd s VAL 84 Cb -0.15 -4.17 -0.23 0.00 0.00 0.00 0.00 36.38 31.84 2bkd s VAL 84 CO -0.03 0.17 0.39 -0.09 0.00 0.00 0.00 175.10 175.54 2bkd h ARG 85 N 6.88 0.08 -2.77 2.72 9.65 -1.05 -3.42 114.38 126.47 2bkd h ARG 85 Ca -0.39 -0.14 0.08 0.00 -1.10 0.00 0.00 59.98 58.44 2bkd h ARG 85 Cb 1.19 0.05 -0.08 0.00 -1.39 0.00 0.00 29.97 29.74 2bkd h ARG 85 CO 0.77 1.07 0.31 0.00 2.80 0.00 0.00 179.97 184.92 2bkd s MET 86 N -2.39 1.46 -0.13 0.20 0.23 -1.09 -4.99 119.30 112.60 2bkd s MET 86 Ca -0.25 -0.75 0.01 0.00 -1.03 0.00 0.00 55.69 53.68 2bkd s MET 86 Cb 0.04 0.53 -0.01 0.00 -1.53 0.00 0.00 34.83 33.87 2bkd s MET 86 CO 0.66 -0.66 -0.17 0.42 -2.03 0.00 0.00 175.02 173.24 2bkd s ILE 87 N -3.66 2.60 -0.51 3.16 1.01 -1.26 -1.70 121.20 120.85 2bkd s ILE 87 Ca 0.09 -0.81 0.03 0.00 0.00 0.00 0.00 60.65 59.96 2bkd s ILE 87 Cb -0.03 -2.07 0.14 0.00 0.01 0.00 0.00 42.46 40.51 2bkd s ILE 87 CO 0.01 0.53 0.29 -0.75 0.00 0.00 0.00 174.94 175.02 2bkd s LYS 88 N 0.47 1.73 0.04 2.79 2.20 0.90 -5.01 119.74 122.87 2bkd s LYS 88 Ca -0.12 -2.46 0.00 0.00 -0.36 0.00 0.00 55.97 53.03 2bkd s LYS 88 Cb -0.16 -2.87 0.00 0.00 -1.51 0.00 0.00 37.83 33.29 2bkd s LYS 88 CO 0.05 -1.17 0.00 0.41 -0.36 0.00 0.00 175.35 174.28 2bkd n GLY 89 N 3.11 0.28 0.00 5.54 0.00 -1.26 -0.68 105.19 112.18 2bkd n GLY 89 Ca 0.10 0.72 0.04 0.00 0.00 0.00 0.00 46.02 46.87 2bkd n GLY 89 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2bkd n GLU 90 N 0.00 2.74 -4.07 1.61 0.28 -1.26 -5.01 120.64 114.93 2bkd n GLU 90 Ca 0.00 -0.03 -0.36 0.00 -0.16 0.00 0.00 57.16 56.61 2bkd n GLU 90 Cb 0.00 -0.99 -0.07 0.00 1.43 0.00 0.00 31.44 31.81 2bkd n GLU 90 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 2bkd s PHE 91 N -2.05 3.42 -0.06 -1.84 0.08 0.14 -0.97 117.98 116.70 2bkd s PHE 91 Ca 0.00 0.39 0.04 0.00 0.12 0.00 0.00 56.93 57.49 2bkd s PHE 91 Cb 0.05 -1.89 0.00 0.00 -0.57 0.00 0.00 43.02 40.62 2bkd s PHE 91 CO 0.31 0.62 -0.18 0.71 -0.10 0.00 0.00 175.22 176.59 2bkd s TYR 92 N -0.94 1.86 -0.25 0.36 1.51 -0.16 -0.07 117.35 119.66 2bkd s TYR 92 Ca 0.14 -0.62 -0.09 0.00 -1.01 0.00 0.00 57.07 55.49 2bkd s TYR 92 Cb -0.12 -1.27 -0.04 0.00 -0.11 0.00 0.00 41.96 40.42 2bkd s TYR 92 CO 0.03 -0.24 0.13 0.08 -1.11 0.00 0.00 175.55 174.44 2bkd s VAL 93 N 0.23 4.91 0.04 0.71 1.01 -0.69 -1.32 120.40 125.29 2bkd s VAL 93 Ca -0.09 0.03 0.04 0.00 0.00 0.00 0.00 61.98 61.96 2bkd s VAL 93 Cb -0.14 -3.30 -0.02 0.00 0.00 0.00 0.00 36.38 32.92 2bkd s VAL 93 CO 0.04 0.32 -0.13 -0.63 0.00 0.00 0.00 175.10 174.70 2bkd s ILE 94 N 1.44 1.02 -0.19 2.22 1.09 -0.42 -0.38 121.20 125.97 2bkd s ILE 94 Ca 0.06 -1.01 -0.10 0.00 -1.10 0.00 0.00 60.65 58.51 2bkd s ILE 94 Cb -0.15 -0.94 -0.05 0.00 -1.06 0.00 0.00 42.46 40.26 2bkd s ILE 94 CO 0.06 -0.06 0.13 -1.61 -0.10 0.00 0.00 174.94 173.36 2bkd s GLU 95 N -1.21 4.10 -0.08 2.79 2.02 0.65 -0.09 118.70 126.88 2bkd s GLU 95 Ca -0.00 -0.22 -0.09 0.00 0.02 0.00 0.00 54.97 54.68 2bkd s GLU 95 Cb -0.08 -3.38 -0.04 0.00 0.10 0.00 0.00 34.13 30.72 2bkd s GLU 95 CO 0.01 0.35 0.22 0.71 0.02 0.00 0.00 175.26 176.57 2bkd s TYR 96 N 0.22 3.63 -0.04 1.61 1.51 -1.13 -0.79 117.35 122.36 2bkd s TYR 96 Ca 0.08 0.66 -0.04 0.00 -1.01 0.00 0.00 57.07 56.76 2bkd s TYR 96 Cb -0.11 -2.04 -0.04 0.00 -0.11 0.00 0.00 41.96 39.66 2bkd s TYR 96 CO -0.01 0.71 0.18 0.00 -1.11 0.00 0.00 175.55 175.31 2bkd s ALA 97 N -1.06 3.93 0.00 3.71 0.00 -1.12 -4.68 121.76 122.54 2bkd s ALA 97 Ca 0.18 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.43 2bkd s ALA 97 Cb -0.13 -1.92 0.00 0.00 0.00 0.00 0.00 23.12 21.07 2bkd s ALA 97 CO 0.07 0.70 0.00 0.00 0.00 0.00 0.00 175.76 176.54 2bkd n ALA 98 N 1.27 0.00 -2.34 0.00 0.00 -1.26 -4.74 120.51 113.43 2bkd n ALA 98 Ca -0.14 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 52.90 2bkd n ALA 98 Cb 0.53 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.94 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 2.79 -0.24 -4.27 0.00 9.92 -1.26 -2.15 116.55 121.34 2bkd n ASP 100 Ca -0.01 -0.07 -0.31 0.00 -0.53 0.00 0.00 54.79 53.87 2bkd n ASP 100 Cb 0.50 -0.42 -0.08 0.00 -0.64 0.00 0.00 41.12 40.48 2bkd n ASP 100 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2bkd n ALA 101 N 4.69 -1.90 -2.51 2.24 0.00 -1.26 -4.98 120.51 116.80 2bkd n ALA 101 Ca 0.37 -0.35 -0.29 0.00 0.00 0.00 0.00 53.44 53.17 2bkd n ALA 101 Cb 0.04 -1.20 -0.03 0.00 0.00 0.00 0.00 19.45 18.26 2bkd n ALA 101 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2bkd s THR 102 N -4.15 5.01 0.00 0.00 -4.23 -0.91 -5.09 115.64 106.27 2bkd s THR 102 Ca 0.11 0.08 0.00 0.00 -1.18 0.00 0.00 61.69 60.71 2bkd s THR 102 Cb -0.07 -3.73 0.00 0.00 1.34 0.00 0.00 72.50 70.05 2bkd s THR 102 CO 0.98 -0.32 0.00 -1.22 -0.54 0.00 0.00 174.62 173.52 2bkd n TYR 103 N -0.92 0.00 -3.50 3.99 4.01 -1.26 -4.84 117.16 114.64 2bkd n TYR 103 Ca -0.02 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.35 2bkd n TYR 103 Cb 0.54 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.50 2bkd n TYR 103 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2bkd s ASN 104 N 1.00 6.61 -0.02 7.72 2.20 -1.26 -2.82 114.94 128.37 2bkd s ASN 104 Ca 0.00 0.73 0.07 0.00 -0.94 0.00 0.00 52.86 52.72 2bkd s ASN 104 Cb 0.00 -2.22 -0.02 0.00 -2.00 0.00 0.00 41.25 37.01 2bkd s ASN 104 CO 0.00 0.18 -0.24 -0.70 -2.94 0.00 0.00 177.10 173.40 2bkd s GLU 105 N -0.13 1.93 -0.20 3.55 2.56 0.88 -4.94 118.70 122.35 2bkd s GLU 105 Ca 0.21 -0.85 -0.17 0.00 0.00 0.00 0.00 54.97 54.16 2bkd s GLU 105 Cb -0.15 -1.87 -0.04 0.00 2.00 0.00 0.00 34.13 34.08 2bkd s GLU 105 CO 0.08 0.51 0.44 0.96 -0.56 0.00 0.00 175.26 176.70 2bkd s ILE 106 N -0.56 5.17 0.03 -3.70 -4.36 -1.26 -1.31 121.20 115.21 2bkd s ILE 106 Ca 0.09 0.80 0.01 0.00 -0.26 0.00 0.00 60.65 61.29 2bkd s ILE 106 Cb -0.09 -3.77 -0.02 0.00 1.25 0.00 0.00 42.46 39.83 2bkd s ILE 106 CO -0.01 0.23 -0.06 -0.69 0.24 0.00 0.00 174.94 174.65 2bkd s VAL 107 N 1.41 0.35 -0.01 8.37 1.01 -0.44 -5.01 120.40 126.08 2bkd s VAL 107 Ca 0.21 -1.00 -0.08 0.00 0.00 0.00 0.00 61.98 61.10 2bkd s VAL 107 Cb -0.15 -0.45 -0.05 0.00 0.00 0.00 0.00 36.38 35.73 2bkd s VAL 107 CO 0.09 -0.43 0.29 -0.89 0.00 0.00 0.00 175.10 174.15 2bkd s THR 108 N -1.41 5.27 0.10 3.92 2.01 -1.26 -0.99 115.64 123.27 2bkd s THR 108 Ca -0.13 0.32 -0.01 0.00 0.31 0.00 0.00 61.69 62.18 2bkd s THR 108 Cb -0.10 -3.57 0.15 0.00 0.01 0.00 0.00 72.50 68.99 2bkd s THR 108 CO -0.00 0.44 0.52 0.00 -0.69 0.00 0.00 174.62 174.89 2bkd n ILE 109 N 1.36 -0.14 0.25 1.82 0.13 -0.14 -1.82 119.36 120.82 2bkd n ILE 109 Ca -0.13 0.76 0.13 0.00 -1.10 0.00 0.00 62.75 62.41 2bkd n ILE 109 Cb 0.53 -1.07 0.64 0.00 -0.84 0.00 0.00 39.64 38.90 2bkd n ILE 109 CO 0.00 0.00 0.00 1.05 2.80 0.00 0.00 176.55 180.40 2bkd h GLU 110 N 0.00 0.00 -0.01 9.51 4.11 -1.95 -2.69 114.58 123.54 2bkd h GLU 110 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.61 2bkd h GLU 110 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2bkd h GLU 110 CO -0.33 0.13 -0.19 0.54 0.07 0.00 0.00 179.01 179.23 2bkd n ARG 111 N -3.38 1.14 -4.08 1.06 1.74 -0.75 -4.88 116.66 107.50 2bkd n ARG 111 Ca -0.01 -0.70 -0.31 0.00 -0.77 0.00 0.00 57.85 56.06 2bkd n ARG 111 Cb 0.32 -1.49 -0.07 0.00 -1.02 0.00 0.00 32.46 30.21 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 -2.34 3.83 0.29 0.55 1.43 -1.02 -2.37 118.68 119.05 2bkd s LEU 112 Ca 0.28 0.05 0.05 0.00 -1.03 0.00 0.00 54.13 53.49 2bkd s LEU 112 Cb 0.20 -2.39 -0.06 0.00 0.03 0.00 0.00 46.19 43.97 2bkd s LEU 112 CO 0.46 0.21 -0.01 -0.13 0.23 0.00 0.00 176.35 177.11 2bkd s ARG 113 N -2.11 1.58 0.00 1.70 1.81 0.08 -4.95 118.95 117.06 2bkd s ARG 113 Ca 0.27 -1.83 0.00 0.00 -1.72 0.00 0.00 55.73 52.45 2bkd s ARG 113 Cb -0.12 -1.04 0.00 0.00 -0.45 0.00 0.00 34.95 33.34 2bkd s ARG 113 CO 0.19 -0.05 0.00 0.45 -0.68 0.00 0.00 175.30 175.21 2bkd n SER 114 N -0.62 0.00 -4.76 0.23 2.88 -1.26 -1.62 113.62 108.47 2bkd n SER 114 Ca -0.04 -0.98 -0.41 0.00 -1.33 0.00 0.00 58.87 56.10 2bkd n SER 114 Cb 0.65 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.09 2bkd n SER 114 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2bkd s VAL 115 N -0.23 2.55 -0.48 2.46 0.11 -1.26 -3.84 120.40 119.71 2bkd s VAL 115 Ca 0.00 0.51 -0.12 0.00 -2.93 0.00 0.00 61.98 59.44 2bkd s VAL 115 Cb 0.00 -3.33 0.10 0.00 -1.53 0.00 0.00 36.38 31.63 2bkd s VAL 115 CO 0.00 0.10 0.38 0.21 -3.33 0.00 0.00 175.10 172.46 2bkd s ASN 116 N -0.02 5.91 -1.14 3.54 3.84 -1.26 -4.98 114.94 120.83 2bkd s ASN 116 Ca 0.55 -1.66 -0.19 0.00 0.21 0.00 0.00 52.86 51.77 2bkd s ASN 116 Cb -0.42 -2.09 -0.05 0.00 -0.55 0.00 0.00 41.25 38.14 2bkd s ASN 116 CO 0.50 -0.69 2.02 -0.81 -2.79 0.00 0.00 177.10 175.33 2bkd n PRO 117 N 5.06 2.22 -2.34 0.43 -0.04 -1.26 -4.95 135.00 134.12 2bkd n PRO 117 Ca -0.11 -2.37 -0.33 0.00 -0.04 0.00 0.00 63.50 60.65 2bkd n PRO 117 Cb 0.42 -3.22 -0.02 0.00 -0.04 0.00 0.00 33.50 30.64 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 4.41 6.27 -0.02 3.54 4.22 -1.26 -4.92 114.94 127.18 2bkd s ASN 118 Ca 0.54 1.75 -0.14 0.00 -2.14 0.00 0.00 52.86 52.88 2bkd s ASN 118 Cb 0.11 -2.53 -0.05 0.00 1.28 0.00 0.00 41.25 40.06 2bkd s ASN 118 CO 0.04 -0.83 0.38 -0.54 -2.04 0.00 0.00 177.10 174.12 2bkd s LYS 119 N -3.80 3.89 0.96 3.55 1.02 -0.81 -4.89 119.74 119.67 2bkd s LYS 119 Ca 0.63 0.36 -0.16 0.00 0.02 0.00 0.00 55.97 56.82 2bkd s LYS 119 Cb -0.14 -3.23 0.20 0.00 -0.52 0.00 0.00 37.83 34.14 2bkd s LYS 119 CO 0.29 0.68 1.31 -1.25 -0.92 0.00 0.00 175.35 175.46 2bkd s PRO 120 N -1.01 0.65 0.16 -1.68 0.04 -1.26 -0.90 135.00 131.01 2bkd s PRO 120 Ca 0.23 -0.37 0.01 0.00 0.04 0.00 0.00 61.00 60.90 2bkd s PRO 120 Cb -0.16 -1.84 0.03 0.00 0.04 0.00 0.00 34.50 32.56 2bkd s PRO 120 CO 0.12 -2.41 0.22 0.00 0.04 0.00 0.00 177.00 174.98 2bkd n ALA 121 N -3.77 0.16 -1.56 8.56 0.00 -1.24 -4.05 120.51 118.60 2bkd n ALA 121 Ca 0.15 -0.50 -0.01 0.00 0.00 0.00 0.00 53.44 53.09 2bkd n ALA 121 Cb 0.59 0.11 -0.00 0.00 0.00 0.00 0.00 19.45 20.15 2bkd n ALA 121 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2bkd n THR 122 N -1.55 -5.90 0.00 0.00 -2.24 -1.26 -4.52 114.28 98.80 2bkd n THR 122 Ca 0.04 1.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.83 2bkd n THR 122 Cb 0.15 -4.16 0.00 0.00 -2.10 0.00 0.00 70.33 64.22 2bkd n THR 122 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2bkd n LYS 123 N 0.59 0.00 0.24 -0.78 0.00 -1.26 -4.32 118.16 112.63 2bkd n LYS 123 Ca -0.04 0.00 0.07 0.00 0.00 0.00 0.00 58.31 58.34 2bkd n LYS 123 Cb 0.06 0.00 0.59 0.00 0.00 0.00 0.00 35.03 35.68 2bkd n LYS 123 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 2bkd h ASP 124 N 0.00 0.00 0.55 3.14 1.82 -1.89 -1.84 116.42 118.20 2bkd h ASP 124 Ca 0.00 0.00 -0.04 0.00 -0.39 0.00 0.00 57.03 56.60 2bkd h ASP 124 Cb 0.00 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.00 2bkd h ASP 124 CO 0.00 0.12 -0.21 0.74 -1.61 0.00 0.00 179.24 178.29 2bkd h THR 125 N 0.00 0.70 -0.26 2.25 2.02 -1.75 -3.43 112.91 112.44 2bkd h THR 125 Ca -0.00 -0.88 -0.19 0.00 0.77 0.00 0.00 66.41 66.10 2bkd h THR 125 Cb 0.23 1.55 -0.07 0.00 -1.74 0.00 0.00 68.15 68.12 2bkd h THR 125 CO 0.02 0.20 0.05 0.49 0.37 0.00 0.00 175.52 176.65 2bkd n PHE 126 N -3.64 0.58 0.00 3.16 3.01 -0.69 -5.03 117.46 114.85 2bkd n PHE 126 Ca -0.01 -1.48 0.00 0.00 1.01 0.00 0.00 57.45 56.96 2bkd n PHE 126 Cb 0.34 -1.01 0.00 0.00 -0.01 0.00 0.00 39.48 38.80 2bkd n PHE 126 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 2bkd n LYS 128 N 1.40 0.00 -3.76 -1.08 0.00 -1.26 -5.15 118.16 108.31 2bkd n LYS 128 Ca 0.25 0.00 -0.36 0.00 0.00 0.00 0.00 58.31 58.19 2bkd n LYS 128 Cb 0.63 0.00 -0.11 0.00 0.00 0.00 0.00 35.03 35.55 2bkd n LYS 128 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2bkd s ILE 129 N 0.00 4.72 -0.08 3.15 1.01 -1.26 -5.09 121.20 123.66 2bkd s ILE 129 Ca 0.00 -0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.63 2bkd s ILE 129 Cb 0.00 -3.20 -0.03 0.00 0.01 0.00 0.00 42.46 39.24 2bkd s ILE 129 CO 0.00 0.34 -0.10 -0.75 0.00 0.00 0.00 174.94 174.43 2bkd s LYS 130 N 1.37 2.82 0.10 2.79 2.20 -1.26 -5.09 119.74 122.67 2bkd s LYS 130 Ca 0.06 -0.61 -0.31 0.00 -0.36 0.00 0.00 55.97 54.75 2bkd s LYS 130 Cb -0.15 -2.55 -0.09 0.00 -1.51 0.00 0.00 37.83 33.53 2bkd s LYS 130 CO 0.05 0.56 1.67 -1.17 -0.36 0.00 0.00 175.35 176.10 2bkd s LEU 131 N -0.54 4.37 -1.30 5.43 0.20 -1.26 -4.93 118.68 120.66 2bkd s LEU 131 Ca 0.08 2.56 -0.11 0.00 0.69 0.00 0.00 54.13 57.35 2bkd s LEU 131 Cb -0.12 -3.57 0.14 0.00 -0.43 0.00 0.00 46.19 42.22 2bkd s LEU 131 CO 0.02 -0.90 1.85 -0.90 -0.29 0.00 0.00 176.35 176.12 2bkd n ASP 132 N 5.31 4.92 -4.64 3.68 5.75 -1.26 -4.95 116.55 125.36 2bkd n ASP 132 Ca 0.16 -3.04 -0.40 0.00 -0.01 0.00 0.00 54.79 51.50 2bkd n ASP 132 Cb 0.40 -1.53 -0.07 0.00 -1.03 0.00 0.00 41.12 38.88 2bkd n ASP 132 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 2bkd s VAL 133 N 1.20 5.07 -2.00 2.12 -7.23 -1.26 -5.37 120.40 112.92 2bkd s VAL 133 Ca 0.42 0.97 0.32 0.00 -1.81 0.00 0.00 61.98 61.88 2bkd s VAL 133 Cb 0.08 -3.86 0.91 0.00 0.56 0.00 0.00 36.38 34.07 2bkd s VAL 133 CO -0.01 0.11 2.22 -0.81 -0.31 0.00 0.00 175.10 176.31