#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 3.95 0.25 0.03 2.56 -1.26 -4.79 118.70 119.44 2bkd s GLU 2 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.97 54.64 2bkd s GLU 2 Cb 0.00 -3.57 0.00 0.00 2.00 0.00 0.00 34.13 32.56 2bkd s GLU 2 CO 0.00 -0.10 0.00 0.39 -0.56 0.00 0.00 175.26 174.99 2bkd n GLU 3 N 4.79 -3.31 -3.71 4.30 -0.58 -1.26 -5.01 120.64 115.86 2bkd n GLU 3 Ca -0.15 2.40 -0.37 0.00 -0.42 0.00 0.00 57.16 58.62 2bkd n GLU 3 Cb 0.52 -2.64 -0.06 0.00 -0.57 0.00 0.00 31.44 28.68 2bkd n GLU 3 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2bkd s LEU 4 N -1.73 4.36 -0.06 -4.62 2.01 -1.26 -5.00 118.68 112.37 2bkd s LEU 4 Ca 0.00 0.56 -0.20 0.00 0.01 0.00 0.00 54.13 54.50 2bkd s LEU 4 Cb 0.00 -2.25 -0.05 0.00 0.01 0.00 0.00 46.19 43.91 2bkd s LEU 4 CO 0.00 0.30 0.56 0.68 1.01 0.00 0.00 176.35 178.90 2bkd s VAL 5 N -0.59 5.06 0.38 -1.59 -7.23 -1.26 -0.73 120.40 114.44 2bkd s VAL 5 Ca 0.16 1.15 0.05 0.00 -1.81 0.00 0.00 61.98 61.53 2bkd s VAL 5 Cb -0.13 -3.90 -0.06 0.00 0.56 0.00 0.00 36.38 32.85 2bkd s VAL 5 CO 0.05 0.35 0.04 0.54 -0.31 0.00 0.00 175.10 175.78 2bkd s VAL 6 N 0.30 1.40 -0.03 1.32 0.11 -0.25 -4.61 120.40 118.64 2bkd s VAL 6 Ca 0.30 -2.00 0.06 0.00 -2.93 0.00 0.00 61.98 57.41 2bkd s VAL 6 Cb -0.17 -2.75 -0.01 0.00 -1.53 0.00 0.00 36.38 31.92 2bkd s VAL 6 CO 0.14 0.00 -0.23 -1.83 -3.33 0.00 0.00 175.10 169.86 2bkd s GLU 7 N -3.81 2.05 0.21 1.54 -1.05 -0.76 -1.43 118.70 115.45 2bkd s GLU 7 Ca 0.32 -0.81 0.11 0.00 -0.15 0.00 0.00 54.97 54.44 2bkd s GLU 7 Cb 0.08 -1.87 -0.05 0.00 -0.44 0.00 0.00 34.13 31.85 2bkd s GLU 7 CO 0.15 0.42 -0.23 0.14 0.95 0.00 0.00 175.26 176.69 2bkd s VAL 8 N -0.34 2.36 0.25 1.83 -7.23 -0.67 -0.38 120.40 116.22 2bkd s VAL 8 Ca 0.03 -2.10 0.08 0.00 -1.81 0.00 0.00 61.98 58.19 2bkd s VAL 8 Cb -0.11 -2.15 -0.05 0.00 0.56 0.00 0.00 36.38 34.63 2bkd s VAL 8 CO 0.01 -0.17 -0.13 0.00 -0.31 0.00 0.00 175.10 174.50 2bkd s ARG 9 N -2.82 1.49 0.00 4.82 3.03 -0.19 -0.98 118.95 124.30 2bkd s ARG 9 Ca 0.22 -1.70 0.00 0.00 2.03 0.00 0.00 55.73 56.28 2bkd s ARG 9 Cb -0.07 -1.30 0.00 0.00 -1.03 0.00 0.00 34.95 32.54 2bkd s ARG 9 CO 0.11 0.17 0.00 0.41 -1.13 0.00 0.00 175.30 174.86 2bkd n GLY 10 N -0.51 -1.61 0.11 3.88 0.00 -1.26 -4.78 105.19 101.02 2bkd n GLY 10 Ca -0.06 0.53 -0.20 0.00 0.00 0.00 0.00 46.02 46.29 2bkd n GLY 10 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2bkd h SER 11 N 0.00 0.30 -4.32 1.61 0.87 -1.97 -3.45 113.55 106.59 2bkd h SER 11 Ca 0.00 -0.87 -0.50 0.00 -1.23 0.00 0.00 61.79 59.18 2bkd h SER 11 Cb 0.00 -0.10 0.10 0.00 -0.44 0.00 0.00 62.40 61.96 2bkd h SER 11 CO 0.00 1.42 0.36 0.21 -0.53 0.00 0.00 176.83 178.29 2bkd s ASN 12 N -6.85 5.05 -0.07 6.23 3.84 -1.26 -4.93 114.94 116.96 2bkd s ASN 12 Ca -0.19 1.47 0.02 0.00 0.21 0.00 0.00 52.86 54.38 2bkd s ASN 12 Cb 0.02 -2.29 0.17 0.00 -0.55 0.00 0.00 41.25 38.60 2bkd s ASN 12 CO 0.75 -1.63 0.94 0.61 -2.79 0.00 0.00 177.10 174.98 2bkd n GLY 13 N -2.10 2.10 0.00 1.21 0.00 -1.26 -4.82 105.19 100.33 2bkd n GLY 13 Ca 0.07 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.14 0.00 -2.22 4.61 0.00 -1.26 -4.76 120.51 117.02 2bkd n ALA 14 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.15 2bkd n ALA 14 Cb 0.57 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.96 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 -2.58 3.75 -0.04 0.00 0.40 -1.22 -4.08 117.98 114.21 2bkd s PHE 15 Ca 0.00 1.30 0.05 0.00 -0.60 0.00 0.00 56.93 57.68 2bkd s PHE 15 Cb 0.00 -2.53 -0.00 0.00 0.51 0.00 0.00 43.02 40.99 2bkd s PHE 15 CO 0.00 0.50 -0.18 1.52 0.70 0.00 0.00 175.22 177.76 2bkd s TYR 16 N -1.26 1.81 -0.09 0.36 1.13 -0.16 -3.97 117.35 115.17 2bkd s TYR 16 Ca 0.34 -0.52 -0.30 0.00 -1.41 0.00 0.00 57.07 55.19 2bkd s TYR 16 Cb -0.19 -1.21 -0.02 0.00 -1.10 0.00 0.00 41.96 39.44 2bkd s TYR 16 CO 0.20 -0.17 1.17 0.15 -2.51 0.00 0.00 175.55 174.39 2bkd s LYS 17 N -0.00 4.34 -0.09 -3.49 1.02 -0.95 -1.67 119.74 118.91 2bkd s LYS 17 Ca -0.03 1.61 -0.05 0.00 0.02 0.00 0.00 55.97 57.51 2bkd s LYS 17 Cb -0.12 -3.59 0.04 0.00 -0.52 0.00 0.00 37.83 33.64 2bkd s LYS 17 CO 0.02 -0.47 0.21 0.00 -0.92 0.00 0.00 175.35 174.20 2bkd s ALA 18 N 2.41 -0.48 -0.18 5.17 0.00 -0.51 -4.79 121.76 123.37 2bkd s ALA 18 Ca 0.54 0.82 -0.02 0.00 0.00 0.00 0.00 51.96 53.29 2bkd s ALA 18 Cb -0.23 -0.52 -0.01 0.00 0.00 0.00 0.00 23.12 22.37 2bkd s ALA 18 CO 0.19 -0.16 -0.08 -0.06 0.00 0.00 0.00 175.76 175.65 2bkd s PHE 19 N 0.93 2.91 0.01 0.00 0.08 0.28 -1.08 117.98 121.09 2bkd s PHE 19 Ca -0.07 -0.85 -0.30 0.00 0.12 0.00 0.00 56.93 55.83 2bkd s PHE 19 Cb -0.08 -2.00 -0.07 0.00 -0.57 0.00 0.00 43.02 40.30 2bkd s PHE 19 CO -0.06 -0.43 1.69 0.08 -0.10 0.00 0.00 175.22 176.41 2bkd s VAL 20 N 1.04 3.30 -0.16 -0.44 1.01 0.09 -0.74 120.40 124.50 2bkd s VAL 20 Ca -0.00 0.54 -0.14 0.00 0.00 0.00 0.00 61.98 62.38 2bkd s VAL 20 Cb -0.15 -3.35 -0.05 0.00 0.00 0.00 0.00 36.38 32.84 2bkd s VAL 20 CO -0.01 -0.03 -0.25 1.17 0.00 0.00 0.00 175.10 175.98 2bkd n LYS 21 N 6.57 0.49 -4.01 2.72 0.00 0.39 -4.06 118.16 120.26 2bkd n LYS 21 Ca 0.17 0.38 -0.08 0.00 0.00 0.00 0.00 58.31 58.79 2bkd n LYS 21 Cb 0.42 -1.57 -0.09 0.00 0.00 0.00 0.00 35.03 33.78 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 -5.89 0.36 -0.28 3.14 2.15 -0.94 -4.98 116.67 110.23 2bkd s ASP 22 Ca -0.22 -0.86 0.02 0.00 0.43 0.00 0.00 52.55 51.92 2bkd s ASP 22 Cb 0.03 0.24 0.08 0.00 -0.30 0.00 0.00 42.92 42.97 2bkd s ASP 22 CO 0.33 -0.62 -0.02 0.68 -0.17 0.00 0.00 175.17 175.37 2bkd s VAL 23 N -3.76 1.74 0.00 1.11 -7.23 -1.26 -0.75 120.40 110.24 2bkd s VAL 23 Ca 0.05 -1.60 0.00 0.00 -1.81 0.00 0.00 61.98 58.62 2bkd s VAL 23 Cb 0.06 -2.09 0.00 0.00 0.56 0.00 0.00 36.38 34.91 2bkd s VAL 23 CO -0.10 -0.29 0.00 -0.62 -0.31 0.00 0.00 175.10 173.78 2bkd n GLU 25 N 4.55 -1.31 -1.97 4.82 1.02 -1.26 -4.90 120.64 121.59 2bkd n GLU 25 Ca -0.07 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 56.95 2bkd n GLU 25 Cb 0.43 -2.96 -0.02 0.00 -0.02 0.00 0.00 31.44 28.87 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 0.08 -4.08 -1.82 1.62 -0.08 -1.26 -4.97 116.55 106.04 2bkd n ASP 26 Ca 0.00 0.08 -0.05 0.00 -1.51 0.00 0.00 54.79 53.31 2bkd n ASP 26 Cb 0.13 -3.10 -0.00 0.00 2.34 0.00 0.00 41.12 40.48 2bkd n ASP 26 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2bkd n SER 27 N -0.24 -0.75 -4.20 1.67 7.64 -1.26 -4.78 113.62 111.69 2bkd n SER 27 Ca -0.14 -1.76 -0.31 0.00 1.01 0.00 0.00 58.87 57.67 2bkd n SER 27 Cb 0.55 1.32 -0.17 0.00 -1.01 0.00 0.00 64.21 64.90 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 -2.61 1.96 -0.24 0.44 2.07 -0.52 -4.37 121.20 117.94 2bkd s ILE 28 Ca 0.10 -0.97 -0.07 0.00 -1.41 0.00 0.00 60.65 58.30 2bkd s ILE 28 Cb -0.01 -1.70 -0.03 0.00 0.13 0.00 0.00 42.46 40.86 2bkd s ILE 28 CO 0.07 0.54 0.06 -0.89 -1.91 0.00 0.00 174.94 172.81 2bkd s THR 29 N 0.31 4.23 -0.05 4.00 2.01 0.07 -1.11 115.64 125.11 2bkd s THR 29 Ca -0.17 -0.20 -0.03 0.00 0.31 0.00 0.00 61.69 61.61 2bkd s THR 29 Cb -0.17 -2.97 0.02 0.00 0.01 0.00 0.00 72.50 69.39 2bkd s THR 29 CO 0.08 0.35 0.11 0.68 -0.69 0.00 0.00 174.62 175.15 2bkd s VAL 30 N 1.53 -0.03 -0.10 3.82 -7.23 -0.35 -0.46 120.40 117.58 2bkd s VAL 30 Ca 0.06 0.10 0.03 0.00 -1.81 0.00 0.00 61.98 60.36 2bkd s VAL 30 Cb -0.15 -0.18 -0.01 0.00 0.56 0.00 0.00 36.38 36.61 2bkd s VAL 30 CO 0.03 0.04 -0.20 0.00 -0.31 0.00 0.00 175.10 174.66 2bkd s ALA 31 N 0.64 2.35 0.03 1.32 0.00 0.09 -2.80 121.76 123.39 2bkd s ALA 31 Ca -0.05 -0.95 -0.01 0.00 0.00 0.00 0.00 51.96 50.95 2bkd s ALA 31 Cb -0.07 -0.94 -0.04 0.00 0.00 0.00 0.00 23.12 22.07 2bkd s ALA 31 CO -0.03 0.31 0.17 -0.06 0.00 0.00 0.00 175.76 176.15 2bkd s PHE 32 N 0.22 3.48 -1.15 0.00 0.08 -1.26 -0.56 117.98 118.78 2bkd s PHE 32 Ca -0.12 0.28 -0.09 0.00 0.12 0.00 0.00 56.93 57.11 2bkd s PHE 32 Cb -0.16 -1.77 -0.14 0.00 -0.57 0.00 0.00 43.02 40.37 2bkd s PHE 32 CO 0.07 0.60 3.16 -1.91 -0.10 0.00 0.00 175.22 177.04 2bkd n GLU 33 N 0.68 3.20 -0.08 0.44 2.13 -1.26 -4.66 120.64 121.09 2bkd n GLU 33 Ca -0.09 -1.84 0.00 0.00 0.66 0.00 0.00 57.16 55.89 2bkd n GLU 33 Cb 0.52 -2.56 0.00 0.00 0.27 0.00 0.00 31.44 29.67 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 3.26 0.00 -0.26 4.31 4.05 -1.26 -4.84 115.26 120.52 2bkd n ASN 34 Ca 0.68 0.00 -0.02 0.00 0.45 0.00 0.00 54.58 55.69 2bkd n ASN 34 Cb 0.43 -0.72 0.09 0.00 1.23 0.00 0.00 39.78 40.81 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 0.00 0.73 0.00 1.20 -1.24 -1.97 -3.34 115.58 110.96 2bkd h ASN 35 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.02 2bkd h ASN 35 Cb 0.00 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 38.90 2bkd h ASN 35 CO 0.00 0.49 0.00 -2.67 -1.29 0.00 0.00 177.43 173.96 2bkd n TRP 36 N -4.67 0.00 -3.87 0.67 4.27 -1.26 -5.10 117.44 107.49 2bkd n TRP 36 Ca 0.09 0.00 -0.07 0.00 -3.89 0.00 0.00 57.50 53.62 2bkd n TRP 36 Cb 0.11 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.04 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 -0.44 1.80 0.00 -2.67 1.03 -1.26 -5.10 119.66 113.02 2bkd s GLN 37 Ca 0.00 -1.03 0.00 0.00 0.04 0.00 0.00 55.36 54.37 2bkd s GLN 37 Cb 0.00 0.60 0.00 0.00 0.03 0.00 0.00 33.01 33.64 2bkd s GLN 37 CO 0.00 -0.82 0.05 -0.35 -2.54 0.00 0.00 175.29 171.63 2bkd n PRO 38 N -0.46 0.00 -3.52 9.60 -0.04 -1.26 -4.29 135.00 135.02 2bkd n PRO 38 Ca -0.04 0.47 -0.16 0.00 -0.04 0.00 0.00 63.50 63.73 2bkd n PRO 38 Cb 0.59 -1.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.00 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 -2.83 -0.59 0.05 3.54 2.15 -1.26 -4.72 116.67 113.01 2bkd s ASP 39 Ca 0.00 0.60 -0.08 0.00 0.43 0.00 0.00 52.55 53.50 2bkd s ASP 39 Cb 0.00 0.50 -0.00 0.00 -0.30 0.00 0.00 42.92 43.11 2bkd s ASP 39 CO 0.00 -0.58 0.15 -0.60 -0.17 0.00 0.00 175.17 173.97 2bkd s ARG 40 N -1.38 0.69 -0.10 4.34 6.06 -1.12 -5.04 118.95 122.39 2bkd s ARG 40 Ca -0.08 -0.77 0.03 0.00 -2.50 0.00 0.00 55.73 52.41 2bkd s ARG 40 Cb -0.00 0.28 0.01 0.00 0.06 0.00 0.00 34.95 35.29 2bkd s ARG 40 CO 0.07 -0.19 -0.21 -1.14 -2.50 0.00 0.00 175.30 171.32 2bkd s GLN 41 N -2.93 2.74 0.03 5.12 0.74 -1.26 -1.22 119.66 122.87 2bkd s GLN 41 Ca -0.02 -0.77 0.09 0.00 0.05 0.00 0.00 55.36 54.71 2bkd s GLN 41 Cb 0.01 -2.13 -0.03 0.00 1.10 0.00 0.00 33.01 31.96 2bkd s GLN 41 CO -0.06 0.10 -0.25 0.42 -0.55 0.00 0.00 175.29 174.95 2bkd s ILE 42 N 0.53 2.03 0.61 -2.34 1.01 -0.27 -4.99 121.20 117.78 2bkd s ILE 42 Ca -0.15 -1.29 -0.16 0.00 0.00 0.00 0.00 60.65 59.05 2bkd s ILE 42 Cb -0.17 -1.73 -0.02 0.00 0.01 0.00 0.00 42.46 40.55 2bkd s ILE 42 CO 0.05 0.39 1.09 -2.16 0.00 0.00 0.00 174.94 174.31 2bkd s PRO 43 N -1.08 3.11 0.00 2.79 0.04 -1.26 -1.43 135.00 137.16 2bkd s PRO 43 Ca 0.11 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.48 2bkd s PRO 43 Cb -0.10 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.45 2bkd s PRO 43 CO 0.01 -1.00 0.00 1.19 0.04 0.00 0.00 177.00 177.25 2bkd n PHE 44 N -2.10 0.00 0.00 0.56 3.72 -1.26 -3.15 117.46 115.23 2bkd n PHE 44 Ca 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 2bkd n PHE 44 Cb 0.52 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 38.90 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 1.44 0.00 -4.84 4.37 8.00 -1.26 -3.40 116.55 120.86 2bkd n ASP 46 Ca 0.00 0.00 -0.37 0.00 0.71 0.00 0.00 54.79 55.13 2bkd n ASP 46 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 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 5.35 -0.10 2.53 1.01 -1.19 -1.02 120.40 126.98 2bkd s VAL 47 Ca 0.00 0.42 0.04 0.00 0.00 0.00 0.00 61.98 62.44 2bkd s VAL 47 Cb 0.00 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.87 2bkd s VAL 47 CO 0.00 0.57 -0.22 -0.60 0.00 0.00 0.00 175.10 174.85 2bkd s ARG 48 N -0.76 2.81 -0.16 2.72 3.52 0.49 -0.36 118.95 127.20 2bkd s ARG 48 Ca 0.17 -0.80 -0.24 0.00 -0.13 0.00 0.00 55.73 54.73 2bkd s ARG 48 Cb -0.13 -2.15 -0.02 0.00 -1.56 0.00 0.00 34.95 31.09 2bkd s ARG 48 CO 0.06 0.15 0.78 -0.06 -0.81 0.00 0.00 175.30 175.41 2bkd s PHE 49 N 0.42 3.43 0.89 5.12 0.40 -0.60 -1.83 117.98 125.80 2bkd s PHE 49 Ca -0.18 1.19 -0.12 0.00 -0.60 0.00 0.00 56.93 57.22 2bkd s PHE 49 Cb -0.18 -2.95 0.12 0.00 0.51 0.00 0.00 43.02 40.53 2bkd s PHE 49 CO 0.08 -0.19 1.14 -1.25 0.70 0.00 0.00 175.22 175.70 2bkd s PRO 50 N 1.95 1.34 1.05 0.24 0.04 -1.26 -4.42 135.00 133.93 2bkd s PRO 50 Ca 0.36 0.27 -0.16 0.00 0.04 0.00 0.00 61.00 61.52 2bkd s PRO 50 Cb -0.17 -1.86 0.22 0.00 0.04 0.00 0.00 34.50 32.73 2bkd s PRO 50 CO 0.13 -2.06 1.16 -1.25 0.04 0.00 0.00 177.00 175.02 2bkd s PRO 51 N -5.33 -0.03 0.00 0.56 0.04 -1.26 -5.03 135.00 123.95 2bkd s PRO 51 Ca 0.63 0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.71 2bkd s PRO 51 Cb -0.14 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.67 2bkd s PRO 51 CO 0.53 -2.93 0.00 -0.35 0.04 0.00 0.00 177.00 174.28 2bkd n PRO 52 N -4.23 0.00 -4.12 0.56 -0.04 -1.26 -5.08 135.00 120.83 2bkd n PRO 52 Ca 0.11 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.47 2bkd n PRO 52 Cb 0.59 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.96 2bkd n PRO 52 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2bkd s VAL 53 N 0.00 0.10 0.00 0.52 -7.23 -1.26 -5.07 120.40 107.47 2bkd s VAL 53 Ca 0.00 -1.83 0.00 0.00 -1.81 0.00 0.00 61.98 58.34 2bkd s VAL 53 Cb 0.00 -1.99 0.00 0.00 0.56 0.00 0.00 36.38 34.95 2bkd s VAL 53 CO 0.00 -0.47 0.00 0.61 -0.31 0.00 0.00 175.10 174.93 2bkd n GLY 54 N -0.10 1.76 1.30 2.32 0.00 -1.26 -5.01 105.19 104.20 2bkd n GLY 54 Ca -0.06 -0.25 0.03 0.00 0.00 0.00 0.00 46.02 45.73 2bkd n GLY 54 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2bkd n TYR 55 N 0.00 -3.55 -2.69 1.61 4.02 -1.26 -5.05 117.16 110.24 2bkd n TYR 55 Ca 0.00 1.93 -0.15 0.00 -0.01 0.00 0.00 57.90 59.67 2bkd n TYR 55 Cb 0.00 -3.09 0.07 0.00 -0.02 0.00 0.00 39.34 36.30 2bkd n TYR 55 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 2bkd n ASN 56 N -2.75 1.15 -3.73 7.72 4.13 -1.26 -5.12 115.26 115.40 2bkd n ASN 56 Ca -0.02 -1.91 -0.19 0.00 1.68 0.00 0.00 54.58 54.15 2bkd n ASN 56 Cb 0.44 -0.40 -0.17 0.00 -1.54 0.00 0.00 39.78 38.11 2bkd n ASN 56 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2bkd s LYS 57 N -4.16 0.07 0.00 3.52 1.02 -1.26 -4.79 119.74 114.15 2bkd s LYS 57 Ca 0.46 0.26 0.04 0.00 0.02 0.00 0.00 55.97 56.75 2bkd s LYS 57 Cb -0.03 -0.51 0.06 0.00 -0.52 0.00 0.00 37.83 36.83 2bkd s LYS 57 CO 0.30 -0.27 0.84 -3.47 -0.92 0.00 0.00 175.35 171.83 2bkd n ASP 58 N 4.88 -0.09 -4.77 2.83 -0.08 -1.26 -5.14 116.55 112.92 2bkd n ASP 58 Ca -0.12 -1.62 -0.39 0.00 -1.51 0.00 0.00 54.79 51.14 2bkd n ASP 58 Cb 0.50 -0.02 -0.02 0.00 2.34 0.00 0.00 41.12 43.92 2bkd n ASP 58 CO 0.00 0.00 0.00 -0.51 0.12 0.00 0.00 177.20 176.81 2bkd s ILE 59 N 0.00 2.99 0.00 5.18 2.07 -1.26 -4.93 121.20 125.25 2bkd s ILE 59 Ca 0.05 0.91 0.10 0.00 -1.41 0.00 0.00 60.65 60.29 2bkd s ILE 59 Cb 0.06 -3.54 0.16 0.00 0.13 0.00 0.00 42.46 39.27 2bkd s ILE 59 CO -0.03 0.14 0.99 -0.46 -1.91 0.00 0.00 174.94 173.68 2bkd n ASN 60 N 0.41 0.21 -3.93 4.50 0.23 -1.26 -5.05 115.26 110.36 2bkd n ASN 60 Ca 0.02 -1.86 -0.14 0.00 -0.53 0.00 0.00 54.58 52.08 2bkd n ASN 60 Cb 0.45 -0.13 -0.14 0.00 -2.08 0.00 0.00 39.78 37.88 2bkd n ASN 60 CO 0.00 0.00 0.00 -1.83 -0.93 0.00 0.00 177.26 174.50 2bkd s GLU 61 N 0.00 0.26 -1.04 -3.83 -1.05 -1.26 -5.09 118.70 106.69 2bkd s GLU 61 Ca 0.13 -0.17 -0.13 0.00 -0.15 0.00 0.00 54.97 54.65 2bkd s GLU 61 Cb 0.14 -0.22 0.22 0.00 -0.44 0.00 0.00 34.13 33.83 2bkd s GLU 61 CO -0.06 0.06 1.11 -1.54 0.95 0.00 0.00 175.26 175.77 2bkd s SER 62 N -0.23 7.04 0.00 0.83 1.04 -1.26 -4.89 113.70 116.23 2bkd s SER 62 Ca -0.00 -3.04 0.00 0.00 0.48 0.00 0.00 55.95 53.38 2bkd s SER 62 Cb -0.02 -2.28 0.00 0.00 0.10 0.00 0.00 66.02 63.82 2bkd s SER 62 CO -0.00 -0.56 0.00 -0.67 0.98 0.00 0.00 173.24 172.99 2bkd n ASP 63 N 4.17 0.00 -4.47 7.02 2.03 -1.26 -4.89 116.55 119.15 2bkd n ASP 63 Ca 0.24 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.24 2bkd n ASP 63 Cb 0.43 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.71 2bkd n ASP 63 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 2bkd s GLU 64 N 4.22 2.19 0.25 -0.67 -1.05 -1.26 -1.39 118.70 120.98 2bkd s GLU 64 Ca 0.00 -0.91 0.03 0.00 -0.15 0.00 0.00 54.97 53.93 2bkd s GLU 64 Cb 0.00 -2.25 -0.05 0.00 -0.44 0.00 0.00 34.13 31.39 2bkd s GLU 64 CO 0.00 0.56 0.04 0.14 0.95 0.00 0.00 175.26 176.95 2bkd s VAL 65 N -0.91 0.86 -0.11 1.83 -7.23 0.14 -4.09 120.40 110.88 2bkd s VAL 65 Ca 0.15 -2.01 0.01 0.00 -1.81 0.00 0.00 61.98 58.32 2bkd s VAL 65 Cb -0.11 -2.50 0.02 0.00 0.56 0.00 0.00 36.38 34.35 2bkd s VAL 65 CO 0.05 -0.17 -0.14 -1.61 -0.31 0.00 0.00 175.10 172.92 2bkd s GLU 66 N -3.93 2.13 -0.11 4.82 2.02 -0.62 -0.65 118.70 122.36 2bkd s GLU 66 Ca 0.33 -0.52 0.00 0.00 0.02 0.00 0.00 54.97 54.80 2bkd s GLU 66 Cb 0.07 -1.85 -0.02 0.00 0.10 0.00 0.00 34.13 32.43 2bkd s GLU 66 CO 0.11 -0.09 -0.12 0.14 0.02 0.00 0.00 175.26 175.32 2bkd s VAL 67 N 1.08 3.17 -0.50 2.63 -7.23 1.00 -0.97 120.40 119.57 2bkd s VAL 67 Ca -0.05 -0.64 -0.28 0.00 -1.81 0.00 0.00 61.98 59.21 2bkd s VAL 67 Cb -0.15 -2.32 -0.00 0.00 0.56 0.00 0.00 36.38 34.48 2bkd s VAL 67 CO -0.03 0.54 1.59 -0.31 -0.31 0.00 0.00 175.10 176.58 2bkd s TYR 68 N 0.08 2.07 0.04 2.82 2.02 -0.24 -0.75 117.35 123.39 2bkd s TYR 68 Ca -0.05 0.60 0.06 0.00 -0.37 0.00 0.00 57.07 57.31 2bkd s TYR 68 Cb -0.14 -4.26 -0.02 0.00 -0.40 0.00 0.00 41.96 37.13 2bkd s TYR 68 CO 0.04 -2.26 -0.16 -1.12 -1.57 0.00 0.00 175.55 170.49 2bkd s SER 69 N 5.49 1.89 -0.05 2.29 0.01 -1.26 -4.95 113.70 117.12 2bkd s SER 69 Ca 0.63 -0.48 -0.01 0.00 1.31 0.00 0.00 55.95 57.39 2bkd s SER 69 Cb -0.14 -0.13 -0.04 0.00 0.21 0.00 0.00 66.02 65.92 2bkd s SER 69 CO 0.27 0.07 0.04 0.00 0.41 0.00 0.00 173.24 174.03 2bkd s ARG 70 N -1.15 3.02 0.12 12.44 1.70 -1.26 -3.30 118.95 130.51 2bkd s ARG 70 Ca 0.03 -0.43 -0.28 0.00 -0.47 0.00 0.00 55.73 54.58 2bkd s ARG 70 Cb -0.08 -2.83 -0.08 0.00 -0.57 0.00 0.00 34.95 31.39 2bkd s ARG 70 CO 0.01 0.68 1.61 0.00 -1.08 0.00 0.00 175.30 176.53 2bkd h ALA 71 N 4.72 -0.54 -2.20 7.88 0.00 -1.84 -3.41 119.26 123.86 2bkd h ALA 71 Ca -0.51 -0.04 -0.50 0.00 0.00 0.00 0.00 54.91 53.86 2bkd h ALA 71 Cb 1.19 0.56 -0.14 0.00 0.00 0.00 0.00 17.79 19.40 2bkd h ALA 71 CO 0.57 -0.87 -0.74 0.54 0.00 0.00 0.00 179.25 178.76 2bkd s ASN 72 N -4.79 2.89 0.00 0.00 6.03 -1.26 -5.04 114.94 112.78 2bkd s ASN 72 Ca -0.16 -1.04 0.00 0.00 -1.03 0.00 0.00 52.86 50.63 2bkd s ASN 72 Cb 0.08 -0.19 0.00 0.00 -3.03 0.00 0.00 41.25 38.11 2bkd s ASN 72 CO 0.65 -0.12 0.09 -1.84 -2.03 0.00 0.00 177.10 173.84 2bkd n GLU 73 N -0.47 0.00 0.00 3.55 0.28 -1.26 -1.98 120.64 120.76 2bkd n GLU 73 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.93 2bkd n GLU 73 Cb 0.61 -1.40 0.00 0.00 1.43 0.00 0.00 31.44 32.08 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 -0.53 3.32 -3.88 3.44 5.02 -1.26 -5.04 118.16 119.24 2bkd n LYS 74 Ca 0.00 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.99 2bkd n LYS 74 Cb 0.09 -0.95 -0.15 0.00 -0.02 0.00 0.00 35.03 34.00 2bkd n LYS 74 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 2bkd s GLU 75 N -1.89 1.13 -0.48 1.97 2.12 -0.84 -5.08 118.70 115.65 2bkd s GLU 75 Ca 0.00 -1.40 -0.28 0.00 0.36 0.00 0.00 54.97 53.65 2bkd s GLU 75 Cb 0.00 -2.57 0.00 0.00 0.26 0.00 0.00 34.13 31.82 2bkd s GLU 75 CO 0.00 -0.92 1.56 -1.25 -0.54 0.00 0.00 175.26 174.10 2bkd s PRO 76 N 1.29 3.29 -0.28 4.30 0.04 -1.26 -2.75 135.00 139.64 2bkd s PRO 76 Ca 0.09 0.82 0.16 0.00 0.04 0.00 0.00 61.00 62.10 2bkd s PRO 76 Cb -0.18 -4.15 0.41 0.00 0.04 0.00 0.00 34.50 30.62 2bkd s PRO 76 CO -0.16 -1.92 1.36 0.00 0.04 0.00 0.00 177.00 176.32 2bkd n TRP 79 N -0.81 0.00 -3.86 0.00 -0.00 -1.21 -4.02 117.44 107.55 2bkd n TRP 79 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 57.50 57.27 2bkd n TRP 79 Cb 0.00 -1.01 -0.04 0.00 -0.00 0.00 0.00 31.31 30.26 2bkd n TRP 79 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 177.69 176.11 2bkd s TRP 80 N 0.00 2.45 -0.04 5.87 0.52 0.07 -3.39 118.94 124.42 2bkd s TRP 80 Ca 0.00 -0.60 0.06 0.00 0.02 0.00 0.00 56.10 55.58 2bkd s TRP 80 Cb 0.00 -2.03 -0.01 0.00 -1.15 0.00 0.00 33.47 30.27 2bkd s TRP 80 CO 0.00 -0.07 -0.23 -0.48 0.02 0.00 0.00 176.95 176.19 2bkd s LEU 81 N -4.07 2.03 0.07 2.99 -0.00 -1.26 -0.00 118.68 118.43 2bkd s LEU 81 Ca 0.42 -0.45 0.01 0.00 -0.00 0.00 0.00 54.13 54.12 2bkd s LEU 81 Cb -0.00 -1.23 -0.03 0.00 -0.00 0.00 0.00 46.19 44.93 2bkd s LEU 81 CO 0.24 0.24 -0.06 0.00 -0.00 0.00 0.00 176.35 176.77 2bkd s ALA 82 N -0.28 0.72 -0.13 1.48 0.00 0.18 -3.43 121.76 120.29 2bkd s ALA 82 Ca 0.01 -1.07 -0.00 0.00 0.00 0.00 0.00 51.96 50.90 2bkd s ALA 82 Cb -0.11 0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.12 2bkd s ALA 82 CO 0.02 -0.17 -0.13 0.15 0.00 0.00 0.00 175.76 175.63 2bkd s LYS 83 N -2.86 3.38 -0.16 0.00 -0.14 0.47 -0.69 119.74 119.73 2bkd s LYS 83 Ca 0.01 -0.69 -0.16 0.00 -1.36 0.00 0.00 55.97 53.78 2bkd s LYS 83 Cb -0.01 -2.64 -0.04 0.00 -1.68 0.00 0.00 37.83 33.45 2bkd s LYS 83 CO -0.03 0.19 0.39 0.08 -0.76 0.00 0.00 175.35 175.22 2bkd s VAL 84 N 0.40 5.23 -0.16 3.17 1.01 -0.49 -0.36 120.40 129.20 2bkd s VAL 84 Ca -0.10 0.74 -0.18 0.00 0.00 0.00 0.00 61.98 62.44 2bkd s VAL 84 Cb -0.16 -3.73 -0.23 0.00 0.00 0.00 0.00 36.38 32.26 2bkd s VAL 84 CO 0.05 0.31 0.39 -0.09 0.00 0.00 0.00 175.10 175.76 2bkd h ARG 85 N 6.95 0.12 -2.80 2.72 2.43 -1.78 -3.42 114.38 118.60 2bkd h ARG 85 Ca -0.39 -0.21 -0.07 0.00 -0.81 0.00 0.00 59.98 58.50 2bkd h ARG 85 Cb 1.17 0.08 -0.17 0.00 -0.42 0.00 0.00 29.97 30.63 2bkd h ARG 85 CO 0.74 1.10 -0.01 0.00 -1.51 0.00 0.00 179.97 180.29 2bkd s MET 86 N -2.42 0.98 -0.14 0.20 0.23 -1.22 -4.99 119.30 111.94 2bkd s MET 86 Ca -0.24 -0.23 0.01 0.00 -1.03 0.00 0.00 55.69 54.20 2bkd s MET 86 Cb 0.05 0.45 -0.00 0.00 -1.53 0.00 0.00 34.83 33.79 2bkd s MET 86 CO 0.68 -0.34 -0.17 0.42 -2.03 0.00 0.00 175.02 173.58 2bkd s ILE 87 N -2.29 2.59 -0.47 3.16 1.01 -1.26 -1.67 121.20 122.27 2bkd s ILE 87 Ca -0.06 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 59.81 2bkd s ILE 87 Cb -0.01 -2.08 0.14 0.00 0.01 0.00 0.00 42.46 40.52 2bkd s ILE 87 CO -0.01 0.52 0.25 -0.54 0.00 0.00 0.00 174.94 175.17 2bkd s LYS 88 N 0.71 1.47 0.00 2.79 1.02 0.04 -5.03 119.74 120.75 2bkd s LYS 88 Ca -0.08 -2.19 0.00 0.00 0.02 0.00 0.00 55.97 53.73 2bkd s LYS 88 Cb -0.16 -2.57 0.00 0.00 -0.52 0.00 0.00 37.83 34.58 2bkd s LYS 88 CO 0.01 -1.16 0.00 0.41 -0.92 0.00 0.00 175.35 173.70 2bkd n GLY 89 N 3.38 0.03 0.10 -3.33 0.00 -1.26 -1.14 105.19 102.97 2bkd n GLY 89 Ca 0.09 0.42 0.01 0.00 0.00 0.00 0.00 46.02 46.53 2bkd n GLY 89 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2bkd h GLU 90 N 0.00 0.00 -4.88 1.61 5.08 -1.98 -3.48 114.58 110.93 2bkd h GLU 90 Ca 0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.03 2bkd h GLU 90 Cb 0.00 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.04 2bkd h GLU 90 CO 0.00 0.31 -0.75 -0.06 -1.00 0.00 0.00 179.01 177.51 2bkd s PHE 91 N -2.95 0.89 -0.04 4.33 0.40 -0.29 -4.41 117.98 115.91 2bkd s PHE 91 Ca -0.02 -0.50 0.01 0.00 -0.60 0.00 0.00 56.93 55.82 2bkd s PHE 91 Cb 0.09 -0.52 0.02 0.00 0.51 0.00 0.00 43.02 43.12 2bkd s PHE 91 CO 0.80 -0.03 -0.03 0.71 0.70 0.00 0.00 175.22 177.37 2bkd s TYR 92 N -1.42 0.64 -0.25 0.36 1.51 -0.41 -0.78 117.35 117.00 2bkd s TYR 92 Ca -0.06 -0.16 -0.08 0.00 -1.01 0.00 0.00 57.07 55.76 2bkd s TYR 92 Cb -0.09 -0.61 -0.04 0.00 -0.11 0.00 0.00 41.96 41.11 2bkd s TYR 92 CO 0.01 -0.18 0.11 0.08 -1.11 0.00 0.00 175.55 174.46 2bkd s VAL 93 N 0.97 4.66 0.04 0.71 1.01 -0.67 -1.53 120.40 125.59 2bkd s VAL 93 Ca -0.10 -0.05 0.06 0.00 0.00 0.00 0.00 61.98 61.89 2bkd s VAL 93 Cb -0.14 -3.19 -0.02 0.00 0.00 0.00 0.00 36.38 33.03 2bkd s VAL 93 CO -0.00 0.32 -0.19 0.27 0.00 0.00 0.00 175.10 175.50 2bkd s ILE 94 N 1.54 1.48 -0.16 2.22 -0.00 -0.57 -2.29 121.20 123.43 2bkd s ILE 94 Ca 0.06 -1.09 -0.08 0.00 -0.00 0.00 0.00 60.65 59.55 2bkd s ILE 94 Cb -0.15 -1.29 -0.04 0.00 -0.00 0.00 0.00 42.46 40.97 2bkd s ILE 94 CO 0.06 0.17 0.10 -1.61 -0.00 0.00 0.00 174.94 173.66 2bkd s GLU 95 N -1.07 3.78 -0.01 0.37 2.02 0.51 -1.21 118.70 123.08 2bkd s GLU 95 Ca 0.06 -0.24 -0.03 0.00 0.02 0.00 0.00 54.97 54.78 2bkd s GLU 95 Cb -0.08 -3.23 -0.04 0.00 0.10 0.00 0.00 34.13 30.87 2bkd s GLU 95 CO 0.01 0.49 0.19 0.71 0.02 0.00 0.00 175.26 176.68 2bkd s TYR 96 N -0.21 3.55 -0.39 1.61 2.02 -1.26 -0.40 117.35 122.28 2bkd s TYR 96 Ca 0.09 0.38 -0.21 0.00 -0.37 0.00 0.00 57.07 56.96 2bkd s TYR 96 Cb -0.12 -1.84 0.01 0.00 -0.40 0.00 0.00 41.96 39.61 2bkd s TYR 96 CO 0.01 0.64 0.66 0.00 -1.57 0.00 0.00 175.55 175.29 2bkd s ALA 97 N -1.33 3.41 0.00 3.71 0.00 -1.22 -4.77 121.76 121.55 2bkd s ALA 97 Ca 0.27 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.27 2bkd s ALA 97 Cb -0.13 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.74 2bkd s ALA 97 CO 0.19 -1.54 0.00 0.00 0.00 0.00 0.00 175.76 174.41 2bkd n ALA 98 N 6.20 1.37 -3.00 0.00 0.00 -1.26 -4.85 120.51 118.96 2bkd n ALA 98 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 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 h ASP 100 N 0.00 0.29 0.00 0.00 2.03 -2.02 -3.41 116.42 113.31 2bkd h ASP 100 Ca 0.00 -0.81 0.00 0.00 -0.73 0.00 0.00 57.03 55.49 2bkd h ASP 100 Cb 0.00 -0.09 0.00 0.00 -0.83 0.00 0.00 39.33 38.41 2bkd h ASP 100 CO 0.00 1.06 0.00 0.00 -1.03 0.00 0.00 179.24 179.27 2bkd n ALA 101 N -2.56 -0.04 -0.63 4.15 0.00 -1.26 -5.01 120.51 115.15 2bkd n ALA 101 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.34 2bkd n ALA 101 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 2bkd n ALA 101 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2bkd n THR 102 N -1.16 0.00 -3.41 0.00 -1.04 -1.26 -4.93 114.28 102.48 2bkd n THR 102 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2bkd n THR 102 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2bkd n THR 102 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2bkd n TYR 103 N 14.00 -0.27 -4.23 -1.42 9.36 -1.26 -5.07 117.16 128.27 2bkd n TYR 103 Ca 0.00 0.00 -0.34 0.00 3.32 0.00 0.00 57.90 60.88 2bkd n TYR 103 Cb 0.00 0.00 -0.12 0.00 -0.63 0.00 0.00 39.34 38.59 2bkd n TYR 103 CO 0.00 0.00 0.00 -0.80 0.22 0.00 0.00 176.86 176.28 2bkd s ASN 104 N -0.28 4.84 -0.03 2.98 0.01 -1.26 -4.15 114.94 117.05 2bkd s ASN 104 Ca 0.00 -0.15 0.07 0.00 -0.71 0.00 0.00 52.86 52.06 2bkd s ASN 104 Cb 0.00 -1.81 -0.01 0.00 0.41 0.00 0.00 41.25 39.84 2bkd s ASN 104 CO 0.00 0.12 -0.24 -0.70 -1.51 0.00 0.00 177.10 174.77 2bkd s GLU 105 N 0.66 2.14 -0.21 -0.60 2.56 -0.35 -5.00 118.70 117.89 2bkd s GLU 105 Ca -0.01 -0.85 -0.11 0.00 0.00 0.00 0.00 54.97 54.00 2bkd s GLU 105 Cb -0.14 -1.95 -0.05 0.00 2.00 0.00 0.00 34.13 33.99 2bkd s GLU 105 CO 0.02 0.44 0.17 0.96 -0.56 0.00 0.00 175.26 176.29 2bkd s ILE 106 N -0.36 5.38 0.22 -3.70 -4.36 -1.26 -1.52 121.20 115.59 2bkd s ILE 106 Ca 0.03 0.24 0.01 0.00 -0.26 0.00 0.00 60.65 60.67 2bkd s ILE 106 Cb -0.11 -3.51 -0.05 0.00 1.25 0.00 0.00 42.46 40.05 2bkd s ILE 106 CO 0.01 0.40 0.09 -0.69 0.24 0.00 0.00 174.94 174.98 2bkd s VAL 107 N 0.63 0.39 0.39 8.37 1.01 -0.58 -5.00 120.40 125.62 2bkd s VAL 107 Ca 0.09 -1.99 0.08 0.00 0.00 0.00 0.00 61.98 60.16 2bkd s VAL 107 Cb -0.12 -2.47 -0.08 0.00 0.00 0.00 0.00 36.38 33.71 2bkd s VAL 107 CO 0.01 -0.12 -0.02 0.28 0.00 0.00 0.00 175.10 175.26 2bkd s THR 108 N -3.87 2.05 0.62 3.92 -1.32 -1.26 -1.29 115.64 114.49 2bkd s THR 108 Ca 0.35 -2.06 0.32 0.00 -1.21 0.00 0.00 61.69 59.09 2bkd s THR 108 Cb 0.07 -2.90 0.37 0.00 -1.51 0.00 0.00 72.50 68.53 2bkd s THR 108 CO 0.11 -0.06 2.11 -0.29 -2.21 0.00 0.00 174.62 174.28 2bkd h ILE 109 N 1.84 0.29 -0.89 5.08 6.09 -1.91 -3.00 117.51 125.01 2bkd h ILE 109 Ca -0.43 0.00 0.24 0.00 -1.37 0.00 0.00 64.86 63.30 2bkd h ILE 109 Cb 1.24 0.83 -0.15 0.00 0.47 0.00 0.00 36.82 39.21 2bkd h ILE 109 CO 0.78 0.00 0.15 -0.08 -3.07 0.00 0.00 178.15 175.93 2bkd h GLU 110 N 0.00 0.12 -0.26 2.19 4.81 -1.96 -2.03 114.58 117.44 2bkd h GLU 110 Ca 0.06 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 2bkd h GLU 110 Cb 0.46 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.81 2bkd h GLU 110 CO -0.00 0.08 0.00 0.54 -0.73 0.00 0.00 179.01 178.90 2bkd n ARG 111 N -5.33 2.88 -4.57 1.92 1.74 -1.13 -4.94 116.66 107.23 2bkd n ARG 111 Ca 0.21 -2.74 -0.31 0.00 -0.77 0.00 0.00 57.85 54.24 2bkd n ARG 111 Cb 0.70 -1.77 -0.17 0.00 -1.02 0.00 0.00 32.46 30.20 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 -2.61 2.00 0.33 0.55 1.43 -0.77 -1.08 118.68 118.54 2bkd s LEU 112 Ca 0.40 -0.56 0.10 0.00 -1.03 0.00 0.00 54.13 53.03 2bkd s LEU 112 Cb 0.31 -1.35 -0.06 0.00 0.03 0.00 0.00 46.19 45.12 2bkd s LEU 112 CO 0.09 0.06 -0.11 -0.13 0.23 0.00 0.00 176.35 176.49 2bkd s ARG 113 N 0.90 1.77 0.95 1.70 1.81 -0.15 -4.91 118.95 121.02 2bkd s ARG 113 Ca -0.06 -1.89 -0.12 0.00 -1.72 0.00 0.00 55.73 51.94 2bkd s ARG 113 Cb -0.15 -1.67 0.16 0.00 -0.45 0.00 0.00 34.95 32.84 2bkd s ARG 113 CO -0.03 0.17 1.09 -1.12 -0.68 0.00 0.00 175.30 174.73 2bkd s SER 114 N -3.57 2.91 0.30 0.23 0.01 -1.26 -1.59 113.70 110.73 2bkd s SER 114 Ca 0.32 1.58 -0.29 0.00 1.31 0.00 0.00 55.95 58.87 2bkd s SER 114 Cb 0.01 -2.24 -0.11 0.00 0.21 0.00 0.00 66.02 63.90 2bkd s SER 114 CO 0.16 -3.01 1.45 0.54 0.41 0.00 0.00 173.24 172.79 2bkd s VAL 115 N -2.81 2.42 -0.51 3.43 0.11 -1.26 -4.12 120.40 117.67 2bkd s VAL 115 Ca 0.65 0.38 -0.19 0.00 -2.93 0.00 0.00 61.98 59.89 2bkd s VAL 115 Cb -0.20 -3.24 0.06 0.00 -1.53 0.00 0.00 36.38 31.47 2bkd s VAL 115 CO 0.58 0.07 0.61 0.20 -3.33 0.00 0.00 175.10 173.24 2bkd s ASN 116 N 0.10 6.22 0.00 3.54 0.01 -1.26 -4.93 114.94 118.61 2bkd s ASN 116 Ca 0.56 -0.96 0.14 0.00 -0.71 0.00 0.00 52.86 51.89 2bkd s ASN 116 Cb -0.44 -2.28 0.65 0.00 0.41 0.00 0.00 41.25 39.59 2bkd s ASN 116 CO 0.51 -0.88 1.45 -0.81 -1.51 0.00 0.00 177.10 175.85 2bkd n PRO 117 N 6.09 1.35 -2.02 -0.60 -0.04 -1.26 -4.90 135.00 133.62 2bkd n PRO 117 Ca -0.07 -0.53 -0.34 0.00 -0.04 0.00 0.00 63.50 62.52 2bkd n PRO 117 Cb 0.45 -1.26 0.02 0.00 -0.04 0.00 0.00 33.50 32.67 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 -1.36 5.51 0.45 3.54 4.22 -1.26 -4.98 114.94 121.06 2bkd s ASN 118 Ca 0.23 2.02 -0.21 0.00 -2.14 0.00 0.00 52.86 52.76 2bkd s ASN 118 Cb 0.11 -2.56 -0.10 0.00 1.28 0.00 0.00 41.25 39.99 2bkd s ASN 118 CO 0.18 -1.36 0.99 -0.54 -2.04 0.00 0.00 177.10 174.33 2bkd s LYS 119 N -3.78 4.05 0.39 3.55 1.02 -1.26 -4.80 119.74 118.92 2bkd s LYS 119 Ca 0.68 1.24 -0.26 0.00 0.02 0.00 0.00 55.97 57.65 2bkd s LYS 119 Cb -0.20 -2.17 -0.09 0.00 -0.52 0.00 0.00 37.83 34.85 2bkd s LYS 119 CO 0.35 -0.20 1.25 -1.25 -0.92 0.00 0.00 175.35 174.57 2bkd s PRO 120 N -3.16 4.05 -0.18 -1.68 0.04 -1.26 -1.56 135.00 131.25 2bkd s PRO 120 Ca 0.64 2.03 -0.35 0.00 0.04 0.00 0.00 61.00 63.36 2bkd s PRO 120 Cb -0.13 -2.77 -0.12 0.00 0.04 0.00 0.00 34.50 31.52 2bkd s PRO 120 CO 0.17 -0.38 1.91 0.00 0.04 0.00 0.00 177.00 178.74 2bkd n ALA 121 N 0.20 0.70 0.10 8.56 0.00 0.52 -4.75 120.51 125.84 2bkd n ALA 121 Ca 0.03 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.71 2bkd n ALA 121 Cb 0.44 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.43 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 5.46 0.00 0.00 0.00 5.66 -1.26 -4.89 114.28 119.25 2bkd n THR 122 Ca 0.27 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.27 2bkd n THR 122 Cb 0.25 -0.01 0.00 0.00 -1.55 0.00 0.00 70.33 69.02 2bkd n THR 122 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2bkd n LYS 123 N -2.92 0.00 0.05 1.09 5.02 -1.26 -1.78 118.16 118.36 2bkd n LYS 123 Ca 0.00 0.70 -0.05 0.00 -2.02 0.00 0.00 58.31 56.94 2bkd n LYS 123 Cb 0.00 -1.36 -0.10 0.00 -0.02 0.00 0.00 35.03 33.55 2bkd n LYS 123 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2bkd h ASP 124 N 0.00 0.00 1.51 4.39 5.19 -2.01 -3.40 116.42 122.10 2bkd h ASP 124 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2bkd h ASP 124 Cb 0.00 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.51 2bkd h ASP 124 CO 0.00 0.89 -0.14 0.00 -3.12 0.00 0.00 179.24 176.87 2bkd h THR 125 N 0.00 0.00 -0.03 0.35 1.03 -1.80 -3.48 112.91 108.98 2bkd h THR 125 Ca -0.08 -0.65 -0.69 0.00 -0.01 0.00 0.00 66.41 64.97 2bkd h THR 125 Cb 1.75 1.57 -0.02 0.00 -1.07 0.00 0.00 68.15 70.38 2bkd h THR 125 CO 0.10 0.00 2.90 2.22 -0.01 0.00 0.00 175.52 180.73 2bkd n PHE 126 N -2.50 3.17 0.00 0.00 -1.74 -0.74 -4.95 117.46 110.70 2bkd n PHE 126 Ca 0.04 -2.69 0.00 0.00 -0.56 0.00 0.00 57.45 54.25 2bkd n PHE 126 Cb 0.47 -2.36 0.00 0.00 1.52 0.00 0.00 39.48 39.11 2bkd n PHE 126 CO 0.00 0.00 0.00 0.36 -0.56 0.00 0.00 176.76 176.56 2bkd n LYS 128 N 6.39 0.00 -3.25 3.97 2.85 -1.26 -5.15 118.16 121.71 2bkd n LYS 128 Ca 0.51 0.00 -0.39 0.00 -1.05 0.00 0.00 58.31 57.39 2bkd n LYS 128 Cb 0.40 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.72 2bkd n LYS 128 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 177.40 177.77 2bkd s ILE 129 N -4.00 5.03 -0.42 0.58 1.01 -1.26 -5.04 121.20 117.11 2bkd s ILE 129 Ca 0.00 1.13 -0.29 0.00 0.00 0.00 0.00 60.65 61.49 2bkd s ILE 129 Cb 0.00 -3.89 0.02 0.00 0.01 0.00 0.00 42.46 38.61 2bkd s ILE 129 CO 0.00 0.38 1.18 -0.75 0.00 0.00 0.00 174.94 175.75 2bkd s LYS 130 N 0.14 3.80 -0.03 2.79 2.36 -1.26 -5.00 119.74 122.54 2bkd s LYS 130 Ca 0.29 0.79 -0.28 0.00 -2.55 0.00 0.00 55.97 54.22 2bkd s LYS 130 Cb -0.17 -3.88 -0.03 0.00 -1.05 0.00 0.00 37.83 32.70 2bkd s LYS 130 CO 0.15 -1.28 0.92 -0.51 1.55 0.00 0.00 175.35 176.18 2bkd s LEU 131 N 4.40 4.34 -0.10 5.43 1.02 -1.26 -4.96 118.68 127.56 2bkd s LEU 131 Ca 0.50 1.54 -0.20 0.00 0.02 0.00 0.00 54.13 55.99 2bkd s LEU 131 Cb -0.10 -3.46 -0.16 0.00 0.02 0.00 0.00 46.19 42.49 2bkd s LEU 131 CO 0.27 -0.25 0.64 -2.24 0.02 0.00 0.00 176.35 174.80 2bkd h ASP 132 N 6.84 -0.06 -3.18 2.29 2.03 -2.07 -3.45 116.42 118.82 2bkd h ASP 132 Ca -0.40 -0.54 -0.53 0.00 -0.73 0.00 0.00 57.03 54.84 2bkd h ASP 132 Cb 1.21 0.02 0.03 0.00 -0.83 0.00 0.00 39.33 39.75 2bkd h ASP 132 CO 0.76 0.66 0.71 0.54 -1.03 0.00 0.00 179.24 180.89 2bkd s VAL 133 N -2.53 3.15 -2.00 4.15 0.11 -1.26 -5.36 120.40 116.66 2bkd s VAL 133 Ca -0.12 0.88 0.12 0.00 -2.93 0.00 0.00 61.98 59.93 2bkd s VAL 133 Cb -0.01 -3.56 0.35 0.00 -1.53 0.00 0.00 36.38 31.63 2bkd s VAL 133 CO 0.46 0.10 1.17 -2.65 -3.33 0.00 0.00 175.10 170.85