#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 0.43 0.30 2.12 2.12 -1.26 -4.66 118.70 117.75 2bkd s GLU 2 Ca 0.00 0.91 0.00 0.00 0.36 0.00 0.00 54.97 56.24 2bkd s GLU 2 Cb 0.00 0.08 0.00 0.00 0.26 0.00 0.00 34.13 34.47 2bkd s GLU 2 CO 0.00 -0.18 0.00 0.39 -0.54 0.00 0.00 175.26 174.93 2bkd n GLU 3 N 4.51 0.00 -3.83 4.30 1.02 -1.26 -5.11 120.64 120.27 2bkd n GLU 3 Ca -0.20 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.58 2bkd n GLU 3 Cb 0.55 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.91 2bkd n GLU 3 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2bkd s LEU 4 N -6.85 4.39 -0.17 -4.62 2.01 -1.26 -5.01 118.68 107.17 2bkd s LEU 4 Ca 0.00 0.51 -0.05 0.00 0.01 0.00 0.00 54.13 54.60 2bkd s LEU 4 Cb 0.00 -2.30 -0.03 0.00 0.01 0.00 0.00 46.19 43.87 2bkd s LEU 4 CO 0.00 0.35 -0.00 0.68 1.01 0.00 0.00 176.35 178.39 2bkd s VAL 5 N -1.12 4.19 0.37 -1.59 -7.23 -1.26 -0.77 120.40 112.99 2bkd s VAL 5 Ca 0.20 -0.25 0.08 0.00 -1.81 0.00 0.00 61.98 60.20 2bkd s VAL 5 Cb -0.13 -2.86 -0.05 0.00 0.56 0.00 0.00 36.38 33.90 2bkd s VAL 5 CO 0.09 0.47 0.10 0.68 -0.31 0.00 0.00 175.10 176.14 2bkd s VAL 6 N 0.46 2.52 -0.17 1.32 -7.23 -0.53 -4.72 120.40 112.05 2bkd s VAL 6 Ca -0.01 -1.81 -0.09 0.00 -1.81 0.00 0.00 61.98 58.25 2bkd s VAL 6 Cb -0.14 -2.92 -0.05 0.00 0.56 0.00 0.00 36.38 33.83 2bkd s VAL 6 CO 0.02 -0.10 0.15 -1.61 -0.31 0.00 0.00 175.10 173.25 2bkd s GLU 7 N -3.82 3.96 0.20 4.82 2.02 -0.02 -1.26 118.70 124.60 2bkd s GLU 7 Ca 0.38 -0.16 0.10 0.00 0.02 0.00 0.00 54.97 55.31 2bkd s GLU 7 Cb 0.02 -3.35 -0.04 0.00 0.10 0.00 0.00 34.13 30.86 2bkd s GLU 7 CO 0.21 0.45 -0.15 0.54 0.02 0.00 0.00 175.26 176.33 2bkd s VAL 8 N -0.09 2.85 0.13 2.63 0.11 -0.56 -1.32 120.40 124.15 2bkd s VAL 8 Ca 0.11 -1.87 0.08 0.00 -2.93 0.00 0.00 61.98 57.36 2bkd s VAL 8 Cb -0.12 -2.41 -0.04 0.00 -1.53 0.00 0.00 36.38 32.29 2bkd s VAL 8 CO 0.01 -0.15 -0.18 0.00 -3.33 0.00 0.00 175.10 171.45 2bkd s ARG 9 N -2.88 1.14 0.00 1.54 3.03 -1.25 -1.27 118.95 119.27 2bkd s ARG 9 Ca 0.24 -1.28 0.00 0.00 2.03 0.00 0.00 55.73 56.72 2bkd s ARG 9 Cb -0.08 -1.20 0.00 0.00 -1.03 0.00 0.00 34.95 32.64 2bkd s ARG 9 CO 0.13 0.25 0.00 0.41 -1.13 0.00 0.00 175.30 174.97 2bkd n GLY 10 N 0.60 0.87 0.27 3.88 0.00 -1.25 -5.00 105.19 104.56 2bkd n GLY 10 Ca -0.16 0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.12 2bkd n GLY 10 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2bkd h SER 11 N 0.00 0.00 0.59 1.61 0.02 -1.99 -0.71 113.55 113.07 2bkd h SER 11 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2bkd h SER 11 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2bkd h SER 11 CO 0.00 0.05 0.00 -1.13 -1.14 0.00 0.00 176.83 174.61 2bkd h ASN 12 N 0.00 0.00 0.00 3.07 -1.24 -2.00 -3.46 115.58 111.95 2bkd h ASN 12 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2bkd h ASN 12 Cb 0.10 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.15 2bkd h ASN 12 CO 0.01 0.00 0.00 0.61 -1.29 0.00 0.00 177.43 176.76 2bkd n GLY 13 N -0.32 0.40 3.00 1.57 0.00 -0.27 -4.97 105.19 104.59 2bkd n GLY 13 Ca 0.01 -1.05 -0.06 0.00 0.00 0.00 0.00 46.02 44.92 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 0.74 -1.56 -2.69 4.61 0.00 -1.26 -5.00 120.51 115.34 2bkd n ALA 14 Ca 0.00 -0.96 -0.39 0.00 0.00 0.00 0.00 53.44 52.08 2bkd n ALA 14 Cb 0.04 0.73 -0.05 0.00 0.00 0.00 0.00 19.45 20.17 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 -3.44 3.58 -0.03 0.00 0.40 -1.26 -3.84 117.98 113.39 2bkd s PHE 15 Ca 0.14 1.18 0.05 0.00 -0.60 0.00 0.00 56.93 57.70 2bkd s PHE 15 Cb -0.04 -2.74 -0.01 0.00 0.51 0.00 0.00 43.02 40.75 2bkd s PHE 15 CO 0.08 0.13 -0.20 1.52 0.70 0.00 0.00 175.22 177.46 2bkd s TYR 16 N 0.65 1.85 0.17 0.36 1.13 -0.39 -4.97 117.35 116.16 2bkd s TYR 16 Ca 0.35 -0.45 -0.28 0.00 -1.41 0.00 0.00 57.07 55.28 2bkd s TYR 16 Cb -0.17 -1.22 -0.08 0.00 -1.10 0.00 0.00 41.96 39.39 2bkd s TYR 16 CO 0.17 -0.11 0.88 0.21 -2.51 0.00 0.00 175.55 174.19 2bkd s LYS 17 N -0.24 4.70 -0.03 -3.49 2.20 -1.26 -1.50 119.74 120.11 2bkd s LYS 17 Ca 0.02 1.34 -0.05 0.00 -0.36 0.00 0.00 55.97 56.92 2bkd s LYS 17 Cb -0.10 -3.31 0.01 0.00 -1.51 0.00 0.00 37.83 32.92 2bkd s LYS 17 CO 0.01 0.44 0.13 0.00 -0.36 0.00 0.00 175.35 175.56 2bkd s ALA 18 N -0.77 -0.31 -0.13 3.13 0.00 -0.39 -4.91 121.76 118.38 2bkd s ALA 18 Ca 0.41 0.17 -0.00 0.00 0.00 0.00 0.00 51.96 52.53 2bkd s ALA 18 Cb -0.24 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 2bkd s ALA 18 CO 0.29 -0.11 -0.13 -0.06 0.00 0.00 0.00 175.76 175.75 2bkd s PHE 19 N -0.47 2.82 0.03 0.00 0.08 0.18 -1.45 117.98 119.18 2bkd s PHE 19 Ca -0.05 -0.64 -0.30 0.00 0.12 0.00 0.00 56.93 56.05 2bkd s PHE 19 Cb -0.04 -1.85 -0.08 0.00 -0.57 0.00 0.00 43.02 40.49 2bkd s PHE 19 CO 0.01 -0.21 1.71 0.08 -0.10 0.00 0.00 175.22 176.70 2bkd s VAL 20 N 0.36 3.16 -0.27 -0.44 1.01 0.05 -0.28 120.40 123.98 2bkd s VAL 20 Ca -0.11 0.45 -0.10 0.00 0.00 0.00 0.00 61.98 62.22 2bkd s VAL 20 Cb -0.16 -3.29 -0.13 0.00 0.00 0.00 0.00 36.38 32.80 2bkd s VAL 20 CO 0.06 -0.02 -0.33 1.17 0.00 0.00 0.00 175.10 175.98 2bkd n LYS 21 N 6.31 0.60 -3.68 2.72 4.81 -0.40 -4.14 118.16 124.39 2bkd n LYS 21 Ca 0.17 0.23 -0.14 0.00 -0.87 0.00 0.00 58.31 57.71 2bkd n LYS 21 Cb 0.41 -1.50 -0.08 0.00 0.02 0.00 0.00 35.03 33.88 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 -7.26 -0.58 0.31 3.14 2.15 -0.81 -4.92 116.67 108.69 2bkd s ASP 22 Ca -0.38 1.11 0.07 0.00 0.43 0.00 0.00 52.55 53.78 2bkd s ASP 22 Cb 0.13 1.13 -0.06 0.00 -0.30 0.00 0.00 42.92 43.82 2bkd s ASP 22 CO 0.52 -0.21 -0.05 -0.69 -0.17 0.00 0.00 175.17 174.57 2bkd s VAL 23 N 0.24 1.76 -0.11 1.11 1.01 -1.26 -0.47 120.40 122.69 2bkd s VAL 23 Ca -0.00 -2.12 0.11 0.00 0.00 0.00 0.00 61.98 59.97 2bkd s VAL 23 Cb -0.04 -2.57 -0.24 0.00 0.00 0.00 0.00 36.38 33.53 2bkd s VAL 23 CO 0.01 -0.22 0.40 -1.84 0.00 0.00 0.00 175.10 173.45 2bkd n GLU 25 N -0.67 0.66 -0.06 2.72 0.28 -1.26 -5.02 120.64 117.29 2bkd n GLU 25 Ca -0.05 0.20 -0.16 0.00 -0.16 0.00 0.00 57.16 56.98 2bkd n GLU 25 Cb 0.64 -1.69 -0.14 0.00 1.43 0.00 0.00 31.44 31.69 2bkd n GLU 25 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2bkd n ASP 26 N -3.02 1.53 -4.00 -1.84 8.00 -1.26 -4.97 116.55 110.98 2bkd n ASP 26 Ca -0.25 0.10 -0.10 0.00 0.71 0.00 0.00 54.79 55.25 2bkd n ASP 26 Cb 1.08 -0.29 -0.07 0.00 -0.02 0.00 0.00 41.12 41.82 2bkd n ASP 26 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2bkd s SER 27 N -6.47 -0.02 -0.05 -2.24 1.04 -1.26 -4.44 113.70 100.26 2bkd s SER 27 Ca -0.21 -0.96 0.03 0.00 0.48 0.00 0.00 55.95 55.28 2bkd s SER 27 Cb 0.07 0.50 0.01 0.00 0.10 0.00 0.00 66.02 66.70 2bkd s SER 27 CO 0.74 -1.00 -0.13 -0.51 0.98 0.00 0.00 173.24 173.31 2bkd s ILE 28 N -4.02 1.12 -0.11 -1.02 2.07 -0.01 -4.66 121.20 114.57 2bkd s ILE 28 Ca 0.23 -0.51 -0.03 0.00 -1.41 0.00 0.00 60.65 58.93 2bkd s ILE 28 Cb 0.02 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.57 2bkd s ILE 28 CO 0.06 0.34 -0.01 -0.89 -1.91 0.00 0.00 174.94 172.53 2bkd s THR 29 N 0.39 4.15 0.06 4.00 2.01 0.38 -1.51 115.64 125.13 2bkd s THR 29 Ca -0.09 -0.29 0.00 0.00 0.31 0.00 0.00 61.69 61.62 2bkd s THR 29 Cb -0.13 -2.77 -0.04 0.00 0.01 0.00 0.00 72.50 69.57 2bkd s THR 29 CO 0.03 0.56 -0.04 0.68 -0.69 0.00 0.00 174.62 175.15 2bkd s VAL 30 N -0.38 0.37 0.05 3.82 -7.23 -0.20 -1.28 120.40 115.56 2bkd s VAL 30 Ca 0.07 -1.65 -0.10 0.00 -1.81 0.00 0.00 61.98 58.49 2bkd s VAL 30 Cb -0.12 -1.31 0.00 0.00 0.56 0.00 0.00 36.38 35.52 2bkd s VAL 30 CO 0.02 -0.84 0.20 0.00 -0.31 0.00 0.00 175.10 174.18 2bkd s ALA 31 N -3.25 -0.36 0.07 1.32 0.00 0.62 -0.43 121.76 119.74 2bkd s ALA 31 Ca 0.04 -0.33 0.03 0.00 0.00 0.00 0.00 51.96 51.70 2bkd s ALA 31 Cb 0.03 0.33 -0.04 0.00 0.00 0.00 0.00 23.12 23.44 2bkd s ALA 31 CO -0.06 -0.40 0.05 -0.06 0.00 0.00 0.00 175.76 175.29 2bkd s PHE 32 N -2.85 3.13 -1.60 0.00 0.08 -0.39 -0.64 117.98 115.70 2bkd s PHE 32 Ca -0.03 0.06 -0.10 0.00 0.12 0.00 0.00 56.93 56.97 2bkd s PHE 32 Cb 0.00 -1.61 -0.07 0.00 -0.57 0.00 0.00 43.02 40.77 2bkd s PHE 32 CO -0.05 0.51 2.88 -1.91 -0.10 0.00 0.00 175.22 176.54 2bkd n GLU 33 N 0.62 3.64 -0.12 0.44 2.13 -1.26 -4.65 120.64 121.43 2bkd n GLU 33 Ca -0.10 -2.27 0.00 0.00 0.66 0.00 0.00 57.16 55.45 2bkd n GLU 33 Cb 0.52 -2.85 0.00 0.00 0.27 0.00 0.00 31.44 29.38 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 3.81 0.00 -0.03 4.31 5.15 -1.26 -4.74 115.26 122.49 2bkd n ASN 34 Ca 0.76 0.00 -0.06 0.00 -0.60 0.00 0.00 54.58 54.68 2bkd n ASN 34 Cb 0.25 -1.31 0.13 0.00 -0.53 0.00 0.00 39.78 38.32 2bkd n ASN 34 CO 0.00 0.00 0.00 0.78 1.40 0.00 0.00 177.26 179.44 2bkd h ASN 35 N 0.00 0.62 -0.94 1.20 2.35 -1.99 -3.40 115.58 113.42 2bkd h ASN 35 Ca 0.00 -0.24 -0.03 0.00 -0.55 0.00 0.00 56.30 55.49 2bkd h ASN 35 Cb 0.00 -0.17 -0.19 0.00 0.05 0.00 0.00 38.32 38.00 2bkd h ASN 35 CO 0.00 0.88 -0.41 -1.66 -1.65 0.00 0.00 177.43 174.59 2bkd s TRP 36 N -4.45 -1.67 0.00 1.19 1.48 -1.26 -5.07 118.94 109.16 2bkd s TRP 36 Ca -0.08 0.42 0.00 0.00 -1.06 0.00 0.00 56.10 55.38 2bkd s TRP 36 Cb 0.13 0.30 0.00 0.00 -1.16 0.00 0.00 33.47 32.74 2bkd s TRP 36 CO 0.82 -1.09 0.00 1.04 -4.06 0.00 0.00 176.95 173.65 2bkd n GLN 37 N 4.60 0.00 0.00 3.25 1.13 -1.26 -4.79 117.38 120.30 2bkd n GLN 37 Ca 0.09 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.15 2bkd n GLN 37 Cb 0.57 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.92 2bkd n GLN 37 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 2bkd n PRO 38 N 0.02 0.00 -4.26 -1.09 -0.04 -1.26 -4.25 135.00 124.13 2bkd n PRO 38 Ca 0.00 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.28 2bkd n PRO 38 Cb 0.00 -0.13 -0.11 0.00 -0.04 0.00 0.00 33.50 33.22 2bkd n PRO 38 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2bkd s ASP 39 N -1.02 2.07 0.09 3.54 -4.77 -1.26 -1.26 116.67 114.05 2bkd s ASP 39 Ca 0.00 -0.85 -0.06 0.00 -3.30 0.00 0.00 52.55 48.35 2bkd s ASP 39 Cb 0.00 -0.07 -0.02 0.00 -1.09 0.00 0.00 42.92 41.74 2bkd s ASP 39 CO 0.00 -0.16 0.12 -0.60 0.70 0.00 0.00 175.17 175.23 2bkd s ARG 40 N -2.85 0.80 -0.12 2.11 6.06 0.43 -4.98 118.95 120.40 2bkd s ARG 40 Ca 0.11 -1.10 0.03 0.00 -2.50 0.00 0.00 55.73 52.27 2bkd s ARG 40 Cb -0.04 0.29 0.01 0.00 0.06 0.00 0.00 34.95 35.27 2bkd s ARG 40 CO 0.03 -0.23 -0.22 -1.14 -2.50 0.00 0.00 175.30 171.25 2bkd s GLN 41 N -3.90 2.90 0.05 5.12 0.74 -1.26 -1.03 119.66 122.27 2bkd s GLN 41 Ca 0.08 -0.82 0.08 0.00 0.05 0.00 0.00 55.36 54.75 2bkd s GLN 41 Cb 0.06 -2.28 -0.03 0.00 1.10 0.00 0.00 33.01 31.86 2bkd s GLN 41 CO -0.09 0.07 -0.23 0.96 -0.55 0.00 0.00 175.29 175.45 2bkd s ILE 42 N 0.62 1.88 0.81 -2.34 -4.36 -0.57 -5.00 121.20 112.23 2bkd s ILE 42 Ca -0.12 -1.29 -0.12 0.00 -0.26 0.00 0.00 60.65 58.85 2bkd s ILE 42 Cb -0.17 -1.62 0.08 0.00 1.25 0.00 0.00 42.46 42.00 2bkd s ILE 42 CO 0.03 0.27 1.18 -2.16 0.24 0.00 0.00 174.94 174.50 2bkd s PRO 43 N -1.23 1.98 0.00 0.37 0.04 -1.26 -0.83 135.00 134.06 2bkd s PRO 43 Ca 0.09 0.11 -0.01 0.00 0.04 0.00 0.00 61.00 61.24 2bkd s PRO 43 Cb -0.09 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 2bkd s PRO 43 CO 0.02 -1.59 0.75 1.19 0.04 0.00 0.00 177.00 177.42 2bkd n PHE 44 N -3.31 0.00 0.00 0.56 3.72 -1.26 -3.50 117.46 113.67 2bkd n PHE 44 Ca 0.08 -0.19 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 2bkd n PHE 44 Cb 0.61 -0.49 0.00 0.00 -0.94 0.00 0.00 39.48 38.66 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 2.65 0.00 -4.87 4.37 9.92 -1.26 -4.50 116.55 122.86 2bkd n ASP 46 Ca 0.04 0.00 -0.35 0.00 -0.53 0.00 0.00 54.79 53.95 2bkd n ASP 46 Cb 0.11 0.00 -0.06 0.00 -0.64 0.00 0.00 41.12 40.54 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 5.16 -0.03 2.53 1.01 -1.23 -3.91 120.40 123.93 2bkd s VAL 47 Ca 0.00 0.43 0.01 0.00 0.00 0.00 0.00 61.98 62.42 2bkd s VAL 47 Cb 0.00 -3.62 0.01 0.00 0.00 0.00 0.00 36.38 32.77 2bkd s VAL 47 CO 0.00 0.38 -0.05 -0.60 0.00 0.00 0.00 175.10 174.83 2bkd s ARG 48 N -1.66 0.71 -0.11 2.72 3.52 -0.44 -4.75 118.95 118.94 2bkd s ARG 48 Ca 0.29 -0.13 -0.14 0.00 -0.13 0.00 0.00 55.73 55.61 2bkd s ARG 48 Cb -0.14 -0.71 -0.05 0.00 -1.56 0.00 0.00 34.95 32.49 2bkd s ARG 48 CO 0.16 -0.02 0.34 -0.06 -0.81 0.00 0.00 175.30 174.91 2bkd s PHE 49 N 0.59 3.54 -0.64 5.12 0.08 -1.26 -0.84 117.98 124.57 2bkd s PHE 49 Ca -0.08 0.73 -0.22 0.00 0.12 0.00 0.00 56.93 57.48 2bkd s PHE 49 Cb -0.11 -2.34 0.07 0.00 -0.57 0.00 0.00 43.02 40.07 2bkd s PHE 49 CO 0.00 0.35 0.93 -1.25 -0.10 0.00 0.00 175.22 175.15 2bkd s PRO 50 N 0.04 3.12 0.37 0.24 0.04 -1.26 -4.76 135.00 132.79 2bkd s PRO 50 Ca 0.20 -0.85 -0.25 0.00 0.04 0.00 0.00 61.00 60.14 2bkd s PRO 50 Cb -0.14 -4.22 -0.09 0.00 0.04 0.00 0.00 34.50 30.09 2bkd s PRO 50 CO 0.07 -1.75 1.01 -1.25 0.04 0.00 0.00 177.00 175.12 2bkd s PRO 51 N 3.88 4.32 0.42 0.56 0.04 -1.26 -4.97 135.00 138.00 2bkd s PRO 51 Ca 0.21 1.45 -0.05 0.00 0.04 0.00 0.00 61.00 62.65 2bkd s PRO 51 Cb -0.17 -2.64 0.09 0.00 0.04 0.00 0.00 34.50 31.82 2bkd s PRO 51 CO 0.10 0.01 0.57 -0.35 0.04 0.00 0.00 177.00 177.38 2bkd n PRO 52 N 0.16 -0.35 -0.09 0.56 -0.04 -1.26 -5.03 135.00 128.95 2bkd n PRO 52 Ca 0.04 -1.05 -0.17 0.00 -0.04 0.00 0.00 63.50 62.28 2bkd n PRO 52 Cb 0.50 -0.54 -0.09 0.00 -0.04 0.00 0.00 33.50 33.33 2bkd n PRO 52 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2bkd h VAL 53 N -1.10 0.66 -2.96 0.52 2.07 -1.97 -3.50 116.25 109.96 2bkd h VAL 53 Ca -0.19 -1.85 0.05 0.00 0.82 0.00 0.00 66.70 65.53 2bkd h VAL 53 Cb 0.56 1.60 -0.07 0.00 -1.52 0.00 0.00 31.29 31.85 2bkd h VAL 53 CO 0.15 0.22 0.24 -0.83 0.02 0.00 0.00 177.57 177.37 2bkd s GLY 54 N -4.68 -0.26 0.25 2.17 0.00 -1.26 -5.18 107.32 98.35 2bkd s GLY 54 Ca -0.25 -0.03 0.03 0.00 0.00 0.00 0.00 44.72 44.48 2bkd s GLY 54 CO 0.49 -0.00 0.11 -1.72 0.00 0.00 0.00 173.10 171.97 2bkd n TYR 55 N -0.43 -0.04 0.00 1.90 4.01 -1.26 -5.06 117.16 116.28 2bkd n TYR 55 Ca -0.08 -1.66 0.00 0.00 -0.16 0.00 0.00 57.90 56.00 2bkd n TYR 55 Cb 0.61 0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.67 2bkd n TYR 55 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2bkd n ASN 56 N -1.82 0.00 0.00 7.72 2.85 -1.26 -5.09 115.26 117.66 2bkd n ASN 56 Ca -0.02 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.45 2bkd n ASN 56 Cb 0.38 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.40 2bkd n ASN 56 CO 0.00 0.00 0.00 0.29 -2.11 0.00 0.00 177.26 175.44 2bkd n LYS 57 N 0.00 0.00 -0.52 1.20 4.76 -1.26 -4.68 118.16 117.66 2bkd n LYS 57 Ca 0.00 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.34 2bkd n LYS 57 Cb 0.00 0.00 0.08 0.00 -1.84 0.00 0.00 35.03 33.27 2bkd n LYS 57 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2bkd n ASP 58 N 0.00 -0.63 -4.79 4.39 2.03 -1.26 -4.53 116.55 111.76 2bkd n ASP 58 Ca 0.00 -0.96 -0.39 0.00 0.52 0.00 0.00 54.79 53.96 2bkd n ASP 58 Cb 0.00 -0.35 -0.06 0.00 -0.72 0.00 0.00 41.12 39.99 2bkd n ASP 58 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2bkd s ILE 59 N -1.85 4.53 0.00 5.18 1.10 -1.26 -4.97 121.20 123.94 2bkd s ILE 59 Ca 0.25 1.48 0.10 0.00 -0.51 0.00 0.00 60.65 61.97 2bkd s ILE 59 Cb -0.01 -4.02 0.17 0.00 0.15 0.00 0.00 42.46 38.74 2bkd s ILE 59 CO 0.18 0.52 1.04 0.59 -2.11 0.00 0.00 174.94 175.16 2bkd n ASN 60 N 1.60 0.34 -3.33 4.50 3.02 -1.26 -5.04 115.26 115.09 2bkd n ASN 60 Ca -0.07 -1.94 -0.17 0.00 -0.03 0.00 0.00 54.58 52.36 2bkd n ASN 60 Cb 0.50 -0.21 0.07 0.00 -0.61 0.00 0.00 39.78 39.53 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 0.19 -2.93 0.14 3.52 1.02 -1.26 -4.89 120.64 116.43 2bkd n GLU 61 Ca 0.01 0.83 0.00 0.00 -0.02 0.00 0.00 57.16 57.98 2bkd n GLU 61 Cb 0.86 -5.69 0.00 0.00 -0.02 0.00 0.00 31.44 26.60 2bkd n GLU 61 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2bkd n SER 62 N -3.16 -2.51 -1.66 1.62 2.88 -1.26 -5.08 113.62 104.45 2bkd n SER 62 Ca -0.11 0.56 0.00 0.00 -1.33 0.00 0.00 58.87 57.99 2bkd n SER 62 Cb 0.63 2.52 0.00 0.00 -0.75 0.00 0.00 64.21 66.60 2bkd n SER 62 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 2bkd n ASP 63 N -3.05 0.00 -4.94 -3.46 -0.08 -1.26 -4.93 116.55 98.83 2bkd n ASP 63 Ca 0.00 -0.65 -0.25 0.00 -1.51 0.00 0.00 54.79 52.38 2bkd n ASP 63 Cb 0.00 0.00 0.03 0.00 2.34 0.00 0.00 41.12 43.49 2bkd n ASP 63 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 2bkd s GLU 64 N -0.84 2.77 0.21 -0.67 2.02 -1.26 -4.46 118.70 116.47 2bkd s GLU 64 Ca 0.00 -0.29 -0.00 0.00 0.02 0.00 0.00 54.97 54.70 2bkd s GLU 64 Cb 0.00 -2.36 -0.04 0.00 0.10 0.00 0.00 34.13 31.83 2bkd s GLU 64 CO 0.00 -0.69 0.14 0.14 0.02 0.00 0.00 175.26 174.88 2bkd s VAL 65 N -2.89 0.02 -0.08 2.63 -7.23 -0.25 -4.95 120.40 107.65 2bkd s VAL 65 Ca 0.54 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.70 2bkd s VAL 65 Cb -0.10 -2.50 -0.03 0.00 0.56 0.00 0.00 36.38 34.30 2bkd s VAL 65 CO 0.42 0.00 -0.02 -1.61 -0.31 0.00 0.00 175.10 173.58 2bkd s GLU 66 N -4.10 2.91 -0.19 4.82 2.02 0.00 -0.52 118.70 123.64 2bkd s GLU 66 Ca 0.39 -0.45 -0.08 0.00 0.02 0.00 0.00 54.97 54.85 2bkd s GLU 66 Cb 0.07 -2.73 -0.04 0.00 0.10 0.00 0.00 34.13 31.52 2bkd s GLU 66 CO 0.13 0.69 0.08 0.14 0.02 0.00 0.00 175.26 176.32 2bkd s VAL 67 N -0.87 4.86 -0.09 2.63 -7.23 0.20 -0.40 120.40 119.49 2bkd s VAL 67 Ca 0.13 -0.01 -0.21 0.00 -1.81 0.00 0.00 61.98 60.08 2bkd s VAL 67 Cb -0.11 -3.21 -0.04 0.00 0.56 0.00 0.00 36.38 33.58 2bkd s VAL 67 CO 0.02 0.44 0.61 -0.31 -0.31 0.00 0.00 175.10 175.55 2bkd s TYR 68 N 0.54 3.55 0.14 2.82 1.51 -0.69 -1.68 117.35 123.53 2bkd s TYR 68 Ca 0.04 1.10 0.05 0.00 -1.01 0.00 0.00 57.07 57.26 2bkd s TYR 68 Cb -0.13 -2.71 -0.04 0.00 -0.11 0.00 0.00 41.96 38.98 2bkd s TYR 68 CO 0.01 0.11 -0.12 0.45 -1.11 0.00 0.00 175.55 174.89 2bkd s SER 69 N 0.74 1.93 0.31 2.29 0.15 -1.15 -4.74 113.70 113.23 2bkd s SER 69 Ca 0.33 -0.90 -0.29 0.00 0.70 0.00 0.00 55.95 55.79 2bkd s SER 69 Cb -0.17 -0.05 -0.10 0.00 -1.71 0.00 0.00 66.02 64.00 2bkd s SER 69 CO 0.15 -0.22 1.22 0.00 1.20 0.00 0.00 173.24 175.58 2bkd s ARG 70 N -3.15 4.46 0.00 5.44 1.70 -1.26 -4.79 118.95 121.35 2bkd s ARG 70 Ca 0.13 2.03 -0.04 0.00 -0.47 0.00 0.00 55.73 57.38 2bkd s ARG 70 Cb -0.02 -3.10 -0.17 0.00 -0.57 0.00 0.00 34.95 31.09 2bkd s ARG 70 CO 0.02 -0.03 2.87 0.00 -1.08 0.00 0.00 175.30 177.09 2bkd n ALA 71 N 0.93 5.24 -0.96 7.88 0.00 -1.26 -3.91 120.51 128.43 2bkd n ALA 71 Ca -0.00 -1.15 0.00 0.00 0.00 0.00 0.00 53.44 52.29 2bkd n ALA 71 Cb 0.43 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 17.95 2bkd n ALA 71 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2bkd n ASN 72 N 2.23 0.00 -0.11 0.00 5.03 -1.26 -5.05 115.26 116.09 2bkd n ASN 72 Ca 0.27 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.72 2bkd n ASN 72 Cb 0.72 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.48 2bkd n ASN 72 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 2bkd n GLU 73 N -1.06 0.00 0.00 3.52 1.02 -1.25 -5.05 120.64 117.82 2bkd n GLU 73 Ca 0.00 0.11 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 2bkd n GLU 73 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2bkd n GLU 73 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2bkd n LYS 74 N 1.55 0.23 -4.29 3.49 5.02 -1.26 -5.10 118.16 117.80 2bkd n LYS 74 Ca 0.00 -0.48 -0.15 0.00 -2.02 0.00 0.00 58.31 55.65 2bkd n LYS 74 Cb 0.00 -0.71 -0.10 0.00 -0.02 0.00 0.00 35.03 34.20 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 -0.16 1.25 -1.20 1.97 2.02 -1.26 -5.04 118.70 116.27 2bkd s GLU 75 Ca 0.00 -1.62 -0.18 0.00 0.02 0.00 0.00 54.97 53.19 2bkd s GLU 75 Cb 0.00 -0.44 -0.02 0.00 0.10 0.00 0.00 34.13 33.76 2bkd s GLU 75 CO 0.00 -0.12 1.99 -0.35 0.02 0.00 0.00 175.26 176.80 2bkd n PRO 76 N -0.35 2.39 -0.07 0.39 -0.04 -1.26 -4.58 135.00 131.49 2bkd n PRO 76 Ca -0.05 -2.55 -0.11 0.00 -0.04 0.00 0.00 63.50 60.75 2bkd n PRO 76 Cb 0.64 -3.31 -0.04 0.00 -0.04 0.00 0.00 33.50 30.75 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 -0.64 3.82 -3.72 0.00 -0.00 -1.25 -2.95 117.44 112.69 2bkd n TRP 79 Ca 0.00 -4.07 -0.08 0.00 -0.00 0.00 0.00 57.50 53.35 2bkd n TRP 79 Cb 0.00 -0.96 0.01 0.00 -0.00 0.00 0.00 31.31 30.36 2bkd n TRP 79 CO 0.00 0.00 0.00 0.91 -0.00 0.00 0.00 177.69 178.60 2bkd n TRP 80 N 1.96 -1.86 -2.71 5.87 8.01 -0.68 -4.89 117.44 123.14 2bkd n TRP 80 Ca 0.23 -1.60 -0.41 0.00 -1.31 0.00 0.00 57.50 54.41 2bkd n TRP 80 Cb 0.37 0.66 -0.05 0.00 -2.01 0.00 0.00 31.31 30.27 2bkd n TRP 80 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.69 176.20 2bkd s LEU 81 N 0.00 4.57 0.05 -0.99 2.34 -1.26 -0.63 118.68 122.76 2bkd s LEU 81 Ca 0.16 1.92 0.02 0.00 0.06 0.00 0.00 54.13 56.29 2bkd s LEU 81 Cb -0.03 -3.60 -0.03 0.00 -0.56 0.00 0.00 46.19 41.97 2bkd s LEU 81 CO 0.12 0.02 -0.08 0.00 -1.06 0.00 0.00 176.35 175.35 2bkd s ALA 82 N -0.62 0.69 -0.29 1.48 0.00 0.32 -1.60 121.76 121.73 2bkd s ALA 82 Ca 0.44 -0.88 -0.03 0.00 0.00 0.00 0.00 51.96 51.49 2bkd s ALA 82 Cb -0.26 0.05 0.04 0.00 0.00 0.00 0.00 23.12 22.96 2bkd s ALA 82 CO 0.32 -0.04 0.01 -1.59 0.00 0.00 0.00 175.76 174.45 2bkd s LYS 83 N -1.97 2.60 0.24 0.00 0.00 0.26 -1.09 119.74 119.78 2bkd s LYS 83 Ca -0.06 -1.16 -0.30 0.00 0.00 0.00 0.00 55.97 54.46 2bkd s LYS 83 Cb -0.07 -3.19 -0.09 0.00 0.00 0.00 0.00 37.83 34.48 2bkd s LYS 83 CO -0.00 -0.56 1.04 0.08 0.00 0.00 0.00 175.35 175.90 2bkd s VAL 84 N 1.31 3.80 -0.15 1.79 1.01 -1.26 -1.38 120.40 125.53 2bkd s VAL 84 Ca -0.03 1.75 -0.12 0.00 0.00 0.00 0.00 61.98 63.58 2bkd s VAL 84 Cb -0.19 -4.11 -0.24 0.00 0.00 0.00 0.00 36.38 31.84 2bkd s VAL 84 CO -0.01 0.39 0.33 -0.09 0.00 0.00 0.00 175.10 175.72 2bkd h ARG 85 N 4.25 0.18 0.00 2.72 1.12 -1.06 -3.47 114.38 118.11 2bkd h ARG 85 Ca -0.45 -0.30 0.00 0.00 -1.11 0.00 0.00 59.98 58.12 2bkd h ARG 85 Cb 1.21 0.11 0.00 0.00 -0.01 0.00 0.00 29.97 31.28 2bkd h ARG 85 CO 0.68 1.14 0.00 -1.33 -3.11 0.00 0.00 179.97 177.36 2bkd n MET 86 N -3.84 -2.24 -2.81 0.20 2.81 -1.24 -5.02 117.12 104.98 2bkd n MET 86 Ca -0.32 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.14 2bkd n MET 86 Cb 0.91 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 33.38 2bkd n MET 86 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 2bkd s ILE 87 N -2.43 4.45 -0.19 2.02 1.09 -1.26 -1.57 121.20 123.31 2bkd s ILE 87 Ca 0.00 0.71 0.01 0.00 -1.10 0.00 0.00 60.65 60.27 2bkd s ILE 87 Cb 0.00 -4.45 0.03 0.00 -1.06 0.00 0.00 42.46 36.98 2bkd s ILE 87 CO 0.00 -0.87 -0.14 -0.75 -0.10 0.00 0.00 174.94 173.08 2bkd s LYS 88 N 3.81 2.35 -1.45 2.79 2.36 0.63 -4.78 119.74 125.44 2bkd s LYS 88 Ca 0.37 -0.81 -0.09 0.00 -2.55 0.00 0.00 55.97 52.88 2bkd s LYS 88 Cb -0.10 -2.41 0.05 0.00 -1.05 0.00 0.00 37.83 34.32 2bkd s LYS 88 CO 0.26 -0.34 0.89 0.41 1.55 0.00 0.00 175.35 178.12 2bkd n GLY 89 N 4.67 -0.43 2.28 5.54 0.00 -1.26 -1.51 105.19 114.48 2bkd n GLY 89 Ca -0.17 0.17 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2bkd n GLY 89 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2bkd n GLU 90 N -4.57 -0.74 -4.19 1.61 0.00 -1.26 -5.03 120.64 106.46 2bkd n GLU 90 Ca -0.07 0.79 -0.19 0.00 0.00 0.00 0.00 57.16 57.69 2bkd n GLU 90 Cb 0.58 -4.76 -0.12 0.00 0.00 0.00 0.00 31.44 27.14 2bkd n GLU 90 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 2bkd s PHE 91 N -2.41 1.31 -0.27 4.31 0.08 -0.57 -4.96 117.98 115.46 2bkd s PHE 91 Ca 0.00 -0.46 -0.12 0.00 0.12 0.00 0.00 56.93 56.47 2bkd s PHE 91 Cb 0.00 -0.73 -0.05 0.00 -0.57 0.00 0.00 43.02 41.67 2bkd s PHE 91 CO 0.00 0.08 0.23 0.71 -0.10 0.00 0.00 175.22 176.14 2bkd s TYR 92 N -1.29 3.23 -0.30 0.36 1.51 0.15 -0.27 117.35 120.75 2bkd s TYR 92 Ca -0.00 0.19 -0.14 0.00 -1.01 0.00 0.00 57.07 56.11 2bkd s TYR 92 Cb -0.10 -2.41 -0.03 0.00 -0.11 0.00 0.00 41.96 39.31 2bkd s TYR 92 CO 0.03 -0.16 0.30 0.08 -1.11 0.00 0.00 175.55 174.69 2bkd s VAL 93 N 1.77 5.22 -0.06 0.71 1.01 -0.61 -1.49 120.40 126.95 2bkd s VAL 93 Ca 0.09 0.26 0.02 0.00 0.00 0.00 0.00 61.98 62.35 2bkd s VAL 93 Cb -0.16 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 2bkd s VAL 93 CO 0.10 0.11 -0.11 -0.63 0.00 0.00 0.00 175.10 174.58 2bkd s ILE 94 N 1.93 3.33 -0.18 2.22 -1.09 0.45 -0.37 121.20 127.50 2bkd s ILE 94 Ca 0.11 -0.62 -0.06 0.00 -2.23 0.00 0.00 60.65 57.85 2bkd s ILE 94 Cb -0.16 -2.33 -0.04 0.00 -1.58 0.00 0.00 42.46 38.35 2bkd s ILE 94 CO 0.11 0.59 0.03 -0.70 -1.23 0.00 0.00 174.94 173.74 2bkd s GLU 95 N -0.72 3.86 0.03 2.79 2.12 -0.48 -1.11 118.70 125.19 2bkd s GLU 95 Ca 0.11 -0.41 -0.06 0.00 0.36 0.00 0.00 54.97 54.97 2bkd s GLU 95 Cb -0.11 -3.13 -0.05 0.00 0.26 0.00 0.00 34.13 31.10 2bkd s GLU 95 CO 0.01 0.23 0.28 0.71 -0.54 0.00 0.00 175.26 175.95 2bkd s TYR 96 N 0.46 3.57 -0.30 5.30 2.02 -1.21 -0.57 117.35 126.62 2bkd s TYR 96 Ca 0.01 0.56 -0.19 0.00 -0.37 0.00 0.00 57.07 57.08 2bkd s TYR 96 Cb -0.13 -1.98 -0.02 0.00 -0.40 0.00 0.00 41.96 39.43 2bkd s TYR 96 CO 0.01 0.59 0.55 0.00 -1.57 0.00 0.00 175.55 175.14 2bkd s ALA 97 N -1.35 3.55 0.16 3.71 0.00 -0.63 -4.48 121.76 122.73 2bkd s ALA 97 Ca 0.29 -0.71 -0.06 0.00 0.00 0.00 0.00 51.96 51.48 2bkd s ALA 97 Cb -0.13 -2.98 0.03 0.00 0.00 0.00 0.00 23.12 20.03 2bkd s ALA 97 CO 0.18 -0.95 0.34 0.00 0.00 0.00 0.00 175.76 175.32 2bkd n ALA 98 N 5.70 -0.78 0.00 0.00 0.00 -1.26 -4.56 120.51 119.61 2bkd n ALA 98 Ca -0.03 -0.53 -0.07 0.00 0.00 0.00 0.00 53.44 52.81 2bkd n ALA 98 Cb 0.49 0.42 -0.05 0.00 0.00 0.00 0.00 19.45 20.31 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 -4.82 0.00 -0.26 0.00 5.75 -1.26 -5.09 116.55 110.87 2bkd n ASP 100 Ca -0.05 0.69 0.00 0.00 -0.01 0.00 0.00 54.79 55.42 2bkd n ASP 100 Cb 0.20 -0.46 0.00 0.00 -1.03 0.00 0.00 41.12 39.83 2bkd n ASP 100 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2bkd n ALA 101 N -1.89 -2.41 -2.52 2.12 0.00 -1.26 -5.09 120.51 109.46 2bkd n ALA 101 Ca 0.00 0.07 -0.24 0.00 0.00 0.00 0.00 53.44 53.27 2bkd n ALA 101 Cb 0.00 -0.64 -0.07 0.00 0.00 0.00 0.00 19.45 18.74 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 -1.52 2.74 -0.03 0.00 -4.23 -1.26 -5.03 115.64 106.30 2bkd s THR 102 Ca 0.00 -1.82 0.01 0.00 -1.18 0.00 0.00 61.69 58.70 2bkd s THR 102 Cb 0.00 -2.90 -0.03 0.00 1.34 0.00 0.00 72.50 70.91 2bkd s THR 102 CO 0.00 -0.16 -0.01 0.00 -0.54 0.00 0.00 174.62 173.90 2bkd n TYR 103 N -1.07 0.00 -3.39 3.99 9.36 -1.26 -3.31 117.16 121.48 2bkd n TYR 103 Ca -0.03 0.00 -0.26 0.00 3.32 0.00 0.00 57.90 60.92 2bkd n TYR 103 Cb 0.62 -0.14 -0.09 0.00 -0.63 0.00 0.00 39.34 39.10 2bkd n TYR 103 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 2bkd n ASN 104 N -2.37 0.30 -4.47 2.98 5.15 -1.25 -4.16 115.26 111.44 2bkd n ASN 104 Ca -0.06 -2.61 -0.35 0.00 -0.60 0.00 0.00 54.58 50.96 2bkd n ASN 104 Cb 0.58 -0.60 -0.12 0.00 -0.53 0.00 0.00 39.78 39.11 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 -0.59 3.67 -0.20 1.20 2.56 -0.26 -4.88 118.70 120.19 2bkd s GLU 105 Ca 0.33 -0.49 -0.16 0.00 0.00 0.00 0.00 54.97 54.65 2bkd s GLU 105 Cb 0.07 -3.15 -0.04 0.00 2.00 0.00 0.00 34.13 33.01 2bkd s GLU 105 CO -0.16 -0.01 0.41 0.96 -0.56 0.00 0.00 175.26 175.90 2bkd s ILE 106 N 1.08 5.19 0.24 -3.70 -4.36 -1.26 -0.41 121.20 117.98 2bkd s ILE 106 Ca 0.03 0.73 0.01 0.00 -0.26 0.00 0.00 60.65 61.15 2bkd s ILE 106 Cb -0.14 -3.74 -0.04 0.00 1.25 0.00 0.00 42.46 39.78 2bkd s ILE 106 CO 0.02 0.25 0.12 0.68 0.24 0.00 0.00 174.94 176.25 2bkd s VAL 107 N 1.31 0.29 0.38 8.37 -7.23 -0.56 -4.99 120.40 117.98 2bkd s VAL 107 Ca 0.19 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.44 2bkd s VAL 107 Cb -0.15 -2.56 -0.02 0.00 0.56 0.00 0.00 36.38 34.20 2bkd s VAL 107 CO 0.08 0.00 0.34 0.28 -0.31 0.00 0.00 175.10 175.49 2bkd s THR 108 N -3.91 3.04 -0.88 5.32 -1.32 -1.26 -0.68 115.64 115.95 2bkd s THR 108 Ca 0.38 -1.35 -0.25 0.00 -1.21 0.00 0.00 61.69 59.26 2bkd s THR 108 Cb 0.07 -3.08 -0.05 0.00 -1.51 0.00 0.00 72.50 67.93 2bkd s THR 108 CO 0.14 -0.08 1.97 -0.51 -2.21 0.00 0.00 174.62 173.93 2bkd s ILE 109 N -2.40 3.42 0.09 5.08 1.10 -1.26 -4.51 121.20 122.72 2bkd s ILE 109 Ca 0.45 -0.32 0.00 0.00 -0.51 0.00 0.00 60.65 60.27 2bkd s ILE 109 Cb -0.04 -3.94 0.00 0.00 0.15 0.00 0.00 42.46 38.63 2bkd s ILE 109 CO 0.27 -0.88 0.00 1.21 -2.11 0.00 0.00 174.94 173.43 2bkd n GLU 110 N 8.87 0.00 -2.25 3.50 2.13 -1.26 -4.96 120.64 126.66 2bkd n GLU 110 Ca 0.40 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 58.00 2bkd n GLU 110 Cb 0.47 -0.31 0.02 0.00 0.27 0.00 0.00 31.44 31.89 2bkd n GLU 110 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2bkd n ARG 111 N -3.16 3.28 -3.97 5.31 5.12 -1.26 -5.02 116.66 116.96 2bkd n ARG 111 Ca 0.00 -4.16 -0.36 0.00 -1.93 0.00 0.00 57.85 51.40 2bkd n ARG 111 Cb 0.15 -2.16 -0.08 0.00 -1.16 0.00 0.00 32.46 29.21 2bkd n ARG 111 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2bkd s LEU 112 N -3.58 4.07 0.29 0.55 1.43 -1.26 -1.70 118.68 118.47 2bkd s LEU 112 Ca 0.47 0.27 0.05 0.00 -1.03 0.00 0.00 54.13 53.89 2bkd s LEU 112 Cb 0.40 -2.00 -0.06 0.00 0.03 0.00 0.00 46.19 44.56 2bkd s LEU 112 CO -0.03 0.30 -0.01 -0.60 0.23 0.00 0.00 176.35 176.25 2bkd s ARG 113 N -0.40 1.55 0.15 1.70 6.06 0.47 -4.98 118.95 123.49 2bkd s ARG 113 Ca 0.10 -1.82 -0.00 0.00 -2.50 0.00 0.00 55.73 51.52 2bkd s ARG 113 Cb -0.12 -0.96 0.00 0.00 0.06 0.00 0.00 34.95 33.93 2bkd s ARG 113 CO 0.02 -0.07 0.19 0.45 -2.50 0.00 0.00 175.30 173.39 2bkd n SER 114 N -0.60 -0.53 -2.51 -2.12 2.88 -1.26 -0.82 113.62 108.67 2bkd n SER 114 Ca -0.04 -1.82 -0.05 0.00 -1.33 0.00 0.00 58.87 55.63 2bkd n SER 114 Cb 0.65 1.01 -0.04 0.00 -0.75 0.00 0.00 64.21 65.07 2bkd n SER 114 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2bkd n VAL 115 N -0.25-12.57 -3.82 2.46 0.31 -1.26 -4.96 118.33 98.24 2bkd n VAL 115 Ca 0.01 2.72 -0.30 0.00 -0.01 0.00 0.00 64.34 66.76 2bkd n VAL 115 Cb 0.25 -6.38 -0.14 0.00 -0.91 0.00 0.00 33.84 26.66 2bkd n VAL 115 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2bkd s ASN 116 N -0.62 4.06 -0.44 4.52 0.02 -1.26 -5.02 114.94 116.19 2bkd s ASN 116 Ca -0.25 -2.48 -0.05 0.00 -1.02 0.00 0.00 52.86 49.06 2bkd s ASN 116 Cb 0.02 -1.25 -0.03 0.00 0.02 0.00 0.00 41.25 40.00 2bkd s ASN 116 CO 0.68 -0.30 2.99 -0.81 0.02 0.00 0.00 177.10 179.68 2bkd n PRO 117 N 3.77 2.52 -3.27 -0.60 -0.04 -1.26 -4.68 135.00 131.44 2bkd n PRO 117 Ca 0.05 -2.06 -0.31 0.00 -0.04 0.00 0.00 63.50 61.15 2bkd n PRO 117 Cb 0.36 -2.17 -0.04 0.00 -0.04 0.00 0.00 33.50 31.61 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 0.88 6.56 0.15 3.54 2.20 -1.26 -5.10 114.94 121.92 2bkd s ASN 118 Ca 0.61 0.92 0.04 0.00 -0.94 0.00 0.00 52.86 53.49 2bkd s ASN 118 Cb 0.34 -2.23 -0.04 0.00 -2.00 0.00 0.00 41.25 37.33 2bkd s ASN 118 CO -0.14 -0.18 0.20 -0.54 -2.94 0.00 0.00 177.10 173.50 2bkd s LYS 119 N -3.24 3.15 0.94 3.55 1.02 -1.26 -4.94 119.74 118.96 2bkd s LYS 119 Ca 0.47 -0.73 -0.13 0.00 0.02 0.00 0.00 55.97 55.60 2bkd s LYS 119 Cb -0.11 -2.80 0.16 0.00 -0.52 0.00 0.00 37.83 34.56 2bkd s LYS 119 CO 0.25 0.51 1.16 -1.25 -0.92 0.00 0.00 175.35 175.10 2bkd s PRO 120 N -3.11 0.90 0.20 -1.68 0.04 -1.26 -4.85 135.00 125.24 2bkd s PRO 120 Ca 0.33 0.15 0.05 0.00 0.04 0.00 0.00 61.00 61.57 2bkd s PRO 120 Cb -0.11 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 2bkd s PRO 120 CO 0.26 -2.33 0.20 0.00 0.04 0.00 0.00 177.00 175.16 2bkd s ALA 121 N -3.35 3.67 0.07 8.56 0.00 -1.26 -3.93 121.76 125.51 2bkd s ALA 121 Ca 0.66 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 51.36 2bkd s ALA 121 Cb -0.13 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.55 2bkd s ALA 121 CO 0.53 0.40 0.00 0.25 0.00 0.00 0.00 175.76 176.95 2bkd n THR 122 N -0.74 -1.74 0.00 0.00 -2.24 -1.26 -4.77 114.28 103.52 2bkd n THR 122 Ca -0.08 0.41 0.00 0.00 -2.27 0.00 0.00 64.05 62.11 2bkd n THR 122 Cb 0.56 -1.17 0.00 0.00 -2.10 0.00 0.00 70.33 67.62 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 -0.51 0.00 -0.26 -0.78 4.81 -1.26 -4.37 118.16 115.79 2bkd n LYS 123 Ca 0.00 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.37 2bkd n LYS 123 Cb 0.00 0.00 0.05 0.00 0.02 0.00 0.00 35.03 35.10 2bkd n LYS 123 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 2bkd h ASP 124 N 0.00 1.02 0.01 3.14 1.82 -1.86 -3.28 116.42 117.27 2bkd h ASP 124 Ca 0.00 -0.20 -0.00 0.00 -0.39 0.00 0.00 57.03 56.44 2bkd h ASP 124 Cb 0.00 -0.27 -0.00 0.00 0.68 0.00 0.00 39.33 39.74 2bkd h ASP 124 CO 0.00 0.95 -0.00 0.71 -1.61 0.00 0.00 179.24 179.29 2bkd h THR 125 N 1.04 0.28 -0.37 2.25 1.35 -1.76 -3.46 112.91 112.24 2bkd h THR 125 Ca 0.23 -0.01 -0.29 0.00 -0.55 0.00 0.00 66.41 65.79 2bkd h THR 125 Cb 0.29 1.01 -0.11 0.00 -1.73 0.00 0.00 68.15 67.61 2bkd h THR 125 CO -0.01 0.00 -0.11 0.49 -0.25 0.00 0.00 175.52 175.64 2bkd n PHE 126 N -3.49 0.55 0.00 4.73 3.01 -1.24 -5.04 117.46 115.98 2bkd n PHE 126 Ca -0.03 -1.64 0.00 0.00 1.01 0.00 0.00 57.45 56.79 2bkd n PHE 126 Cb 0.08 -1.50 0.00 0.00 -0.01 0.00 0.00 39.48 38.05 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 1.91 0.00 -2.70 -1.08 0.00 -1.26 -5.02 118.16 110.00 2bkd n LYS 128 Ca 0.44 0.00 -0.42 0.00 0.00 0.00 0.00 58.31 58.33 2bkd n LYS 128 Cb 0.78 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.78 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 4.67 -0.60 3.15 1.01 -1.26 -5.00 121.20 123.17 2bkd s ILE 129 Ca 0.00 2.03 -0.22 0.00 0.00 0.00 0.00 60.65 62.46 2bkd s ILE 129 Cb 0.00 -4.30 0.07 0.00 0.01 0.00 0.00 42.46 38.24 2bkd s ILE 129 CO 0.00 0.22 0.86 -0.54 0.00 0.00 0.00 174.94 175.48 2bkd s LYS 130 N 0.59 3.14 -0.18 2.79 3.01 -1.26 -5.00 119.74 122.83 2bkd s LYS 130 Ca 0.50 -0.82 -0.14 0.00 -1.01 0.00 0.00 55.97 54.51 2bkd s LYS 130 Cb -0.22 -4.18 0.05 0.00 -1.01 0.00 0.00 37.83 32.47 2bkd s LYS 130 CO 0.29 -1.61 0.47 -1.17 0.51 0.00 0.00 175.35 173.83 2bkd s LEU 131 N 3.58 -0.04 -1.25 3.17 2.96 -1.26 -5.07 118.68 120.78 2bkd s LEU 131 Ca 0.21 0.99 -0.13 0.00 -0.22 0.00 0.00 54.13 54.97 2bkd s LEU 131 Cb -0.18 1.59 0.15 0.00 0.50 0.00 0.00 46.19 48.26 2bkd s LEU 131 CO 0.11 -0.18 1.61 -0.90 -1.32 0.00 0.00 176.35 175.67 2bkd n ASP 132 N 3.55 5.11 -4.71 3.68 5.75 -1.26 -5.01 116.55 123.66 2bkd n ASP 132 Ca -0.18 -3.00 -0.42 0.00 -0.01 0.00 0.00 54.79 51.18 2bkd n ASP 132 Cb 0.56 -1.57 -0.03 0.00 -1.03 0.00 0.00 41.12 39.05 2bkd n ASP 132 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 2bkd s VAL 133 N 1.67 4.30 -2.00 2.12 0.11 -1.26 -5.35 120.40 120.00 2bkd s VAL 133 Ca 0.44 1.65 0.27 0.00 -2.93 0.00 0.00 61.98 61.40 2bkd s VAL 133 Cb 0.02 -4.06 0.75 0.00 -1.53 0.00 0.00 36.38 31.56 2bkd s VAL 133 CO 0.01 0.11 1.93 -0.81 -3.33 0.00 0.00 175.10 173.01