#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 0.38 -0.94 0.03 2.02 -1.26 -4.99 118.70 113.94 2bkd s GLU 2 Ca 0.00 -0.26 -0.05 0.00 0.02 0.00 0.00 54.97 54.68 2bkd s GLU 2 Cb 0.00 0.16 -0.05 0.00 0.10 0.00 0.00 34.13 34.33 2bkd s GLU 2 CO 0.00 -0.08 0.82 -1.91 0.02 0.00 0.00 175.26 174.11 2bkd n GLU 3 N 1.89 -2.43 -4.07 1.61 4.07 -1.26 -5.01 120.64 115.43 2bkd n GLU 3 Ca -0.20 0.76 -0.35 0.00 -0.06 0.00 0.00 57.16 57.32 2bkd n GLU 3 Cb 0.56 -5.34 -0.07 0.00 -0.06 0.00 0.00 31.44 26.54 2bkd n GLU 3 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2bkd s LEU 4 N -5.19 4.03 -0.01 4.31 2.01 -1.25 -5.02 118.68 117.56 2bkd s LEU 4 Ca 0.36 0.26 -0.17 0.00 0.01 0.00 0.00 54.13 54.59 2bkd s LEU 4 Cb -0.05 -2.16 -0.06 0.00 0.01 0.00 0.00 46.19 43.94 2bkd s LEU 4 CO 0.65 0.33 0.47 0.68 1.01 0.00 0.00 176.35 179.50 2bkd s VAL 5 N -1.09 4.99 0.32 -1.59 -7.23 -1.26 -0.86 120.40 113.68 2bkd s VAL 5 Ca 0.19 0.98 0.03 0.00 -1.81 0.00 0.00 61.98 61.37 2bkd s VAL 5 Cb -0.12 -3.79 -0.04 0.00 0.56 0.00 0.00 36.38 32.98 2bkd s VAL 5 CO 0.09 0.50 0.12 0.54 -0.31 0.00 0.00 175.10 176.04 2bkd s VAL 6 N -0.60 0.64 0.10 1.32 0.11 -0.34 -4.51 120.40 117.12 2bkd s VAL 6 Ca 0.26 -2.00 0.10 0.00 -2.93 0.00 0.00 61.98 57.41 2bkd s VAL 6 Cb -0.17 -2.56 -0.04 0.00 -1.53 0.00 0.00 36.38 32.08 2bkd s VAL 6 CO 0.14 0.00 -0.25 -1.61 -3.33 0.00 0.00 175.10 170.05 2bkd s GLU 7 N -3.85 1.42 0.21 1.54 8.01 -0.89 -1.51 118.70 123.63 2bkd s GLU 7 Ca 0.33 -1.23 0.11 0.00 0.01 0.00 0.00 54.97 54.19 2bkd s GLU 7 Cb 0.06 -1.78 -0.05 0.00 -4.31 0.00 0.00 34.13 28.05 2bkd s GLU 7 CO 0.15 0.43 -0.20 0.54 0.01 0.00 0.00 175.26 176.20 2bkd s VAL 8 N -1.01 2.57 0.35 2.63 0.11 -0.73 0.02 120.40 124.34 2bkd s VAL 8 Ca 0.11 -2.04 0.08 0.00 -2.93 0.00 0.00 61.98 57.21 2bkd s VAL 8 Cb -0.10 -2.27 -0.05 0.00 -1.53 0.00 0.00 36.38 32.43 2bkd s VAL 8 CO 0.05 -0.19 0.09 0.00 -3.33 0.00 0.00 175.10 171.72 2bkd s ARG 9 N -2.92 2.23 0.00 1.54 3.03 -1.23 -0.52 118.95 121.08 2bkd s ARG 9 Ca 0.24 -1.66 0.00 0.00 2.03 0.00 0.00 55.73 56.34 2bkd s ARG 9 Cb -0.07 -2.05 0.00 0.00 -1.03 0.00 0.00 34.95 31.80 2bkd s ARG 9 CO 0.12 0.10 0.00 0.41 -1.13 0.00 0.00 175.30 174.81 2bkd n GLY 10 N -1.07 -0.52 0.81 3.88 0.00 -0.84 -4.98 105.19 102.46 2bkd n GLY 10 Ca -0.03 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2bkd n GLY 10 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2bkd n SER 11 N 0.00 1.89 -0.01 1.61 2.88 -1.26 -2.69 113.62 116.03 2bkd n SER 11 Ca 0.00 -1.69 -0.12 0.00 -1.33 0.00 0.00 58.87 55.73 2bkd n SER 11 Cb 0.00 -0.42 -0.14 0.00 -0.75 0.00 0.00 64.21 62.90 2bkd n SER 11 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2bkd n ASN 12 N 0.39 1.24 0.00 -3.46 5.15 -1.26 -5.00 115.26 112.31 2bkd n ASN 12 Ca 0.00 0.35 0.00 0.00 -0.60 0.00 0.00 54.58 54.33 2bkd n ASN 12 Cb 0.34 -0.29 0.00 0.00 -0.53 0.00 0.00 39.78 39.30 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 1.69 1.78 0.00 8.20 0.00 -1.10 -5.09 105.19 110.68 2bkd n GLY 13 Ca -0.22 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.27 4.61 0.00 -1.25 -4.94 120.51 116.65 2bkd n ALA 14 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 2bkd n ALA 14 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 2.06 3.79 -0.04 0.00 0.08 -1.26 -1.99 117.98 120.62 2bkd s PHE 15 Ca 0.00 1.27 0.04 0.00 0.12 0.00 0.00 56.93 58.36 2bkd s PHE 15 Cb 0.00 -2.49 -0.00 0.00 -0.57 0.00 0.00 43.02 39.95 2bkd s PHE 15 CO 0.00 0.58 -0.16 1.52 -0.10 0.00 0.00 175.22 177.06 2bkd s TYR 16 N -1.14 1.59 -0.11 0.36 1.13 0.32 -4.95 117.35 114.55 2bkd s TYR 16 Ca 0.30 -0.44 -0.29 0.00 -1.41 0.00 0.00 57.07 55.22 2bkd s TYR 16 Cb -0.19 -1.08 -0.04 0.00 -1.10 0.00 0.00 41.96 39.55 2bkd s TYR 16 CO 0.19 -0.15 1.51 -1.59 -2.51 0.00 0.00 175.55 173.00 2bkd s LYS 17 N 0.04 4.17 -0.02 -3.49 -2.85 -1.26 -1.77 119.74 114.57 2bkd s LYS 17 Ca -0.03 1.95 0.00 0.00 -1.00 0.00 0.00 55.97 56.89 2bkd s LYS 17 Cb -0.11 -3.91 0.02 0.00 -2.06 0.00 0.00 37.83 31.78 2bkd s LYS 17 CO 0.02 -0.83 0.01 0.00 0.10 0.00 0.00 175.35 174.65 2bkd s ALA 18 N 3.92 0.13 -0.12 0.59 0.00 -0.57 -4.81 121.76 120.90 2bkd s ALA 18 Ca 0.66 0.19 -0.00 0.00 0.00 0.00 0.00 51.96 52.81 2bkd s ALA 18 Cb -0.28 -0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 2bkd s ALA 18 CO 0.24 -0.07 -0.11 -0.06 0.00 0.00 0.00 175.76 175.76 2bkd s PHE 19 N 0.79 2.85 -0.05 0.00 0.08 -0.42 -1.20 117.98 120.03 2bkd s PHE 19 Ca -0.07 -0.50 -0.30 0.00 0.12 0.00 0.00 56.93 56.18 2bkd s PHE 19 Cb -0.10 -1.84 -0.05 0.00 -0.57 0.00 0.00 43.02 40.45 2bkd s PHE 19 CO -0.02 -0.11 1.58 0.08 -0.10 0.00 0.00 175.22 176.65 2bkd s VAL 20 N 0.20 3.63 -0.16 -0.44 1.01 -0.04 -0.99 120.40 123.61 2bkd s VAL 20 Ca -0.07 0.82 0.04 0.00 0.00 0.00 0.00 61.98 62.77 2bkd s VAL 20 Cb -0.15 -3.53 -0.12 0.00 0.00 0.00 0.00 36.38 32.58 2bkd s VAL 20 CO 0.05 -0.06 -0.10 0.29 0.00 0.00 0.00 175.10 175.27 2bkd n LYS 21 N 6.76 0.76 -3.75 2.72 4.01 0.52 -3.96 118.16 125.22 2bkd n LYS 21 Ca 0.16 0.07 -0.12 0.00 -0.51 0.00 0.00 58.31 57.92 2bkd n LYS 21 Cb 0.43 -1.34 -0.07 0.00 -0.51 0.00 0.00 35.03 33.54 2bkd n LYS 21 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 2bkd s ASP 22 N -5.39 -0.14 0.40 4.39 2.15 -0.80 -4.95 116.67 112.34 2bkd s ASP 22 Ca -0.19 -0.15 0.05 0.00 0.43 0.00 0.00 52.55 52.69 2bkd s ASP 22 Cb 0.05 0.35 -0.06 0.00 -0.30 0.00 0.00 42.92 42.97 2bkd s ASP 22 CO 0.42 -0.60 0.03 0.68 -0.17 0.00 0.00 175.17 175.54 2bkd s VAL 23 N -2.40 1.58 -0.07 1.11 -7.23 -1.26 -1.14 120.40 110.99 2bkd s VAL 23 Ca -0.06 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 57.95 2bkd s VAL 23 Cb -0.01 -2.78 -0.30 0.00 0.56 0.00 0.00 36.38 33.85 2bkd s VAL 23 CO -0.02 0.00 0.69 -0.08 -0.31 0.00 0.00 175.10 175.38 2bkd h GLU 25 N 1.79 0.32 0.21 4.82 4.81 -2.05 -3.49 114.58 120.98 2bkd h GLU 25 Ca -0.43 -0.54 -0.33 0.00 -0.13 0.00 0.00 59.36 57.94 2bkd h GLU 25 Cb 1.26 0.20 0.02 0.00 0.63 0.00 0.00 28.75 30.86 2bkd h GLU 25 CO 0.76 1.26 -1.50 -0.44 -0.73 0.00 0.00 179.01 178.35 2bkd h ASP 26 N -0.19 0.69 -5.29 1.04 3.32 -2.04 -3.50 116.42 110.45 2bkd h ASP 26 Ca -0.27 -0.80 -0.11 0.00 0.02 0.00 0.00 57.03 55.86 2bkd h ASP 26 Cb 1.84 -0.22 -0.13 0.00 0.22 0.00 0.00 39.33 41.04 2bkd h ASP 26 CO 0.12 1.64 -0.35 -0.94 -1.72 0.00 0.00 179.24 177.99 2bkd s SER 27 N -7.40 0.06 -0.05 6.45 1.04 -1.26 -4.24 113.70 108.31 2bkd s SER 27 Ca -0.09 -0.93 0.04 0.00 0.48 0.00 0.00 55.95 55.45 2bkd s SER 27 Cb 0.05 0.43 -0.00 0.00 0.10 0.00 0.00 66.02 66.60 2bkd s SER 27 CO 0.91 -0.89 -0.18 -0.51 0.98 0.00 0.00 173.24 173.55 2bkd s ILE 28 N -3.99 1.51 -0.20 -1.02 2.07 -0.07 -4.51 121.20 114.99 2bkd s ILE 28 Ca 0.19 -0.76 -0.07 0.00 -1.41 0.00 0.00 60.65 58.60 2bkd s ILE 28 Cb 0.04 -1.29 -0.04 0.00 0.13 0.00 0.00 42.46 41.29 2bkd s ILE 28 CO 0.01 0.43 0.06 -0.89 -1.91 0.00 0.00 174.94 172.65 2bkd s THR 29 N 0.04 4.64 -0.00 4.00 2.01 -0.29 -1.48 115.64 124.56 2bkd s THR 29 Ca -0.04 -0.08 -0.01 0.00 0.31 0.00 0.00 61.69 61.87 2bkd s THR 29 Cb -0.12 -3.11 -0.00 0.00 0.01 0.00 0.00 72.50 69.28 2bkd s THR 29 CO 0.03 0.42 0.01 0.68 -0.69 0.00 0.00 174.62 175.07 2bkd s VAL 30 N 0.75 0.03 0.00 3.82 -7.23 -0.39 -0.35 120.40 117.02 2bkd s VAL 30 Ca 0.03 -0.21 -0.04 0.00 -1.81 0.00 0.00 61.98 59.95 2bkd s VAL 30 Cb -0.13 -0.10 -0.01 0.00 0.56 0.00 0.00 36.38 36.70 2bkd s VAL 30 CO 0.02 -0.12 0.07 0.00 -0.31 0.00 0.00 175.10 174.76 2bkd s ALA 31 N -0.34 -0.16 0.14 1.32 0.00 -0.16 -0.78 121.76 121.77 2bkd s ALA 31 Ca -0.04 -0.24 0.06 0.00 0.00 0.00 0.00 51.96 51.74 2bkd s ALA 31 Cb -0.02 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 2bkd s ALA 31 CO -0.00 -0.17 0.01 -0.06 0.00 0.00 0.00 175.76 175.54 2bkd s PHE 32 N -1.21 2.93 0.00 0.00 0.40 -0.10 -1.31 117.98 118.70 2bkd s PHE 32 Ca -0.13 -0.08 0.00 0.00 -0.60 0.00 0.00 56.93 56.12 2bkd s PHE 32 Cb -0.07 -1.46 0.00 0.00 0.51 0.00 0.00 43.02 42.00 2bkd s PHE 32 CO 0.00 0.50 0.83 -1.91 0.70 0.00 0.00 175.22 175.35 2bkd n GLU 33 N 0.15 0.52 -1.43 0.44 2.13 -1.26 -4.70 120.64 116.49 2bkd n GLU 33 Ca -0.10 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.57 2bkd n GLU 33 Cb 0.54 -1.24 -0.06 0.00 0.27 0.00 0.00 31.44 30.94 2bkd n GLU 33 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2bkd n ASN 34 N 1.36 -5.56 0.06 4.31 3.02 -1.26 -4.87 115.26 112.32 2bkd n ASN 34 Ca 0.00 0.37 0.13 0.00 -0.03 0.00 0.00 54.58 55.04 2bkd n ASN 34 Cb 0.26 -4.36 0.49 0.00 -0.61 0.00 0.00 39.78 35.56 2bkd n ASN 34 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 2bkd n ASN 35 N -1.18 0.42 0.03 6.41 6.94 -1.26 -4.61 115.26 122.01 2bkd n ASN 35 Ca -0.15 0.55 0.00 0.00 -0.02 0.00 0.00 54.58 54.96 2bkd n ASN 35 Cb 0.61 -0.66 0.00 0.00 -2.36 0.00 0.00 39.78 37.37 2bkd n ASN 35 CO 0.00 0.00 0.00 -2.67 -1.03 0.00 0.00 177.26 173.56 2bkd n TRP 36 N -1.91 -2.26 -3.59 -2.53 4.27 -1.26 -4.94 117.44 105.21 2bkd n TRP 36 Ca 0.06 0.16 -0.11 0.00 -3.89 0.00 0.00 57.50 53.72 2bkd n TRP 36 Cb 0.35 0.83 -0.04 0.00 -1.36 0.00 0.00 31.31 31.10 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 -2.00 1.21 0.00 -2.67 1.03 -1.26 -5.15 119.66 110.82 2bkd s GLN 37 Ca 0.00 -0.67 0.00 0.00 0.04 0.00 0.00 55.36 54.73 2bkd s GLN 37 Cb 0.00 0.52 0.00 0.00 0.03 0.00 0.00 33.01 33.56 2bkd s GLN 37 CO 0.00 -0.50 0.00 -0.35 -2.54 0.00 0.00 175.29 171.90 2bkd n PRO 38 N -0.30 0.00 -3.88 9.60 -0.04 -1.26 -4.45 135.00 134.66 2bkd n PRO 38 Ca -0.15 0.09 -0.13 0.00 -0.04 0.00 0.00 63.50 63.27 2bkd n PRO 38 Cb 0.64 -0.46 -0.14 0.00 -0.04 0.00 0.00 33.50 33.50 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 -1.62 0.07 0.06 3.54 2.15 -1.26 -0.93 116.67 118.68 2bkd s ASP 39 Ca 0.00 -0.00 -0.05 0.00 0.43 0.00 0.00 52.55 52.92 2bkd s ASP 39 Cb 0.00 -0.02 -0.02 0.00 -0.30 0.00 0.00 42.92 42.58 2bkd s ASP 39 CO 0.00 -0.01 0.09 -0.60 -0.17 0.00 0.00 175.17 174.48 2bkd s ARG 40 N 0.13 0.69 -0.15 4.34 6.06 0.04 -5.01 118.95 125.06 2bkd s ARG 40 Ca -0.01 -0.97 0.02 0.00 -2.50 0.00 0.00 55.73 52.27 2bkd s ARG 40 Cb -0.02 0.27 0.01 0.00 0.06 0.00 0.00 34.95 35.27 2bkd s ARG 40 CO -0.00 -0.18 -0.20 -1.14 -2.50 0.00 0.00 175.30 171.28 2bkd s GLN 41 N -3.47 2.81 0.05 5.12 0.74 -1.26 -1.26 119.66 122.38 2bkd s GLN 41 Ca 0.02 -0.77 0.08 0.00 0.05 0.00 0.00 55.36 54.75 2bkd s GLN 41 Cb 0.04 -2.35 -0.03 0.00 1.10 0.00 0.00 33.01 31.77 2bkd s GLN 41 CO -0.09 -0.10 -0.23 0.42 -0.55 0.00 0.00 175.29 174.75 2bkd s ILE 42 N 1.04 1.84 0.78 -2.34 1.01 -0.55 -4.98 121.20 118.01 2bkd s ILE 42 Ca -0.02 -1.29 -0.10 0.00 0.00 0.00 0.00 60.65 59.23 2bkd s ILE 42 Cb -0.14 -1.60 0.06 0.00 0.01 0.00 0.00 42.46 40.79 2bkd s ILE 42 CO -0.06 0.24 1.10 -2.16 0.00 0.00 0.00 174.94 174.06 2bkd s PRO 43 N -1.25 2.17 0.00 2.79 0.04 -1.26 -0.89 135.00 136.59 2bkd s PRO 43 Ca 0.09 1.19 -0.01 0.00 0.04 0.00 0.00 61.00 62.32 2bkd s PRO 43 Cb -0.09 -1.89 -0.02 0.00 0.04 0.00 0.00 34.50 32.54 2bkd s PRO 43 CO 0.02 -1.71 0.73 1.19 0.04 0.00 0.00 177.00 177.27 2bkd n PHE 44 N -3.57 0.00 0.00 0.56 3.72 -1.26 -2.47 117.46 114.43 2bkd n PHE 44 Ca 0.09 -0.15 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 2bkd n PHE 44 Cb 0.53 -0.49 0.00 0.00 -0.94 0.00 0.00 39.48 38.58 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 2.80 0.00 -4.64 4.37 8.00 -1.26 -4.58 116.55 121.25 2bkd n ASP 46 Ca 0.04 0.00 -0.38 0.00 0.71 0.00 0.00 54.79 55.16 2bkd n ASP 46 Cb 0.09 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.10 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 -0.07 5.24 -0.18 2.53 1.01 -1.03 -3.53 120.40 124.37 2bkd s VAL 47 Ca 0.00 0.48 -0.02 0.00 0.00 0.00 0.00 61.98 62.44 2bkd s VAL 47 Cb 0.00 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.73 2bkd s VAL 47 CO 0.00 0.25 -0.10 -0.60 0.00 0.00 0.00 175.10 174.65 2bkd s ARG 48 N 1.53 3.32 -0.39 2.72 3.52 0.10 -4.49 118.95 125.27 2bkd s ARG 48 Ca 0.14 -0.68 -0.21 0.00 -0.13 0.00 0.00 55.73 54.85 2bkd s ARG 48 Cb -0.15 -2.80 0.01 0.00 -1.56 0.00 0.00 34.95 30.45 2bkd s ARG 48 CO 0.08 -0.05 0.67 -0.06 -0.81 0.00 0.00 175.30 175.12 2bkd s PHE 49 N 1.05 3.11 -0.17 5.12 0.08 0.21 -2.09 117.98 125.29 2bkd s PHE 49 Ca -0.00 0.25 -0.28 0.00 0.12 0.00 0.00 56.93 57.02 2bkd s PHE 49 Cb -0.15 -3.26 -0.00 0.00 -0.57 0.00 0.00 43.02 39.03 2bkd s PHE 49 CO -0.02 -0.73 0.96 -1.25 -0.10 0.00 0.00 175.22 174.09 2bkd s PRO 50 N 2.83 4.32 0.00 0.24 0.04 -1.26 -4.95 135.00 136.23 2bkd s PRO 50 Ca 0.25 1.26 -0.25 0.00 0.04 0.00 0.00 61.00 62.31 2bkd s PRO 50 Cb -0.14 -3.59 -0.15 0.00 0.04 0.00 0.00 34.50 30.67 2bkd s PRO 50 CO 0.17 -0.43 1.09 -1.35 0.04 0.00 0.00 177.00 176.51 2bkd h PRO 51 N 7.31 -0.68 -7.38 0.56 0.11 -1.96 -3.47 132.00 126.49 2bkd h PRO 51 Ca -0.26 0.05 -0.46 0.00 0.11 0.00 0.00 66.00 65.44 2bkd h PRO 51 Cb 1.11 0.15 0.09 0.00 0.11 0.00 0.00 31.00 32.47 2bkd h PRO 51 CO 0.89 -0.38 0.26 -1.25 -0.21 0.00 0.00 178.00 177.31 2bkd s PRO 52 N -4.49 1.97 0.10 1.05 0.04 -1.26 -5.04 135.00 127.37 2bkd s PRO 52 Ca -0.13 -0.29 0.00 0.00 0.04 0.00 0.00 61.00 60.61 2bkd s PRO 52 Cb 0.02 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.43 2bkd s PRO 52 CO 0.44 -1.42 0.00 1.55 0.04 0.00 0.00 177.00 177.62 2bkd n VAL 53 N -3.05 0.84 -3.20 -0.36 3.14 -1.26 -4.99 118.33 109.45 2bkd n VAL 53 Ca 0.09 0.28 -0.41 0.00 -2.96 0.00 0.00 64.34 61.34 2bkd n VAL 53 Cb 0.60 -1.44 -0.07 0.00 -1.06 0.00 0.00 33.84 31.87 2bkd n VAL 53 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 2bkd s GLY 54 N -4.33 1.80 -0.02 7.55 0.00 -1.26 -5.05 107.32 106.01 2bkd s GLY 54 Ca 0.00 -0.92 0.03 0.00 0.00 0.00 0.00 44.72 43.83 2bkd s GLY 54 CO 0.00 1.34 -0.11 -0.47 0.00 0.00 0.00 173.10 173.86 2bkd s TYR 55 N 2.49 1.06 0.00 1.90 5.04 -1.26 -5.09 117.35 121.49 2bkd s TYR 55 Ca 0.21 -0.25 0.00 0.00 -2.44 0.00 0.00 57.07 54.59 2bkd s TYR 55 Cb -0.15 -0.72 0.00 0.00 0.35 0.00 0.00 41.96 41.43 2bkd s TYR 55 CO 0.13 -0.08 0.00 -1.71 -1.34 0.00 0.00 175.55 172.56 2bkd n ASN 56 N 3.10 0.00 -0.79 4.32 4.05 -1.26 -5.17 115.26 119.50 2bkd n ASN 56 Ca -0.17 0.00 0.10 0.00 0.45 0.00 0.00 54.58 54.96 2bkd n ASN 56 Cb 0.55 0.00 -0.05 0.00 1.23 0.00 0.00 39.78 41.51 2bkd n ASN 56 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 2bkd n LYS 57 N 0.00 -1.81 -2.94 1.20 4.01 -1.26 -4.92 118.16 112.44 2bkd n LYS 57 Ca 0.00 1.46 -0.37 0.00 -0.51 0.00 0.00 58.31 58.89 2bkd n LYS 57 Cb 0.00 -2.13 -0.06 0.00 -0.51 0.00 0.00 35.03 32.33 2bkd n LYS 57 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2bkd s ASP 58 N -5.91 7.21 0.28 4.39 1.01 -1.26 -5.08 116.67 117.31 2bkd s ASP 58 Ca 0.00 1.64 0.06 0.00 0.71 0.00 0.00 52.55 54.96 2bkd s ASP 58 Cb 0.00 -2.50 -0.03 0.00 1.01 0.00 0.00 42.92 41.40 2bkd s ASP 58 CO 0.00 -0.01 0.30 -0.51 0.21 0.00 0.00 175.17 175.16 2bkd s ILE 59 N -1.55 4.46 -1.37 0.77 -1.16 -1.26 -5.01 121.20 116.08 2bkd s ILE 59 Ca 0.46 -1.22 -0.16 0.00 -0.51 0.00 0.00 60.65 59.22 2bkd s ILE 59 Cb -0.18 -3.50 0.06 0.00 0.61 0.00 0.00 42.46 39.45 2bkd s ILE 59 CO 0.23 -0.29 1.96 0.59 -2.81 0.00 0.00 174.94 174.62 2bkd n ASN 60 N -1.35 4.46 -0.01 4.50 4.13 -1.26 -4.79 115.26 120.94 2bkd n ASN 60 Ca -0.06 -2.89 0.16 0.00 1.68 0.00 0.00 54.58 53.47 2bkd n ASN 60 Cb 0.58 -1.71 0.90 0.00 -1.54 0.00 0.00 39.78 38.01 2bkd n ASN 60 CO 0.00 0.00 0.00 -1.84 0.28 0.00 0.00 177.26 175.70 2bkd n GLU 61 N 7.29 0.90 -0.09 3.52 0.28 -1.26 -2.15 120.64 129.13 2bkd n GLU 61 Ca 0.50 -0.02 0.11 0.00 -0.16 0.00 0.00 57.16 57.59 2bkd n GLU 61 Cb 0.43 -1.50 0.15 0.00 1.43 0.00 0.00 31.44 31.95 2bkd n GLU 61 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2bkd n SER 62 N -1.03 3.15 0.00 -1.84 2.88 -1.26 -4.24 113.62 111.27 2bkd n SER 62 Ca 0.22 -1.96 0.00 0.00 -1.33 0.00 0.00 58.87 55.80 2bkd n SER 62 Cb 0.14 -0.12 0.00 0.00 -0.75 0.00 0.00 64.21 63.49 2bkd n SER 62 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2bkd n ASP 63 N 1.36 0.00 -4.33 -3.46 9.92 -0.91 -4.78 116.55 114.35 2bkd n ASP 63 Ca 0.16 0.00 -0.32 0.00 -0.53 0.00 0.00 54.79 54.10 2bkd n ASP 63 Cb 0.58 0.00 -0.16 0.00 -0.64 0.00 0.00 41.12 40.91 2bkd n ASP 63 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 2bkd s GLU 64 N 4.79 2.52 0.18 -1.24 2.02 -1.26 -1.90 118.70 123.82 2bkd s GLU 64 Ca 0.00 -0.85 -0.01 0.00 0.02 0.00 0.00 54.97 54.13 2bkd s GLU 64 Cb 0.00 -2.22 -0.04 0.00 0.10 0.00 0.00 34.13 31.97 2bkd s GLU 64 CO 0.00 0.45 0.09 0.14 0.02 0.00 0.00 175.26 175.96 2bkd s VAL 65 N -0.32 0.11 -0.14 2.63 -7.23 0.08 -4.69 120.40 110.85 2bkd s VAL 65 Ca 0.02 -1.97 -0.05 0.00 -1.81 0.00 0.00 61.98 58.16 2bkd s VAL 65 Cb -0.13 -2.32 -0.04 0.00 0.56 0.00 0.00 36.38 34.46 2bkd s VAL 65 CO 0.02 -0.20 0.06 -1.61 -0.31 0.00 0.00 175.10 173.07 2bkd s GLU 66 N -4.10 3.53 -0.30 4.82 2.02 -0.59 -1.26 118.70 122.82 2bkd s GLU 66 Ca 0.33 -0.31 -0.06 0.00 0.02 0.00 0.00 54.97 54.94 2bkd s GLU 66 Cb 0.07 -3.07 0.02 0.00 0.10 0.00 0.00 34.13 31.25 2bkd s GLU 66 CO 0.08 0.53 0.07 0.14 0.02 0.00 0.00 175.26 176.11 2bkd s VAL 67 N -0.37 3.82 -0.02 2.63 -7.23 -0.10 -0.54 120.40 118.58 2bkd s VAL 67 Ca 0.09 -0.84 -0.17 0.00 -1.81 0.00 0.00 61.98 59.25 2bkd s VAL 67 Cb -0.12 -3.02 -0.05 0.00 0.56 0.00 0.00 36.38 33.75 2bkd s VAL 67 CO 0.02 0.02 0.48 -0.72 -0.31 0.00 0.00 175.10 174.59 2bkd s TYR 68 N 1.46 3.67 0.13 2.82 1.13 -0.94 -1.53 117.35 124.10 2bkd s TYR 68 Ca 0.01 1.04 0.05 0.00 -1.41 0.00 0.00 57.07 56.76 2bkd s TYR 68 Cb -0.18 -2.45 -0.04 0.00 -1.10 0.00 0.00 41.96 38.20 2bkd s TYR 68 CO 0.02 0.45 0.07 0.45 -2.51 0.00 0.00 175.55 174.03 2bkd s SER 69 N -0.44 5.30 0.27 -0.18 0.15 -1.26 -4.95 113.70 112.59 2bkd s SER 69 Ca 0.26 -0.15 -0.27 0.00 0.70 0.00 0.00 55.95 56.49 2bkd s SER 69 Cb -0.17 -1.33 -0.09 0.00 -1.71 0.00 0.00 66.02 62.71 2bkd s SER 69 CO 0.14 0.12 0.92 0.00 1.20 0.00 0.00 173.24 175.61 2bkd s ARG 70 N -2.75 4.68 0.38 5.44 3.03 -1.26 -4.99 118.95 123.48 2bkd s ARG 70 Ca 0.29 1.36 0.12 0.00 2.03 0.00 0.00 55.73 59.53 2bkd s ARG 70 Cb -0.11 -3.04 0.75 0.00 -1.03 0.00 0.00 34.95 31.52 2bkd s ARG 70 CO 0.21 0.41 1.85 0.00 -1.13 0.00 0.00 175.30 176.64 2bkd h ALA 71 N 3.67 1.42 -3.00 7.88 0.00 -2.00 -3.44 119.26 123.80 2bkd h ALA 71 Ca -0.46 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.15 2bkd h ALA 71 Cb 1.20 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2bkd h ALA 71 CO 0.66 0.43 0.00 0.09 0.00 0.00 0.00 179.25 180.43 2bkd n ASN 72 N -4.15 0.00 0.00 0.00 3.02 -1.26 -4.92 115.26 107.95 2bkd n ASN 72 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 2bkd n ASN 72 Cb 0.37 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.54 2bkd n ASN 72 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2bkd n GLU 73 N 0.00 0.00 -2.89 3.52 -0.58 -1.26 -4.63 120.64 114.80 2bkd n GLU 73 Ca 0.00 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.63 2bkd n GLU 73 Cb 0.00 0.00 0.05 0.00 -0.57 0.00 0.00 31.44 30.92 2bkd n GLU 73 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2bkd n LYS 74 N 0.00 -4.09 0.00 3.49 4.81 -1.26 -5.03 118.16 116.08 2bkd n LYS 74 Ca 0.00 0.51 0.00 0.00 -0.87 0.00 0.00 58.31 57.95 2bkd n LYS 74 Cb 0.00 -4.55 0.00 0.00 0.02 0.00 0.00 35.03 30.50 2bkd n LYS 74 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2bkd n GLU 75 N -2.93 0.00 -1.94 1.64 1.02 -1.26 -5.00 120.64 112.17 2bkd n GLU 75 Ca -0.16 0.11 -0.29 0.00 -0.02 0.00 0.00 57.16 56.80 2bkd n GLU 75 Cb 0.60 -0.56 0.10 0.00 -0.02 0.00 0.00 31.44 31.57 2bkd n GLU 75 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2bkd s PRO 76 N -0.86 1.75 0.03 3.49 0.04 -1.26 -5.03 135.00 133.16 2bkd s PRO 76 Ca 0.00 -0.03 -0.00 0.00 0.04 0.00 0.00 61.00 61.00 2bkd s PRO 76 Cb 0.00 -1.96 -0.00 0.00 0.04 0.00 0.00 34.50 32.58 2bkd s PRO 76 CO 0.00 -1.70 -0.01 0.00 0.04 0.00 0.00 177.00 175.33 2bkd n TRP 79 N 4.24 0.00 0.00 0.00 -0.00 -1.26 -5.06 117.44 115.35 2bkd n TRP 79 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.42 2bkd n TRP 79 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.82 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 0.00 0.00 -5.01 5.87 7.02 -0.58 -4.74 117.44 120.00 2bkd n TRP 80 Ca 0.00 0.00 -0.28 0.00 -1.02 0.00 0.00 57.50 56.20 2bkd n TRP 80 Cb 0.00 0.00 -0.16 0.00 -2.42 0.00 0.00 31.31 28.73 2bkd n TRP 80 CO 0.00 0.00 0.00 -0.48 -2.02 0.00 0.00 177.69 175.19 2bkd s LEU 81 N 0.00 1.99 0.05 -0.99 2.34 -1.26 -0.93 118.68 119.89 2bkd s LEU 81 Ca 0.00 -0.41 -0.06 0.00 0.06 0.00 0.00 54.13 53.72 2bkd s LEU 81 Cb 0.00 -1.12 -0.01 0.00 -0.56 0.00 0.00 46.19 44.50 2bkd s LEU 81 CO 0.00 0.21 0.11 0.00 -1.06 0.00 0.00 176.35 175.61 2bkd s ALA 82 N -0.17 -0.06 -0.20 1.48 0.00 -0.39 -2.26 121.76 120.16 2bkd s ALA 82 Ca -0.00 -0.62 -0.01 0.00 0.00 0.00 0.00 51.96 51.32 2bkd s ALA 82 Cb -0.11 0.31 0.01 0.00 0.00 0.00 0.00 23.12 23.33 2bkd s ALA 82 CO 0.02 -0.38 -0.13 -1.59 0.00 0.00 0.00 175.76 173.68 2bkd s LYS 83 N -3.08 3.14 -0.12 0.00 0.00 -0.43 -0.74 119.74 118.50 2bkd s LYS 83 Ca -0.01 -0.75 -0.07 0.00 0.00 0.00 0.00 55.97 55.14 2bkd s LYS 83 Cb 0.02 -2.76 -0.04 0.00 0.00 0.00 0.00 37.83 35.05 2bkd s LYS 83 CO -0.07 -0.21 0.14 0.08 0.00 0.00 0.00 175.35 175.29 2bkd s VAL 84 N 1.37 5.50 -0.25 1.79 1.01 -0.80 -1.44 120.40 127.58 2bkd s VAL 84 Ca 0.05 0.20 -0.17 0.00 0.00 0.00 0.00 61.98 62.06 2bkd s VAL 84 Cb -0.14 -3.40 -0.14 0.00 0.00 0.00 0.00 36.38 32.70 2bkd s VAL 84 CO -0.09 0.62 -0.14 -1.14 0.00 0.00 0.00 175.10 174.35 2bkd n ARG 85 N 1.97 0.58 -2.85 2.72 3.00 -1.09 -4.04 116.66 116.95 2bkd n ARG 85 Ca -0.20 0.38 -0.01 0.00 -0.00 0.00 0.00 57.85 58.02 2bkd n ARG 85 Cb 0.55 -1.59 0.01 0.00 0.00 0.00 0.00 32.46 31.43 2bkd n ARG 85 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.63 177.51 2bkd n MET 86 N -4.33 0.31 -3.42 -0.14 1.56 -1.26 -4.58 117.12 105.27 2bkd n MET 86 Ca -0.45 -0.74 -0.38 0.00 -0.27 0.00 0.00 57.70 55.86 2bkd n MET 86 Cb 0.80 1.03 -0.07 0.00 2.15 0.00 0.00 33.22 37.13 2bkd n MET 86 CO 0.00 0.00 0.00 0.42 -0.73 0.00 0.00 175.97 175.66 2bkd s ILE 87 N -2.24 5.23 -0.58 1.12 1.09 -1.26 -1.21 121.20 123.34 2bkd s ILE 87 Ca 0.14 0.71 -0.09 0.00 -1.10 0.00 0.00 60.65 60.30 2bkd s ILE 87 Cb -0.01 -3.72 0.15 0.00 -1.06 0.00 0.00 42.46 37.82 2bkd s ILE 87 CO 0.02 0.31 0.47 -0.54 -0.10 0.00 0.00 174.94 175.10 2bkd s LYS 88 N 0.91 2.77 2.94 2.79 -0.14 0.13 -4.95 119.74 124.19 2bkd s LYS 88 Ca 0.20 -2.07 0.00 0.00 -1.36 0.00 0.00 55.97 52.74 2bkd s LYS 88 Cb -0.14 -4.02 0.00 0.00 -1.68 0.00 0.00 37.83 31.99 2bkd s LYS 88 CO 0.07 -1.22 0.00 0.41 -0.76 0.00 0.00 175.35 173.85 2bkd n GLY 89 N 4.44 1.19 0.03 -3.33 0.00 -1.26 -1.70 105.19 104.56 2bkd n GLY 89 Ca -0.00 0.31 0.04 0.00 0.00 0.00 0.00 46.02 46.37 2bkd n GLY 89 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2bkd n GLU 90 N 0.00 0.73 -4.33 1.61 4.71 -1.26 -5.02 120.64 117.08 2bkd n GLU 90 Ca 0.00 -0.13 -0.33 0.00 -0.01 0.00 0.00 57.16 56.69 2bkd n GLU 90 Cb 0.00 -1.45 -0.09 0.00 -1.01 0.00 0.00 31.44 28.88 2bkd n GLU 90 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 2bkd s PHE 91 N -3.07 3.06 -0.22 -0.32 0.08 -0.69 -4.83 117.98 111.98 2bkd s PHE 91 Ca -0.07 0.08 -0.11 0.00 0.12 0.00 0.00 56.93 56.95 2bkd s PHE 91 Cb 0.10 -1.68 -0.05 0.00 -0.57 0.00 0.00 43.02 40.82 2bkd s PHE 91 CO 0.78 0.45 0.16 0.71 -0.10 0.00 0.00 175.22 177.21 2bkd s TYR 92 N -1.04 3.35 -0.32 0.36 1.51 0.70 0.19 117.35 122.11 2bkd s TYR 92 Ca 0.18 0.28 -0.12 0.00 -1.01 0.00 0.00 57.07 56.40 2bkd s TYR 92 Cb -0.11 -2.24 -0.03 0.00 -0.11 0.00 0.00 41.96 39.47 2bkd s TYR 92 CO 0.09 0.15 0.22 0.08 -1.11 0.00 0.00 175.55 174.97 2bkd s VAL 93 N 0.80 5.28 -0.08 0.71 1.01 -0.35 -1.63 120.40 126.14 2bkd s VAL 93 Ca 0.08 -0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.01 2bkd s VAL 93 Cb -0.13 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 2bkd s VAL 93 CO 0.02 0.09 -0.15 -0.63 0.00 0.00 0.00 175.10 174.43 2bkd s ILE 94 N 1.73 2.93 -0.05 2.22 -1.09 0.44 -2.68 121.20 124.70 2bkd s ILE 94 Ca 0.06 -0.75 0.00 0.00 -2.23 0.00 0.00 60.65 57.74 2bkd s ILE 94 Cb -0.17 -2.17 -0.03 0.00 -1.58 0.00 0.00 42.46 38.51 2bkd s ILE 94 CO 0.11 0.57 -0.04 -1.61 -1.23 0.00 0.00 174.94 172.74 2bkd s GLU 95 N -0.30 2.80 -0.01 2.79 2.02 -0.52 -0.87 118.70 124.62 2bkd s GLU 95 Ca 0.02 -0.54 -0.02 0.00 0.02 0.00 0.00 54.97 54.45 2bkd s GLU 95 Cb -0.13 -2.65 -0.04 0.00 0.10 0.00 0.00 34.13 31.41 2bkd s GLU 95 CO 0.03 0.66 0.18 0.71 0.02 0.00 0.00 175.26 176.86 2bkd s TYR 96 N -0.90 3.53 -0.38 1.61 2.02 -1.26 -1.32 117.35 120.65 2bkd s TYR 96 Ca 0.14 0.34 -0.15 0.00 -0.37 0.00 0.00 57.07 57.04 2bkd s TYR 96 Cb -0.11 -1.82 0.01 0.00 -0.40 0.00 0.00 41.96 39.63 2bkd s TYR 96 CO 0.04 0.64 0.32 0.00 -1.57 0.00 0.00 175.55 174.98 2bkd s ALA 97 N -1.33 3.48 0.00 3.71 0.00 -0.96 -4.73 121.76 121.94 2bkd s ALA 97 Ca 0.27 -1.51 0.00 0.00 0.00 0.00 0.00 51.96 50.73 2bkd s ALA 97 Cb -0.13 -2.86 0.00 0.00 0.00 0.00 0.00 23.12 20.14 2bkd s ALA 97 CO 0.19 -1.30 0.00 0.00 0.00 0.00 0.00 175.76 174.65 2bkd n ALA 98 N 5.27 0.05 -2.44 0.00 0.00 -1.26 -4.78 120.51 117.37 2bkd n ALA 98 Ca -0.10 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.37 2bkd n ALA 98 Cb 0.48 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.97 2bkd n ALA 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bkd n ASP 100 N 0.20 -5.45 0.16 0.00 8.00 -1.26 -4.86 116.55 113.35 2bkd n ASP 100 Ca 0.08 0.33 0.06 0.00 0.71 0.00 0.00 54.79 55.97 2bkd n ASP 100 Cb 1.06 -4.73 0.07 0.00 -0.02 0.00 0.00 41.12 37.50 2bkd n ASP 100 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2bkd h ALA 101 N 0.39 0.77 -2.34 2.24 0.00 -1.95 -3.45 119.26 114.92 2bkd h ALA 101 Ca -0.43 -0.31 -0.51 0.00 0.00 0.00 0.00 54.91 53.66 2bkd h ALA 101 Cb 1.33 -0.04 0.09 0.00 0.00 0.00 0.00 17.79 19.16 2bkd h ALA 101 CO 0.59 0.42 0.37 0.95 0.00 0.00 0.00 179.25 181.58 2bkd s THR 102 N -3.05 3.85 0.00 0.00 -4.23 -1.26 -5.07 115.64 105.88 2bkd s THR 102 Ca 0.05 0.71 0.00 0.00 -1.18 0.00 0.00 61.69 61.26 2bkd s THR 102 Cb 0.07 -3.33 0.00 0.00 1.34 0.00 0.00 72.50 70.58 2bkd s THR 102 CO 0.72 -0.68 0.00 -1.22 -0.54 0.00 0.00 174.62 172.90 2bkd n TYR 103 N -2.75 0.00 -3.88 3.99 4.02 -1.26 -4.94 117.16 112.34 2bkd n TYR 103 Ca 0.08 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.82 2bkd n TYR 103 Cb 0.53 0.00 -0.16 0.00 -0.02 0.00 0.00 39.34 39.70 2bkd n TYR 103 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 2bkd s ASN 104 N 0.03 0.22 -0.03 7.72 -0.87 -1.26 -4.68 114.94 116.08 2bkd s ASN 104 Ca 0.00 -0.00 0.07 0.00 -1.57 0.00 0.00 52.86 51.36 2bkd s ASN 104 Cb 0.00 -0.11 -0.02 0.00 -0.02 0.00 0.00 41.25 41.10 2bkd s ASN 104 CO 0.00 -0.08 -0.24 -0.70 -2.57 0.00 0.00 177.10 173.51 2bkd s GLU 105 N 0.76 2.22 -0.30 -0.60 2.56 -0.05 -4.90 118.70 118.39 2bkd s GLU 105 Ca -0.07 -0.88 -0.13 0.00 0.00 0.00 0.00 54.97 53.88 2bkd s GLU 105 Cb -0.10 -2.11 -0.03 0.00 2.00 0.00 0.00 34.13 33.88 2bkd s GLU 105 CO -0.02 0.56 0.29 0.96 -0.56 0.00 0.00 175.26 176.49 2bkd s ILE 106 N -0.60 5.23 0.32 -3.70 -4.36 -1.26 -0.42 121.20 116.42 2bkd s ILE 106 Ca 0.09 0.21 0.03 0.00 -0.26 0.00 0.00 60.65 60.72 2bkd s ILE 106 Cb -0.10 -3.67 -0.05 0.00 1.25 0.00 0.00 42.46 39.88 2bkd s ILE 106 CO -0.00 0.11 0.09 0.68 0.24 0.00 0.00 174.94 176.06 2bkd s VAL 107 N 1.91 0.85 0.36 8.37 -7.23 -0.65 -4.93 120.40 119.07 2bkd s VAL 107 Ca 0.10 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.36 2bkd s VAL 107 Cb -0.16 -2.66 -0.05 0.00 0.56 0.00 0.00 36.38 34.07 2bkd s VAL 107 CO 0.11 0.00 0.10 -0.89 -0.31 0.00 0.00 175.10 174.10 2bkd s THR 108 N -3.44 2.66 0.51 5.32 2.01 -1.26 -0.21 115.64 121.21 2bkd s THR 108 Ca 0.35 -1.81 0.37 0.00 0.31 0.00 0.00 61.69 60.90 2bkd s THR 108 Cb 0.07 -2.91 0.58 0.00 0.01 0.00 0.00 72.50 70.25 2bkd s THR 108 CO 0.15 -0.14 1.69 -0.29 -0.69 0.00 0.00 174.62 175.34 2bkd h ILE 109 N 1.63 0.23 -1.06 1.82 6.09 -1.97 -1.14 117.51 123.11 2bkd h ILE 109 Ca -0.43 -0.02 0.28 0.00 -1.37 0.00 0.00 64.86 63.32 2bkd h ILE 109 Cb 1.25 0.16 -0.07 0.00 0.47 0.00 0.00 36.82 38.63 2bkd h ILE 109 CO 0.67 0.01 0.71 -0.33 -3.07 0.00 0.00 178.15 176.14 2bkd h GLU 110 N 0.07 0.23 -0.00 2.19 5.08 -2.01 -1.83 114.58 118.30 2bkd h GLU 110 Ca 0.74 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 59.09 2bkd h GLU 110 Cb 2.71 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.91 2bkd h GLU 110 CO -0.14 0.15 -0.30 0.54 -1.00 0.00 0.00 179.01 178.26 2bkd n ARG 111 N -4.45 0.19 -3.97 2.33 3.00 -0.43 -4.91 116.66 108.42 2bkd n ARG 111 Ca 0.24 -0.09 -0.36 0.00 -0.01 0.00 0.00 57.85 57.63 2bkd n ARG 111 Cb 0.98 -1.50 -0.06 0.00 0.00 0.00 0.00 32.46 31.88 2bkd n ARG 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2bkd s LEU 112 N -2.87 4.24 0.05 0.55 1.43 -0.69 -2.20 118.68 119.19 2bkd s LEU 112 Ca 0.16 0.39 0.09 0.00 -1.03 0.00 0.00 54.13 53.74 2bkd s LEU 112 Cb 0.18 -2.10 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 2bkd s LEU 112 CO 0.61 0.38 -0.25 -0.13 0.23 0.00 0.00 176.35 177.18 2bkd s ARG 113 N -1.14 1.70 0.12 1.70 3.00 0.30 -4.95 118.95 119.67 2bkd s ARG 113 Ca 0.16 -1.10 -0.18 0.00 0.00 0.00 0.00 55.73 54.61 2bkd s ARG 113 Cb -0.12 -1.89 -0.07 0.00 0.00 0.00 0.00 34.95 32.87 2bkd s ARG 113 CO 0.06 0.48 0.60 0.45 0.00 0.00 0.00 175.30 176.89 2bkd s SER 114 N -1.29 7.01 -0.48 0.23 0.15 -1.26 -1.54 113.70 116.51 2bkd s SER 114 Ca 0.11 1.25 -0.22 0.00 0.70 0.00 0.00 55.95 57.79 2bkd s SER 114 Cb -0.10 -2.35 0.03 0.00 -1.71 0.00 0.00 66.02 61.89 2bkd s SER 114 CO 0.02 0.19 0.77 0.54 1.20 0.00 0.00 173.24 175.97 2bkd s VAL 115 N -1.27 4.65 -0.18 4.45 0.11 -1.26 -4.85 120.40 122.04 2bkd s VAL 115 Ca 0.34 0.22 -0.05 0.00 -2.93 0.00 0.00 61.98 59.56 2bkd s VAL 115 Cb -0.18 -4.35 -0.03 0.00 -1.53 0.00 0.00 36.38 30.30 2bkd s VAL 115 CO 0.20 -0.80 -0.01 0.21 -3.33 0.00 0.00 175.10 171.37 2bkd s ASN 116 N 2.34 4.91 -0.12 3.54 3.84 -1.26 -5.01 114.94 123.18 2bkd s ASN 116 Ca 0.27 -0.14 -0.03 0.00 0.21 0.00 0.00 52.86 53.16 2bkd s ASN 116 Cb -0.13 -1.83 -0.08 0.00 -0.55 0.00 0.00 41.25 38.66 2bkd s ASN 116 CO 0.20 0.12 2.86 -0.81 -2.79 0.00 0.00 177.10 176.68 2bkd n PRO 117 N 3.90 1.80 -2.02 0.43 -0.04 -1.26 -4.95 135.00 132.86 2bkd n PRO 117 Ca -0.17 -1.07 -0.38 0.00 -0.04 0.00 0.00 63.50 61.84 2bkd n PRO 117 Cb 0.52 -1.73 0.02 0.00 -0.04 0.00 0.00 33.50 32.27 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 1.47 5.73 0.51 3.54 4.22 -1.26 -5.01 114.94 124.13 2bkd s ASN 118 Ca 0.44 2.54 -0.19 0.00 -2.14 0.00 0.00 52.86 53.51 2bkd s ASN 118 Cb 0.24 -2.62 -0.08 0.00 1.28 0.00 0.00 41.25 40.08 2bkd s ASN 118 CO -0.04 -1.23 1.02 -0.54 -2.04 0.00 0.00 177.10 174.26 2bkd s LYS 119 N -2.79 3.80 -0.02 3.55 1.02 -1.26 -5.01 119.74 119.03 2bkd s LYS 119 Ca 0.67 1.20 -0.10 0.00 0.02 0.00 0.00 55.97 57.76 2bkd s LYS 119 Cb -0.35 -2.10 -0.06 0.00 -0.52 0.00 0.00 37.83 34.80 2bkd s LYS 119 CO 0.41 -0.41 0.57 -1.00 -0.92 0.00 0.00 175.35 174.00 2bkd h PRO 120 N 1.24 -0.36 0.00 -1.68 0.13 -1.94 -3.42 132.00 125.98 2bkd h PRO 120 Ca -0.48 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2bkd h PRO 120 Cb 1.21 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2bkd h PRO 120 CO 0.59 -0.24 0.00 0.00 -0.23 0.00 0.00 178.00 178.13 2bkd n ALA 121 N -2.48 0.00 -0.81 -0.56 0.00 -1.26 -0.62 120.51 114.78 2bkd n ALA 121 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2bkd n ALA 121 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.60 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 0.00 0.00 -0.21 0.00 -2.24 -1.26 -3.35 114.28 107.22 2bkd n THR 122 Ca 0.00 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 2bkd n THR 122 Cb 0.00 0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.25 2bkd n THR 122 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2bkd h LYS 123 N 0.00 -0.13 -0.50 -0.78 3.64 -1.98 0.64 116.57 117.47 2bkd h LYS 123 Ca 0.00 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 2bkd h LYS 123 Cb 0.00 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 2bkd h LYS 123 CO 0.00 -0.08 0.19 -0.44 -2.27 0.00 0.00 179.45 176.85 2bkd h ASP 124 N -0.13 0.65 0.98 4.20 5.19 -1.94 -3.11 116.42 122.27 2bkd h ASP 124 Ca 0.25 -0.08 -0.19 0.00 -0.62 0.00 0.00 57.03 56.40 2bkd h ASP 124 Cb 0.54 -0.17 -0.03 0.00 0.18 0.00 0.00 39.33 39.86 2bkd h ASP 124 CO -0.69 0.60 -1.08 0.00 -3.12 0.00 0.00 179.24 174.95 2bkd h THR 125 N 0.71 1.05 -1.35 0.35 1.03 -1.55 -3.46 112.91 109.69 2bkd h THR 125 Ca 0.17 -2.64 -0.65 0.00 -0.01 0.00 0.00 66.41 63.28 2bkd h THR 125 Cb 0.16 2.47 -0.25 0.00 -1.07 0.00 0.00 68.15 69.46 2bkd h THR 125 CO -0.02 0.60 0.84 0.49 -0.01 0.00 0.00 175.52 177.42 2bkd n PHE 126 N -3.16 2.72 -2.82 0.00 3.72 0.14 -5.02 117.46 113.04 2bkd n PHE 126 Ca -0.05 -2.48 -0.11 0.00 -0.05 0.00 0.00 57.45 54.77 2bkd n PHE 126 Cb 0.88 -1.29 0.07 0.00 -0.94 0.00 0.00 39.48 38.20 2bkd n PHE 126 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 2bkd n LYS 128 N -0.37 1.04 -2.83 -1.08 5.02 -1.26 -5.06 118.16 113.62 2bkd n LYS 128 Ca 0.54 -2.26 -0.40 0.00 -2.02 0.00 0.00 58.31 54.16 2bkd n LYS 128 Cb 0.46 -1.05 -0.05 0.00 -0.02 0.00 0.00 35.03 34.37 2bkd n LYS 128 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2bkd s ILE 129 N -0.43 4.34 -0.15 -0.18 1.01 -1.26 -5.03 121.20 119.49 2bkd s ILE 129 Ca 0.26 1.94 -0.24 0.00 0.00 0.00 0.00 60.65 62.61 2bkd s ILE 129 Cb 0.32 -4.26 -0.02 0.00 0.01 0.00 0.00 42.46 38.51 2bkd s ILE 129 CO -0.06 0.44 0.74 -0.54 0.00 0.00 0.00 174.94 175.52 2bkd s LYS 130 N -0.70 4.30 0.06 2.79 3.01 -1.26 -4.78 119.74 123.17 2bkd s LYS 130 Ca 0.41 0.87 0.00 0.00 -1.01 0.00 0.00 55.97 56.24 2bkd s LYS 130 Cb -0.24 -3.55 0.00 0.00 -1.01 0.00 0.00 37.83 33.03 2bkd s LYS 130 CO 0.29 -0.21 0.00 -0.11 0.51 0.00 0.00 175.35 175.83 2bkd n LEU 131 N 4.85 -3.39 0.00 3.17 0.00 -1.26 -5.09 117.00 115.28 2bkd n LEU 131 Ca 0.01 1.08 0.00 0.00 0.00 0.00 0.00 56.01 57.11 2bkd n LEU 131 Cb 0.50 -1.73 0.00 0.00 0.00 0.00 0.00 43.42 42.19 2bkd n LEU 131 CO 0.47 -0.63 0.00 0.47 0.00 0.00 0.00 177.39 177.69 2bkd n ASP 132 N 0.64 0.00 -4.27 1.96 8.00 -1.26 -5.06 116.55 116.56 2bkd n ASP 132 Ca 0.00 0.00 -0.16 0.00 0.71 0.00 0.00 54.79 55.34 2bkd n ASP 132 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.00 2bkd n ASP 132 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2bkd s VAL 133 N 0.24 1.36 -2.00 2.53 -7.23 -1.26 -5.23 120.40 108.81 2bkd s VAL 133 Ca 0.00 -1.99 0.13 0.00 -1.81 0.00 0.00 61.98 58.31 2bkd s VAL 133 Cb 0.00 -1.79 0.37 0.00 0.56 0.00 0.00 36.38 35.52 2bkd s VAL 133 CO 0.00 -0.60 1.20 -2.65 -0.31 0.00 0.00 175.10 172.74