#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bkd n GLU 2 N 0.00 0.00 0.00 2.12 4.07 -1.26 -5.07 120.64 120.50 2bkd n GLU 2 Ca 0.00 -1.24 0.00 0.00 -0.06 0.00 0.00 57.16 55.86 2bkd n GLU 2 Cb 0.00 0.11 0.00 0.00 -0.06 0.00 0.00 31.44 31.49 2bkd n GLU 2 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 2bkd n GLU 3 N 0.19 0.00 -3.57 5.31 4.71 -1.26 -5.07 120.64 120.95 2bkd n GLU 3 Ca -0.08 0.00 -0.37 0.00 -0.01 0.00 0.00 57.16 56.70 2bkd n GLU 3 Cb 0.84 0.00 -0.06 0.00 -1.01 0.00 0.00 31.44 31.21 2bkd n GLU 3 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2bkd s LEU 4 N 0.00 4.39 -0.26 -4.62 2.01 -1.26 -4.99 118.68 113.95 2bkd s LEU 4 Ca 0.00 0.76 -0.17 0.00 0.01 0.00 0.00 54.13 54.73 2bkd s LEU 4 Cb 0.00 -2.45 -0.03 0.00 0.01 0.00 0.00 46.19 43.72 2bkd s LEU 4 CO 0.00 0.27 0.48 0.68 1.01 0.00 0.00 176.35 178.79 2bkd s VAL 5 N -0.59 5.10 0.44 -1.59 -7.23 -1.26 -0.85 120.40 114.42 2bkd s VAL 5 Ca 0.21 0.81 0.06 0.00 -1.81 0.00 0.00 61.98 61.25 2bkd s VAL 5 Cb -0.15 -3.80 -0.04 0.00 0.56 0.00 0.00 36.38 32.95 2bkd s VAL 5 CO 0.09 0.11 0.17 0.54 -0.31 0.00 0.00 175.10 175.70 2bkd s VAL 6 N 2.22 2.05 -0.02 1.32 0.11 -0.61 -4.64 120.40 120.82 2bkd s VAL 6 Ca 0.20 -1.73 0.08 0.00 -2.93 0.00 0.00 61.98 57.59 2bkd s VAL 6 Cb -0.16 -2.78 -0.02 0.00 -1.53 0.00 0.00 36.38 31.89 2bkd s VAL 6 CO 0.09 0.00 -0.25 -1.61 -3.33 0.00 0.00 175.10 170.00 2bkd s GLU 7 N -3.93 2.17 0.19 1.54 2.02 -0.76 -1.48 118.70 118.45 2bkd s GLU 7 Ca 0.35 -0.91 0.10 0.00 0.02 0.00 0.00 54.97 54.53 2bkd s GLU 7 Cb 0.03 -2.07 -0.04 0.00 0.10 0.00 0.00 34.13 32.15 2bkd s GLU 7 CO 0.19 0.55 -0.20 0.14 0.02 0.00 0.00 175.26 175.96 2bkd s VAL 8 N -0.58 2.07 0.34 2.63 -7.23 -0.27 -0.40 120.40 116.96 2bkd s VAL 8 Ca 0.09 -2.03 -0.01 0.00 -1.81 0.00 0.00 61.98 58.23 2bkd s VAL 8 Cb -0.10 -2.00 -0.04 0.00 0.56 0.00 0.00 36.38 34.80 2bkd s VAL 8 CO -0.01 -0.27 0.56 0.00 -0.31 0.00 0.00 175.10 175.07 2bkd s ARG 9 N -2.88 3.51 0.00 4.82 1.04 -0.66 -0.88 118.95 123.91 2bkd s ARG 9 Ca 0.19 -0.26 0.00 0.00 -1.04 0.00 0.00 55.73 54.63 2bkd s ARG 9 Cb -0.06 -2.65 0.00 0.00 -2.04 0.00 0.00 34.95 30.20 2bkd s ARG 9 CO 0.09 0.14 0.00 0.41 -0.04 0.00 0.00 175.30 175.90 2bkd n GLY 10 N -1.66 1.71 2.36 3.88 0.00 -1.26 -4.93 105.19 105.28 2bkd n GLY 10 Ca -0.04 -0.49 -0.39 0.00 0.00 0.00 0.00 46.02 45.10 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 8.44 -3.87 1.61 2.88 -1.26 -4.79 113.62 116.64 2bkd n SER 11 Ca 0.00 -2.66 -0.09 0.00 -1.33 0.00 0.00 58.87 54.78 2bkd n SER 11 Cb 0.00 -1.54 -0.06 0.00 -0.75 0.00 0.00 64.21 61.86 2bkd n SER 11 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2bkd s ASN 12 N 1.97 0.01 0.27 -3.46 3.84 -1.26 -5.05 114.94 111.26 2bkd s ASN 12 Ca 0.67 -0.69 0.23 0.00 0.21 0.00 0.00 52.86 53.28 2bkd s ASN 12 Cb 0.18 0.42 0.25 0.00 -0.55 0.00 0.00 41.25 41.55 2bkd s ASN 12 CO -0.07 -0.84 1.35 1.23 -2.79 0.00 0.00 177.10 175.98 2bkd h GLY 13 N 2.57 0.00 0.00 1.21 0.00 -2.03 -3.46 103.07 101.35 2bkd h GLY 13 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.00 2bkd h GLY 13 CO 0.50 0.00 0.00 0.00 0.00 0.00 0.00 176.54 177.04 2bkd n ALA 14 N -2.05 0.00 -2.74 3.60 0.00 -1.26 -5.11 120.51 112.95 2bkd n ALA 14 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.18 2bkd n ALA 14 Cb 0.51 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.93 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 0.56 3.48 -0.28 0.00 0.40 -1.26 -4.78 117.98 116.10 2bkd s PHE 15 Ca 0.00 0.41 -0.19 0.00 -0.60 0.00 0.00 56.93 56.55 2bkd s PHE 15 Cb 0.00 -1.90 -0.02 0.00 0.51 0.00 0.00 43.02 41.61 2bkd s PHE 15 CO 0.00 0.39 0.57 0.71 0.70 0.00 0.00 175.22 177.59 2bkd s TYR 16 N -1.81 3.24 -0.32 0.36 1.51 -0.06 -4.92 117.35 115.36 2bkd s TYR 16 Ca 0.39 0.61 -0.29 0.00 -1.01 0.00 0.00 57.07 56.77 2bkd s TYR 16 Cb -0.11 -2.85 0.01 0.00 -0.11 0.00 0.00 41.96 38.90 2bkd s TYR 16 CO 0.28 -0.38 1.22 0.15 -1.11 0.00 0.00 175.55 175.71 2bkd s LYS 17 N 2.45 3.96 -0.10 -0.62 1.02 -1.26 -1.11 119.74 124.08 2bkd s LYS 17 Ca 0.23 1.15 -0.04 0.00 0.02 0.00 0.00 55.97 57.33 2bkd s LYS 17 Cb -0.15 -3.83 0.05 0.00 -0.52 0.00 0.00 37.83 33.37 2bkd s LYS 17 CO 0.10 -1.06 0.20 0.00 -0.92 0.00 0.00 175.35 173.67 2bkd s ALA 18 N 4.13 -0.32 -0.12 5.17 0.00 -0.55 -4.48 121.76 125.60 2bkd s ALA 18 Ca 0.52 0.71 -0.01 0.00 0.00 0.00 0.00 51.96 53.19 2bkd s ALA 18 Cb -0.15 -0.83 -0.02 0.00 0.00 0.00 0.00 23.12 22.13 2bkd s ALA 18 CO 0.21 -0.52 -0.10 -0.06 0.00 0.00 0.00 175.76 175.29 2bkd s PHE 19 N 2.14 2.86 -0.09 0.00 0.08 0.41 -1.58 117.98 121.80 2bkd s PHE 19 Ca 0.00 -0.45 -0.30 0.00 0.12 0.00 0.00 56.93 56.31 2bkd s PHE 19 Cb -0.12 -1.84 -0.04 0.00 -0.57 0.00 0.00 43.02 40.46 2bkd s PHE 19 CO -0.07 -0.08 1.38 0.54 -0.10 0.00 0.00 175.22 176.90 2bkd s VAL 20 N 0.14 3.97 -0.19 -0.44 0.11 -0.03 -0.83 120.40 123.13 2bkd s VAL 20 Ca -0.05 1.24 -0.07 0.00 -2.93 0.00 0.00 61.98 60.17 2bkd s VAL 20 Cb -0.15 -3.80 -0.21 0.00 -1.53 0.00 0.00 36.38 30.70 2bkd s VAL 20 CO 0.04 -0.07 0.08 1.17 -3.33 0.00 0.00 175.10 172.98 2bkd n LYS 21 N 6.31 0.68 -3.60 1.54 4.81 0.30 -4.51 118.16 123.69 2bkd n LYS 21 Ca 0.14 0.27 -0.16 0.00 -0.87 0.00 0.00 58.31 57.70 2bkd n LYS 21 Cb 0.44 -1.63 -0.07 0.00 0.02 0.00 0.00 35.03 33.79 2bkd n LYS 21 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2bkd s ASP 22 N -6.91 -0.55 0.21 3.14 2.15 -0.77 -4.98 116.67 108.95 2bkd s ASP 22 Ca -0.29 0.67 0.10 0.00 0.43 0.00 0.00 52.55 53.46 2bkd s ASP 22 Cb 0.08 0.62 -0.05 0.00 -0.30 0.00 0.00 42.92 43.28 2bkd s ASP 22 CO 0.66 -0.50 -0.20 0.68 -0.17 0.00 0.00 175.17 175.64 2bkd s VAL 23 N -0.94 2.13 -0.23 1.11 -7.23 -1.26 -0.69 120.40 113.29 2bkd s VAL 23 Ca -0.10 -2.12 -0.07 0.00 -1.81 0.00 0.00 61.98 57.88 2bkd s VAL 23 Cb -0.02 -2.07 -0.17 0.00 0.56 0.00 0.00 36.38 34.68 2bkd s VAL 23 CO 0.07 -0.32 -0.11 1.21 -0.31 0.00 0.00 175.10 175.64 2bkd n GLU 25 N -0.05 0.64 -0.10 4.82 4.07 -1.26 -5.02 120.64 123.74 2bkd n GLU 25 Ca -0.10 0.25 -0.12 0.00 -0.06 0.00 0.00 57.16 57.13 2bkd n GLU 25 Cb 0.58 -1.57 -0.15 0.00 -0.06 0.00 0.00 31.44 30.24 2bkd n GLU 25 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 2bkd n ASP 26 N -3.73 0.57 -4.60 4.31 8.00 -1.26 -5.01 116.55 114.82 2bkd n ASP 26 Ca -0.44 -0.01 -0.24 0.00 0.71 0.00 0.00 54.79 54.81 2bkd n ASP 26 Cb 0.93 0.56 -0.08 0.00 -0.02 0.00 0.00 41.12 42.51 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 -5.80 4.19 -0.05 -2.24 1.04 -1.26 -3.51 113.70 106.06 2bkd s SER 27 Ca -0.16 -0.87 0.04 0.00 0.48 0.00 0.00 55.95 55.44 2bkd s SER 27 Cb 0.07 -0.60 0.00 0.00 0.10 0.00 0.00 66.02 65.59 2bkd s SER 27 CO 0.77 -0.09 -0.17 -0.51 0.98 0.00 0.00 173.24 174.22 2bkd s ILE 28 N -2.44 1.45 -0.12 -1.02 2.07 0.52 -4.64 121.20 117.02 2bkd s ILE 28 Ca 0.33 -0.71 -0.02 0.00 -1.41 0.00 0.00 60.65 58.84 2bkd s ILE 28 Cb -0.04 -1.26 -0.03 0.00 0.13 0.00 0.00 42.46 41.27 2bkd s ILE 28 CO 0.19 0.42 -0.05 -0.89 -1.91 0.00 0.00 174.94 172.70 2bkd s THR 29 N 0.19 3.83 0.04 4.00 2.01 0.14 -1.16 115.64 124.68 2bkd s THR 29 Ca -0.08 -0.41 -0.01 0.00 0.31 0.00 0.00 61.69 61.51 2bkd s THR 29 Cb -0.13 -2.63 -0.03 0.00 0.01 0.00 0.00 72.50 69.73 2bkd s THR 29 CO 0.03 0.55 -0.01 0.68 -0.69 0.00 0.00 174.62 175.18 2bkd s VAL 30 N -0.20 0.16 -0.04 3.82 -7.23 -0.54 -0.54 120.40 115.84 2bkd s VAL 30 Ca 0.03 -1.35 -0.03 0.00 -1.81 0.00 0.00 61.98 58.82 2bkd s VAL 30 Cb -0.13 -0.95 0.02 0.00 0.56 0.00 0.00 36.38 35.89 2bkd s VAL 30 CO 0.03 -0.75 0.10 0.00 -0.31 0.00 0.00 175.10 174.17 2bkd s ALA 31 N -2.79 -0.20 0.16 1.32 0.00 -0.01 -1.09 121.76 119.15 2bkd s ALA 31 Ca -0.04 0.38 -0.08 0.00 0.00 0.00 0.00 51.96 52.23 2bkd s ALA 31 Cb -0.00 -0.25 -0.06 0.00 0.00 0.00 0.00 23.12 22.81 2bkd s ALA 31 CO -0.06 -0.08 0.45 -0.06 0.00 0.00 0.00 175.76 176.01 2bkd s PHE 32 N 0.48 3.48 0.00 0.00 0.08 0.32 -0.45 117.98 121.90 2bkd s PHE 32 Ca -0.04 0.73 -0.02 0.00 0.12 0.00 0.00 56.93 57.73 2bkd s PHE 32 Cb -0.05 -2.14 -0.09 0.00 -0.57 0.00 0.00 43.02 40.17 2bkd s PHE 32 CO -0.02 0.39 2.28 -1.91 -0.10 0.00 0.00 175.22 175.87 2bkd n GLU 33 N 0.21 1.19 -1.22 0.44 2.13 -1.26 -4.68 120.64 117.45 2bkd n GLU 33 Ca -0.03 -0.34 0.17 0.00 0.66 0.00 0.00 57.16 57.62 2bkd n GLU 33 Cb 0.52 -1.41 -0.04 0.00 0.27 0.00 0.00 31.44 30.77 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 1.98 -8.08 0.00 4.31 4.13 -1.25 -4.91 115.26 111.44 2bkd n ASN 34 Ca 0.15 1.31 0.00 0.00 1.68 0.00 0.00 54.58 57.71 2bkd n ASN 34 Cb 0.57 -3.68 0.00 0.00 -1.54 0.00 0.00 39.78 35.12 2bkd n ASN 34 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 2bkd n ASN 35 N -4.12 0.00 0.00 6.41 5.15 -1.26 -4.60 115.26 116.84 2bkd n ASN 35 Ca 0.01 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.99 2bkd n ASN 35 Cb 0.55 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.80 2bkd n ASN 35 CO 0.00 0.00 0.00 -2.67 1.40 0.00 0.00 177.26 175.99 2bkd n TRP 36 N 0.00 0.00 -4.32 1.20 4.27 -1.26 -5.11 117.44 112.22 2bkd n TRP 36 Ca 0.00 0.00 -0.27 0.00 -3.89 0.00 0.00 57.50 53.34 2bkd n TRP 36 Cb 0.00 0.00 -0.10 0.00 -1.36 0.00 0.00 31.31 29.85 2bkd n TRP 36 CO 0.00 0.00 0.00 -0.65 -2.29 0.00 0.00 177.69 174.75 2bkd s GLN 37 N 0.20 1.93 0.00 -2.67 -1.52 -1.26 -5.13 119.66 111.21 2bkd s GLN 37 Ca 0.00 -1.31 0.00 0.00 -1.95 0.00 0.00 55.36 52.10 2bkd s GLN 37 Cb 0.00 -2.09 0.00 0.00 -0.22 0.00 0.00 33.01 30.70 2bkd s GLN 37 CO 0.00 0.43 0.00 -0.35 -0.25 0.00 0.00 175.29 175.12 2bkd n PRO 38 N 0.13 0.00 -4.26 2.91 -0.04 -1.26 -3.88 135.00 128.61 2bkd n PRO 38 Ca -0.11 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.09 2bkd n PRO 38 Cb 0.55 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.94 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 -1.00 4.57 0.09 3.54 -4.77 -1.26 -0.52 116.67 117.32 2bkd s ASP 39 Ca 0.00 -0.53 -0.06 0.00 -3.30 0.00 0.00 52.55 48.66 2bkd s ASP 39 Cb 0.00 -0.89 -0.01 0.00 -1.09 0.00 0.00 42.92 40.93 2bkd s ASP 39 CO 0.00 0.06 0.14 -0.60 0.70 0.00 0.00 175.17 175.46 2bkd s ARG 40 N -3.20 0.82 -0.13 2.11 6.06 -0.25 -4.98 118.95 119.38 2bkd s ARG 40 Ca 0.28 -1.06 0.03 0.00 -2.50 0.00 0.00 55.73 52.47 2bkd s ARG 40 Cb -0.08 0.31 0.01 0.00 0.06 0.00 0.00 34.95 35.25 2bkd s ARG 40 CO 0.18 -0.24 -0.21 -1.14 -2.50 0.00 0.00 175.30 171.40 2bkd s GLN 41 N -3.89 2.81 0.04 5.12 0.74 -1.26 -1.47 119.66 121.75 2bkd s GLN 41 Ca 0.07 -0.78 0.08 0.00 0.05 0.00 0.00 55.36 54.78 2bkd s GLN 41 Cb 0.06 -2.27 -0.03 0.00 1.10 0.00 0.00 33.01 31.87 2bkd s GLN 41 CO -0.09 0.01 -0.22 0.42 -0.55 0.00 0.00 175.29 174.85 2bkd s ILE 42 N 0.78 1.80 0.66 -2.34 -1.09 -0.31 -4.99 121.20 115.70 2bkd s ILE 42 Ca -0.09 -1.23 -0.07 0.00 -2.23 0.00 0.00 60.65 57.03 2bkd s ILE 42 Cb -0.16 -1.55 0.03 0.00 -1.58 0.00 0.00 42.46 39.21 2bkd s ILE 42 CO -0.00 0.27 0.98 -2.16 -1.23 0.00 0.00 174.94 172.81 2bkd s PRO 43 N -1.14 2.57 0.00 2.79 0.04 -1.26 -0.36 135.00 137.64 2bkd s PRO 43 Ca 0.09 -0.05 -0.01 0.00 0.04 0.00 0.00 61.00 61.06 2bkd s PRO 43 Cb -0.09 -2.19 -0.06 0.00 0.04 0.00 0.00 34.50 32.20 2bkd s PRO 43 CO 0.02 -1.00 1.24 1.19 0.04 0.00 0.00 177.00 178.48 2bkd n PHE 44 N -2.81 0.00 0.00 0.56 3.72 -1.23 -2.52 117.46 115.19 2bkd n PHE 44 Ca 0.06 -0.40 0.00 0.00 -0.05 0.00 0.00 57.45 57.06 2bkd n PHE 44 Cb 0.59 -0.66 0.00 0.00 -0.94 0.00 0.00 39.48 38.47 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 2.66 0.00 -4.88 4.37 8.00 -1.26 -4.49 116.55 120.96 2bkd n ASP 46 Ca 0.10 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.26 2bkd n ASP 46 Cb 0.24 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.29 2bkd n ASP 46 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2bkd s VAL 47 N 0.00 5.20 -0.08 2.53 0.11 -1.05 -1.65 120.40 125.46 2bkd s VAL 47 Ca 0.00 0.27 0.01 0.00 -2.93 0.00 0.00 61.98 59.33 2bkd s VAL 47 Cb 0.00 -3.61 0.02 0.00 -1.53 0.00 0.00 36.38 31.26 2bkd s VAL 47 CO 0.00 0.30 -0.07 -0.60 -3.33 0.00 0.00 175.10 171.39 2bkd s ARG 48 N -1.92 1.31 -0.25 1.54 3.52 0.46 -3.89 118.95 119.73 2bkd s ARG 48 Ca 0.31 -0.23 -0.29 0.00 -0.13 0.00 0.00 55.73 55.40 2bkd s ARG 48 Cb -0.13 -1.29 0.01 0.00 -1.56 0.00 0.00 34.95 31.97 2bkd s ARG 48 CO 0.18 -0.14 1.10 -0.06 -0.81 0.00 0.00 175.30 175.56 2bkd s PHE 49 N 1.24 3.18 0.20 5.12 0.08 0.26 -1.83 117.98 126.25 2bkd s PHE 49 Ca -0.05 1.30 0.06 0.00 0.12 0.00 0.00 56.93 58.36 2bkd s PHE 49 Cb -0.14 -3.46 0.12 0.00 -0.57 0.00 0.00 43.02 38.97 2bkd s PHE 49 CO -0.02 -0.80 1.46 -1.00 -0.10 0.00 0.00 175.22 174.76 2bkd h PRO 50 N 7.84 0.13 -7.19 0.24 0.13 -1.89 -3.46 132.00 127.79 2bkd h PRO 50 Ca -0.21 -0.12 -0.49 0.00 -0.87 0.00 0.00 66.00 64.31 2bkd h PRO 50 Cb 1.07 0.03 0.04 0.00 0.13 0.00 0.00 31.00 32.26 2bkd h PRO 50 CO 1.00 0.83 0.33 -1.25 -0.23 0.00 0.00 178.00 178.68 2bkd s PRO 51 N -3.36 3.72 1.12 1.56 0.04 -1.26 -5.07 135.00 131.74 2bkd s PRO 51 Ca -0.02 0.70 -0.18 0.00 0.04 0.00 0.00 61.00 61.53 2bkd s PRO 51 Cb 0.11 -2.18 0.26 0.00 0.04 0.00 0.00 34.50 32.74 2bkd s PRO 51 CO 0.80 -0.37 1.19 -1.25 0.04 0.00 0.00 177.00 177.42 2bkd s PRO 52 N -4.63 -0.62 -0.20 0.56 0.04 -1.26 -4.96 135.00 123.93 2bkd s PRO 52 Ca 0.55 -0.22 -0.22 0.00 0.04 0.00 0.00 61.00 61.14 2bkd s PRO 52 Cb -0.10 -1.68 -0.20 0.00 0.04 0.00 0.00 34.50 32.56 2bkd s PRO 52 CO 0.43 -3.29 0.29 0.28 0.04 0.00 0.00 177.00 174.76 2bkd h VAL 53 N -2.27 1.03 -1.68 -0.36 2.07 -1.99 -3.49 116.25 109.56 2bkd h VAL 53 Ca -0.44 -2.18 0.04 0.00 0.82 0.00 0.00 66.70 64.94 2bkd h VAL 53 Cb 1.27 2.36 -0.25 0.00 -1.52 0.00 0.00 31.29 33.15 2bkd h VAL 53 CO 0.34 0.35 0.40 -0.83 0.02 0.00 0.00 177.57 177.85 2bkd s GLY 54 N -4.74 -0.25 0.26 2.17 0.00 -1.26 -5.16 107.32 98.34 2bkd s GLY 54 Ca -0.27 2.44 -0.30 0.00 0.00 0.00 0.00 44.72 46.59 2bkd s GLY 54 CO 0.60 1.69 1.00 -0.19 0.00 0.00 0.00 173.10 176.20 2bkd s TYR 55 N 0.04 3.82 -0.10 1.90 1.51 -1.26 -4.99 117.35 118.27 2bkd s TYR 55 Ca 0.02 1.83 -0.08 0.00 -1.01 0.00 0.00 57.07 57.82 2bkd s TYR 55 Cb -0.04 -3.10 -0.03 0.00 -0.11 0.00 0.00 41.96 38.68 2bkd s TYR 55 CO -0.03 0.06 -0.16 -1.71 -1.11 0.00 0.00 175.55 172.59 2bkd n ASN 56 N 1.35 1.25 -4.26 2.29 2.85 -1.26 -4.98 115.26 112.49 2bkd n ASN 56 Ca -0.02 0.40 -0.30 0.00 -0.11 0.00 0.00 54.58 54.55 2bkd n ASN 56 Cb 0.46 -0.72 -0.16 0.00 1.24 0.00 0.00 39.78 40.61 2bkd n ASN 56 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 2bkd s LYS 57 N -2.01 2.19 0.67 1.20 2.20 -1.26 -5.14 119.74 117.59 2bkd s LYS 57 Ca -0.14 -0.86 -0.03 0.00 -0.36 0.00 0.00 55.97 54.59 2bkd s LYS 57 Cb 0.02 -1.97 0.08 0.00 -1.51 0.00 0.00 37.83 34.44 2bkd s LYS 57 CO 0.20 0.43 0.94 0.34 -0.36 0.00 0.00 175.35 176.90 2bkd s ASP 58 N -0.34 4.76 0.34 1.43 2.15 -1.26 -5.00 116.67 118.76 2bkd s ASP 58 Ca 0.03 0.04 -0.28 0.00 0.43 0.00 0.00 52.55 52.77 2bkd s ASP 58 Cb -0.11 -0.67 -0.12 0.00 -0.30 0.00 0.00 42.92 41.71 2bkd s ASP 58 CO 0.01 -1.56 1.35 0.00 -0.17 0.00 0.00 175.17 174.80 2bkd n ILE 59 N -2.73 1.87 -4.43 4.11 0.13 -1.26 -5.03 119.36 112.02 2bkd n ILE 59 Ca 0.10 -0.47 -0.24 0.00 -1.10 0.00 0.00 62.75 61.05 2bkd n ILE 59 Cb 0.60 -1.65 -0.07 0.00 -0.84 0.00 0.00 39.64 37.68 2bkd n ILE 59 CO 0.00 0.00 0.00 -0.46 2.80 0.00 0.00 176.55 178.89 2bkd n ASN 60 N 0.89 0.57 -4.78 9.51 2.04 -1.26 -5.15 115.26 117.07 2bkd n ASN 60 Ca 0.05 -3.20 -0.31 0.00 -0.44 0.00 0.00 54.58 50.67 2bkd n ASN 60 Cb 0.36 1.26 0.08 0.00 -2.53 0.00 0.00 39.78 38.95 2bkd n ASN 60 CO 0.00 0.00 0.00 -1.61 -0.44 0.00 0.00 177.26 175.21 2bkd s GLU 61 N -3.51 2.46 -1.21 -3.83 2.02 -1.26 -4.33 118.70 109.05 2bkd s GLU 61 Ca 0.27 1.09 -0.08 0.00 0.02 0.00 0.00 54.97 56.27 2bkd s GLU 61 Cb 0.01 -1.93 0.01 0.00 0.10 0.00 0.00 34.13 32.33 2bkd s GLU 61 CO 0.19 -1.48 1.04 0.45 0.02 0.00 0.00 175.26 175.48 2bkd n SER 62 N -3.40 -5.89 -3.76 -0.19 2.88 -1.26 -5.01 113.62 96.99 2bkd n SER 62 Ca 0.08 -0.47 -0.12 0.00 -1.33 0.00 0.00 58.87 57.03 2bkd n SER 62 Cb 0.53 -4.51 -0.08 0.00 -0.75 0.00 0.00 64.21 59.41 2bkd n SER 62 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2bkd s ASP 63 N -3.27 -0.13 0.43 -3.46 2.15 -1.26 -5.10 116.67 106.03 2bkd s ASP 63 Ca 0.51 -0.13 -0.08 0.00 0.43 0.00 0.00 52.55 53.29 2bkd s ASP 63 Cb -0.23 0.34 -0.05 0.00 -0.30 0.00 0.00 42.92 42.68 2bkd s ASP 63 CO 0.64 -0.56 0.77 -1.83 -0.17 0.00 0.00 175.17 174.01 2bkd s GLU 64 N -2.21 3.68 0.29 4.34 -1.05 -1.26 -4.10 118.70 118.39 2bkd s GLU 64 Ca -0.07 0.36 0.03 0.00 -0.15 0.00 0.00 54.97 55.14 2bkd s GLU 64 Cb -0.02 -2.39 -0.06 0.00 -0.44 0.00 0.00 34.13 31.22 2bkd s GLU 64 CO -0.01 -0.10 0.05 0.14 0.95 0.00 0.00 175.26 176.29 2bkd s VAL 65 N -2.51 1.02 -0.07 1.83 -7.23 0.04 -4.65 120.40 108.83 2bkd s VAL 65 Ca 0.50 -2.01 0.01 0.00 -1.81 0.00 0.00 61.98 58.66 2bkd s VAL 65 Cb -0.10 -2.65 -0.03 0.00 0.56 0.00 0.00 36.38 34.16 2bkd s VAL 65 CO 0.37 -0.08 -0.06 -1.61 -0.31 0.00 0.00 175.10 173.40 2bkd s GLU 66 N -3.91 2.78 -0.12 4.82 2.02 0.43 -1.18 118.70 123.53 2bkd s GLU 66 Ca 0.35 -0.54 0.01 0.00 0.02 0.00 0.00 54.97 54.81 2bkd s GLU 66 Cb 0.08 -2.61 0.02 0.00 0.10 0.00 0.00 34.13 31.71 2bkd s GLU 66 CO 0.13 0.66 -0.16 0.14 0.02 0.00 0.00 175.26 176.05 2bkd s VAL 67 N -0.79 1.58 -0.06 2.63 -7.23 0.54 -0.58 120.40 116.50 2bkd s VAL 67 Ca 0.12 -0.68 0.02 0.00 -1.81 0.00 0.00 61.98 59.63 2bkd s VAL 67 Cb -0.11 -1.45 0.02 0.00 0.56 0.00 0.00 36.38 35.40 2bkd s VAL 67 CO 0.01 0.46 -0.09 -0.31 -0.31 0.00 0.00 175.10 174.86 2bkd s TYR 68 N 1.09 1.22 0.17 2.82 2.02 -0.59 -1.92 117.35 122.16 2bkd s TYR 68 Ca -0.04 -0.43 0.06 0.00 -0.37 0.00 0.00 57.07 56.29 2bkd s TYR 68 Cb -0.14 -0.94 -0.04 0.00 -0.40 0.00 0.00 41.96 40.43 2bkd s TYR 68 CO -0.04 -0.26 -0.12 -1.12 -1.57 0.00 0.00 175.55 172.44 2bkd s SER 69 N 0.79 2.17 -0.10 2.29 0.01 -1.26 -4.64 113.70 112.97 2bkd s SER 69 Ca -0.13 -1.00 -0.29 0.00 1.31 0.00 0.00 55.95 55.84 2bkd s SER 69 Cb -0.15 -0.07 -0.05 0.00 0.21 0.00 0.00 66.02 65.95 2bkd s SER 69 CO 0.02 -0.24 1.72 0.00 0.41 0.00 0.00 173.24 175.15 2bkd s ARG 70 N -3.60 3.99 0.00 12.44 1.70 -1.26 -4.60 118.95 127.62 2bkd s ARG 70 Ca 0.19 2.07 0.00 0.00 -0.47 0.00 0.00 55.73 57.52 2bkd s ARG 70 Cb 0.00 -4.05 0.00 0.00 -0.57 0.00 0.00 34.95 30.34 2bkd s ARG 70 CO 0.04 -1.08 0.00 0.00 -1.08 0.00 0.00 175.30 173.18 2bkd n ALA 71 N 7.89 0.00 -2.94 7.88 0.00 -1.26 -0.04 120.51 132.04 2bkd n ALA 71 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.41 2bkd n ALA 71 Cb 0.43 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.86 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 1.46 3.00 0.00 0.00 5.03 -1.26 -5.03 115.26 118.45 2bkd n ASN 72 Ca 0.00 -3.37 0.00 0.00 0.87 0.00 0.00 54.58 52.08 2bkd n ASN 72 Cb 0.00 -0.56 0.00 0.00 -1.02 0.00 0.00 39.78 38.20 2bkd n ASN 72 CO 0.00 0.00 0.00 -1.84 -1.83 0.00 0.00 177.26 173.59 2bkd n GLU 73 N -0.08 0.00 -0.88 3.52 0.28 0.94 -3.07 120.64 121.34 2bkd n GLU 73 Ca 0.28 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.28 2bkd n GLU 73 Cb 0.56 -3.62 0.00 0.00 1.43 0.00 0.00 31.44 29.81 2bkd n GLU 73 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2bkd n LYS 74 N -1.78 -0.44 -3.21 3.44 3.00 -1.26 -5.00 118.16 112.92 2bkd n LYS 74 Ca 0.00 0.11 -0.19 0.00 -0.00 0.00 0.00 58.31 58.23 2bkd n LYS 74 Cb 0.00 -3.64 -0.00 0.00 0.00 0.00 0.00 35.03 31.38 2bkd n LYS 74 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2bkd s GLU 75 N -0.67 2.70 0.00 1.64 0.41 -1.17 -5.12 118.70 116.49 2bkd s GLU 75 Ca 0.00 -1.37 0.00 0.00 -0.41 0.00 0.00 54.97 53.19 2bkd s GLU 75 Cb 0.00 -2.61 0.00 0.00 -1.78 0.00 0.00 34.13 29.74 2bkd s GLU 75 CO 0.00 -0.27 0.00 -0.35 -0.49 0.00 0.00 175.26 174.15 2bkd n PRO 76 N -1.76 0.00 -4.63 0.39 -0.04 -1.26 -5.01 135.00 122.69 2bkd n PRO 76 Ca 0.07 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.28 2bkd n PRO 76 Cb 0.60 -0.01 -0.16 0.00 -0.04 0.00 0.00 33.50 33.89 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 -0.27 0.00 0.00 0.00 -0.00 -1.26 -5.03 117.44 110.87 2bkd n TRP 79 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 2bkd n TRP 79 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 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 -4.70 5.87 8.01 -0.81 -4.81 117.44 121.00 2bkd n TRP 80 Ca 0.00 0.00 -0.28 0.00 -1.31 0.00 0.00 57.50 55.91 2bkd n TRP 80 Cb 0.00 0.00 -0.17 0.00 -2.01 0.00 0.00 31.31 29.13 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 1.80 0.04 -0.99 -0.00 -1.26 -0.34 118.68 117.93 2bkd s LEU 81 Ca 0.00 -0.42 -0.00 0.00 -0.00 0.00 0.00 54.13 53.71 2bkd s LEU 81 Cb 0.00 -1.09 -0.03 0.00 -0.00 0.00 0.00 46.19 45.06 2bkd s LEU 81 CO 0.00 0.06 -0.04 0.00 -0.00 0.00 0.00 176.35 176.37 2bkd s ALA 82 N 0.71 0.43 -0.18 1.48 0.00 -0.33 -3.87 121.76 120.00 2bkd s ALA 82 Ca -0.13 -0.98 -0.03 0.00 0.00 0.00 0.00 51.96 50.82 2bkd s ALA 82 Cb -0.16 0.20 -0.02 0.00 0.00 0.00 0.00 23.12 23.14 2bkd s ALA 82 CO 0.03 -0.26 -0.05 0.15 0.00 0.00 0.00 175.76 175.63 2bkd s LYS 83 N -2.91 3.50 -0.09 0.00 -0.14 0.08 -0.78 119.74 119.39 2bkd s LYS 83 Ca -0.02 -0.59 -0.10 0.00 -1.36 0.00 0.00 55.97 53.90 2bkd s LYS 83 Cb 0.00 -2.92 -0.05 0.00 -1.68 0.00 0.00 37.83 33.19 2bkd s LYS 83 CO -0.06 0.03 0.24 0.08 -0.76 0.00 0.00 175.35 174.89 2bkd s VAL 84 N 0.88 5.33 -0.15 3.17 1.01 -1.26 -0.51 120.40 128.87 2bkd s VAL 84 Ca -0.01 0.44 -0.01 0.00 0.00 0.00 0.00 61.98 62.40 2bkd s VAL 84 Cb -0.15 -3.52 -0.09 0.00 0.00 0.00 0.00 36.38 32.62 2bkd s VAL 84 CO 0.01 0.58 -0.15 -2.11 0.00 0.00 0.00 175.10 173.42 2bkd n ARG 85 N 2.15 0.37 -4.03 2.72 -4.01 -1.01 -4.61 116.66 108.25 2bkd n ARG 85 Ca -0.17 0.10 -0.08 0.00 -1.04 0.00 0.00 57.85 56.66 2bkd n ARG 85 Cb 0.54 -1.24 -0.10 0.00 -3.04 0.00 0.00 32.46 28.62 2bkd n ARG 85 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2bkd s MET 86 N -2.30 0.57 -0.20 2.89 0.23 -1.26 -4.76 119.30 114.47 2bkd s MET 86 Ca -0.21 -1.02 -0.01 0.00 -1.03 0.00 0.00 55.69 53.42 2bkd s MET 86 Cb 0.06 0.20 0.01 0.00 -1.53 0.00 0.00 34.83 33.57 2bkd s MET 86 CO 0.33 -0.12 -0.13 0.42 -2.03 0.00 0.00 175.02 173.50 2bkd s ILE 87 N -3.26 2.65 -0.77 3.16 1.09 -1.26 -1.75 121.20 121.07 2bkd s ILE 87 Ca 0.01 -0.74 -0.09 0.00 -1.10 0.00 0.00 60.65 58.73 2bkd s ILE 87 Cb 0.03 -2.16 0.20 0.00 -1.06 0.00 0.00 42.46 39.47 2bkd s ILE 87 CO -0.08 0.49 0.66 -0.75 -0.10 0.00 0.00 174.94 175.16 2bkd s LYS 88 N 1.35 3.20 0.55 2.79 2.20 0.12 -4.93 119.74 125.03 2bkd s LYS 88 Ca 0.05 -2.59 0.00 0.00 -0.36 0.00 0.00 55.97 53.07 2bkd s LYS 88 Cb -0.14 -4.13 0.00 0.00 -1.51 0.00 0.00 37.83 32.06 2bkd s LYS 88 CO -0.08 -1.24 0.00 0.41 -0.36 0.00 0.00 175.35 174.08 2bkd n GLY 89 N 3.60 0.54 0.00 5.54 0.00 -1.26 -1.56 105.19 112.05 2bkd n GLY 89 Ca 0.13 0.69 0.01 0.00 0.00 0.00 0.00 46.02 46.85 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 2.61 -4.61 1.61 1.02 -1.26 -5.01 120.64 115.00 2bkd n GLU 90 Ca 0.00 -0.01 -0.34 0.00 -0.02 0.00 0.00 57.16 56.79 2bkd n GLU 90 Cb 0.00 -0.88 -0.12 0.00 -0.02 0.00 0.00 31.44 30.42 2bkd n GLU 90 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2bkd s PHE 91 N -1.80 2.94 -0.07 -0.32 0.40 -0.60 -2.90 117.98 115.63 2bkd s PHE 91 Ca -0.00 -0.06 0.04 0.00 -0.60 0.00 0.00 56.93 56.31 2bkd s PHE 91 Cb 0.02 -1.75 -0.00 0.00 0.51 0.00 0.00 43.02 41.80 2bkd s PHE 91 CO 0.12 0.25 -0.20 0.71 0.70 0.00 0.00 175.22 176.79 2bkd s TYR 92 N -0.58 2.12 -0.31 0.36 1.51 0.20 0.16 117.35 120.80 2bkd s TYR 92 Ca 0.09 -0.74 -0.20 0.00 -1.01 0.00 0.00 57.07 55.21 2bkd s TYR 92 Cb -0.12 -1.43 -0.01 0.00 -0.11 0.00 0.00 41.96 40.30 2bkd s TYR 92 CO 0.02 -0.28 0.62 0.08 -1.11 0.00 0.00 175.55 174.88 2bkd s VAL 93 N 0.20 4.95 0.04 0.71 1.01 -0.71 -1.75 120.40 124.84 2bkd s VAL 93 Ca -0.11 0.82 0.05 0.00 0.00 0.00 0.00 61.98 62.74 2bkd s VAL 93 Cb -0.15 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 2bkd s VAL 93 CO 0.05 -0.14 -0.08 0.27 0.00 0.00 0.00 175.10 175.20 2bkd s ILE 94 N 2.59 3.53 0.05 2.22 -0.00 -0.53 -2.40 121.20 126.66 2bkd s ILE 94 Ca 0.25 -0.97 0.08 0.00 -0.00 0.00 0.00 60.65 60.01 2bkd s ILE 94 Cb -0.15 -2.58 -0.03 0.00 -0.00 0.00 0.00 42.46 39.70 2bkd s ILE 94 CO 0.12 0.28 -0.20 -1.61 -0.00 0.00 0.00 174.94 173.53 2bkd s GLU 95 N -1.72 1.98 0.15 0.37 2.02 0.33 -2.94 118.70 118.88 2bkd s GLU 95 Ca 0.19 -1.03 0.08 0.00 0.02 0.00 0.00 54.97 54.23 2bkd s GLU 95 Cb -0.11 -2.13 -0.04 0.00 0.10 0.00 0.00 34.13 31.95 2bkd s GLU 95 CO 0.10 0.53 -0.09 0.71 0.02 0.00 0.00 175.26 176.53 2bkd s TYR 96 N -0.91 2.69 0.33 1.61 2.02 -1.26 -0.74 117.35 121.08 2bkd s TYR 96 Ca 0.14 -0.19 -0.22 0.00 -0.37 0.00 0.00 57.07 56.43 2bkd s TYR 96 Cb -0.10 -1.36 -0.10 0.00 -0.40 0.00 0.00 41.96 40.00 2bkd s TYR 96 CO 0.05 0.47 0.87 0.00 -1.57 0.00 0.00 175.55 175.37 2bkd s ALA 97 N -1.48 3.22 -0.74 3.71 0.00 -1.25 -4.91 121.76 120.31 2bkd s ALA 97 Ca 0.23 0.35 -0.23 0.00 0.00 0.00 0.00 51.96 52.32 2bkd s ALA 97 Cb -0.10 -3.05 0.07 0.00 0.00 0.00 0.00 23.12 20.04 2bkd s ALA 97 CO 0.15 0.22 1.10 0.00 0.00 0.00 0.00 175.76 177.22 2bkd s ALA 98 N -1.79 3.03 -0.05 0.00 0.00 -1.26 -4.68 121.76 117.01 2bkd s ALA 98 Ca 0.52 -1.88 -0.09 0.00 0.00 0.00 0.00 51.96 50.52 2bkd s ALA 98 Cb -0.15 -4.03 -0.03 0.00 0.00 0.00 0.00 23.12 18.92 2bkd s ALA 98 CO 0.20 -2.99 -0.17 0.00 0.00 0.00 0.00 175.76 172.80 2bkd n ASP 100 N -3.76 0.00 -3.64 0.00 8.00 -1.26 -5.15 116.55 110.74 2bkd n ASP 100 Ca -0.07 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.28 2bkd n ASP 100 Cb 0.25 0.00 -0.08 0.00 -0.02 0.00 0.00 41.12 41.27 2bkd n ASP 100 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2bkd s ALA 101 N -2.96 -1.40 -0.21 2.24 0.00 -1.26 -5.13 121.76 113.03 2bkd s ALA 101 Ca 0.00 1.20 -0.30 0.00 0.00 0.00 0.00 51.96 52.85 2bkd s ALA 101 Cb 0.00 -0.34 0.16 0.00 0.00 0.00 0.00 23.12 22.93 2bkd s ALA 101 CO 0.00 -0.31 1.17 -0.08 0.00 0.00 0.00 175.76 176.55 2bkd s THR 102 N -0.65 0.00 0.11 0.00 -1.32 -1.26 -5.15 115.64 107.37 2bkd s THR 102 Ca -0.07 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.45 2bkd s THR 102 Cb -0.03 -1.00 -0.04 0.00 -1.51 0.00 0.00 72.50 69.93 2bkd s THR 102 CO 0.05 0.00 -0.11 -0.31 -2.21 0.00 0.00 174.62 172.04 2bkd s TYR 103 N -1.27 1.19 -0.99 9.09 2.02 -1.26 -4.76 117.35 121.37 2bkd s TYR 103 Ca 0.04 -0.63 -0.13 0.00 -0.37 0.00 0.00 57.07 55.98 2bkd s TYR 103 Cb -0.01 -0.63 0.00 0.00 -0.40 0.00 0.00 41.96 40.92 2bkd s TYR 103 CO -0.03 0.05 0.71 -1.71 -1.57 0.00 0.00 175.55 173.00 2bkd n ASN 104 N 0.49 -5.45 -4.61 2.29 5.15 -1.26 -4.95 115.26 106.92 2bkd n ASN 104 Ca -0.15 -0.89 -0.37 0.00 -0.60 0.00 0.00 54.58 52.57 2bkd n ASN 104 Cb 0.58 -2.97 -0.10 0.00 -0.53 0.00 0.00 39.78 36.75 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 -5.39 3.99 -0.22 1.20 2.56 -1.15 -4.97 118.70 114.72 2bkd s GLU 105 Ca 0.26 -0.30 -0.15 0.00 0.00 0.00 0.00 54.97 54.78 2bkd s GLU 105 Cb -0.11 -3.61 -0.04 0.00 2.00 0.00 0.00 34.13 32.37 2bkd s GLU 105 CO 0.87 -0.09 0.36 0.96 -0.56 0.00 0.00 175.26 176.80 2bkd s ILE 106 N 1.50 5.21 0.07 -3.70 -4.36 -1.26 -1.45 121.20 117.21 2bkd s ILE 106 Ca 0.07 0.61 0.01 0.00 -0.26 0.00 0.00 60.65 61.08 2bkd s ILE 106 Cb -0.15 -3.69 -0.04 0.00 1.25 0.00 0.00 42.46 39.83 2bkd s ILE 106 CO 0.09 0.24 -0.06 -0.69 0.24 0.00 0.00 174.94 174.76 2bkd s VAL 107 N 1.43 0.52 0.45 8.37 1.01 -0.71 -4.96 120.40 126.51 2bkd s VAL 107 Ca 0.17 -1.71 0.02 0.00 0.00 0.00 0.00 61.98 60.45 2bkd s VAL 107 Cb -0.15 -1.40 0.00 0.00 0.00 0.00 0.00 36.38 34.84 2bkd s VAL 107 CO 0.08 -0.81 0.65 0.42 0.00 0.00 0.00 175.10 175.44 2bkd s THR 108 N -3.22 3.81 0.56 3.92 -4.23 -1.26 -0.63 115.64 114.58 2bkd s THR 108 Ca 0.06 -0.60 0.35 0.00 -1.18 0.00 0.00 61.69 60.32 2bkd s THR 108 Cb 0.03 -3.39 0.52 0.00 1.34 0.00 0.00 72.50 71.00 2bkd s THR 108 CO -0.05 -0.26 1.76 -0.29 -0.54 0.00 0.00 174.62 175.24 2bkd h ILE 109 N 0.43 0.34 -0.90 2.99 6.09 -1.88 -2.82 117.51 121.75 2bkd h ILE 109 Ca -0.45 0.00 0.24 0.00 -1.37 0.00 0.00 64.86 63.28 2bkd h ILE 109 Cb 1.26 0.38 -0.16 0.00 0.47 0.00 0.00 36.82 38.77 2bkd h ILE 109 CO 0.56 0.00 0.12 -0.08 -3.07 0.00 0.00 178.15 175.67 2bkd h GLU 110 N 0.00 0.10 -0.44 2.19 4.81 -1.94 -1.79 114.58 117.50 2bkd h GLU 110 Ca 0.52 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.75 2bkd h GLU 110 Cb 2.24 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 31.60 2bkd h GLU 110 CO -0.01 0.06 0.00 0.54 -0.73 0.00 0.00 179.01 178.88 2bkd n ARG 111 N -5.36 2.48 -4.62 1.92 3.00 -1.06 -4.97 116.66 108.05 2bkd n ARG 111 Ca 0.21 -2.24 -0.33 0.00 -0.01 0.00 0.00 57.85 55.48 2bkd n ARG 111 Cb 0.70 -1.45 -0.15 0.00 0.00 0.00 0.00 32.46 31.56 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 -1.18 2.53 0.14 0.55 1.43 -0.68 -1.54 118.68 119.94 2bkd s LEU 112 Ca 0.36 -0.43 0.09 0.00 -1.03 0.00 0.00 54.13 53.11 2bkd s LEU 112 Cb 0.20 -1.57 -0.04 0.00 0.03 0.00 0.00 46.19 44.81 2bkd s LEU 112 CO 0.27 0.11 -0.19 -0.60 0.23 0.00 0.00 176.35 176.16 2bkd s ARG 113 N 0.68 1.23 0.00 1.70 3.52 0.26 -4.90 118.95 121.44 2bkd s ARG 113 Ca -0.07 -1.33 0.00 0.00 -0.13 0.00 0.00 55.73 54.20 2bkd s ARG 113 Cb -0.16 -1.38 0.00 0.00 -1.56 0.00 0.00 34.95 31.86 2bkd s ARG 113 CO 0.02 0.29 0.00 0.45 -0.81 0.00 0.00 175.30 175.25 2bkd n SER 114 N 0.56 0.00 -4.50 -2.12 2.88 -1.26 -0.43 113.62 108.76 2bkd n SER 114 Ca -0.15 -0.20 -0.42 0.00 -1.33 0.00 0.00 58.87 56.76 2bkd n SER 114 Cb 0.56 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.93 2bkd n SER 114 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2bkd s VAL 115 N 0.41 5.16 -0.34 2.46 0.11 -1.26 -4.41 120.40 122.51 2bkd s VAL 115 Ca 0.00 -0.29 0.01 0.00 -2.93 0.00 0.00 61.98 58.77 2bkd s VAL 115 Cb 0.00 -3.94 0.09 0.00 -1.53 0.00 0.00 36.38 31.00 2bkd s VAL 115 CO 0.00 -0.28 0.07 0.54 -3.33 0.00 0.00 175.10 172.09 2bkd s ASN 116 N 1.76 4.89 -1.33 3.54 4.22 -1.26 -5.01 114.94 121.74 2bkd s ASN 116 Ca 0.10 -1.88 -0.09 0.00 -2.14 0.00 0.00 52.86 48.85 2bkd s ASN 116 Cb -0.17 -1.69 -0.11 0.00 1.28 0.00 0.00 41.25 40.55 2bkd s ASN 116 CO 0.12 -0.38 3.00 -0.81 -2.04 0.00 0.00 177.10 176.99 2bkd n PRO 117 N 4.43 3.33 -1.82 3.55 -0.04 -1.26 -4.93 135.00 138.26 2bkd n PRO 117 Ca -0.03 -1.96 -0.33 0.00 -0.04 0.00 0.00 63.50 61.14 2bkd n PRO 117 Cb 0.42 -2.65 0.04 0.00 -0.04 0.00 0.00 33.50 31.27 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 2.23 5.18 0.50 3.54 4.22 -1.26 -5.01 114.94 124.34 2bkd s ASN 118 Ca 0.67 2.03 -0.21 0.00 -2.14 0.00 0.00 52.86 53.22 2bkd s ASN 118 Cb 0.19 -2.56 -0.07 0.00 1.28 0.00 0.00 41.25 40.10 2bkd s ASN 118 CO -0.05 -1.58 1.11 -0.54 -2.04 0.00 0.00 177.10 174.00 2bkd s LYS 119 N -3.98 3.59 -0.00 3.55 3.01 -1.26 -5.01 119.74 119.65 2bkd s LYS 119 Ca 0.68 1.58 -0.01 0.00 -1.01 0.00 0.00 55.97 57.21 2bkd s LYS 119 Cb -0.21 -2.14 -0.00 0.00 -1.01 0.00 0.00 37.83 34.46 2bkd s LYS 119 CO 0.39 -0.65 0.43 -1.00 0.51 0.00 0.00 175.35 175.04 2bkd h PRO 120 N 1.54 -0.02 -2.65 -1.68 0.13 -1.88 -3.39 132.00 124.04 2bkd h PRO 120 Ca -0.50 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.69 2bkd h PRO 120 Cb 1.25 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.25 2bkd h PRO 120 CO 0.58 -0.02 0.35 0.00 -0.23 0.00 0.00 178.00 178.69 2bkd s ALA 121 N -3.04 -1.68 -0.04 -0.56 0.00 -1.25 -0.57 121.76 114.61 2bkd s ALA 121 Ca -0.00 0.67 -0.30 0.00 0.00 0.00 0.00 51.96 52.32 2bkd s ALA 121 Cb 0.00 0.67 0.11 0.00 0.00 0.00 0.00 23.12 23.90 2bkd s ALA 121 CO 0.01 -0.76 1.32 -0.08 0.00 0.00 0.00 175.76 176.26 2bkd s THR 122 N -3.46 0.00 0.44 0.00 -1.32 -1.26 -5.01 115.64 105.02 2bkd s THR 122 Ca 0.04 -0.14 0.13 0.00 -1.21 0.00 0.00 61.69 60.51 2bkd s THR 122 Cb -0.01 -2.52 0.32 0.00 -1.51 0.00 0.00 72.50 68.78 2bkd s THR 122 CO -0.10 0.00 2.00 0.50 -2.21 0.00 0.00 174.62 174.81 2bkd h LYS 123 N 2.00 0.39 0.00 7.08 3.64 -2.00 -1.03 116.57 126.66 2bkd h LYS 123 Ca -0.26 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.08 2bkd h LYS 123 Cb 1.19 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.92 2bkd h LYS 123 CO 0.30 0.26 -0.04 0.22 -2.27 0.00 0.00 179.45 177.92 2bkd h ASP 124 N 0.41 0.00 1.26 4.20 3.58 -2.05 -2.00 116.42 121.81 2bkd h ASP 124 Ca 0.25 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.70 2bkd h ASP 124 Cb 0.44 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.49 2bkd h ASP 124 CO -0.06 0.04 0.00 0.00 -2.88 0.00 0.00 179.24 176.34 2bkd h THR 125 N 0.00 0.00 -0.22 2.25 1.03 -1.58 -3.44 112.91 110.96 2bkd h THR 125 Ca -0.00 -0.53 -0.17 0.00 -0.01 0.00 0.00 66.41 65.70 2bkd h THR 125 Cb 0.09 1.46 -0.07 0.00 -1.07 0.00 0.00 68.15 68.56 2bkd h THR 125 CO 0.01 0.00 0.07 0.49 -0.01 0.00 0.00 175.52 176.08 2bkd n PHE 126 N -2.66 0.55 0.00 0.00 3.01 -0.76 -5.04 117.46 112.56 2bkd n PHE 126 Ca 0.03 -1.43 0.00 0.00 1.01 0.00 0.00 57.45 57.06 2bkd n PHE 126 Cb 0.36 -0.90 0.00 0.00 -0.01 0.00 0.00 39.48 38.93 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 1.33 0.00 -4.11 -1.08 4.81 -1.26 -5.16 118.16 112.68 2bkd n LYS 128 Ca 0.20 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 57.28 2bkd n LYS 128 Cb 0.60 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.58 2bkd n LYS 128 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2bkd s ILE 129 N 0.00 4.93 -0.05 3.15 1.09 -1.26 -5.10 121.20 123.95 2bkd s ILE 129 Ca 0.00 -0.01 -0.13 0.00 -1.10 0.00 0.00 60.65 59.40 2bkd s ILE 129 Cb 0.00 -3.12 -0.05 0.00 -1.06 0.00 0.00 42.46 38.23 2bkd s ILE 129 CO 0.00 0.60 0.35 -0.54 -0.10 0.00 0.00 174.94 175.25 2bkd s LYS 130 N -0.88 3.91 -0.29 2.79 -0.14 -1.26 -5.07 119.74 118.80 2bkd s LYS 130 Ca 0.13 0.27 -0.23 0.00 -1.36 0.00 0.00 55.97 54.79 2bkd s LYS 130 Cb -0.12 -3.26 -0.00 0.00 -1.68 0.00 0.00 37.83 32.77 2bkd s LYS 130 CO 0.03 0.61 0.76 -1.17 -0.76 0.00 0.00 175.35 174.82 2bkd s LEU 131 N -0.74 4.09 -0.10 3.17 0.20 -1.26 -5.01 118.68 119.04 2bkd s LEU 131 Ca 0.21 0.68 -0.04 0.00 0.69 0.00 0.00 54.13 55.68 2bkd s LEU 131 Cb -0.15 -3.04 0.05 0.00 -0.43 0.00 0.00 46.19 42.62 2bkd s LEU 131 CO 0.10 -0.56 0.17 -1.81 -0.29 0.00 0.00 176.35 173.96 2bkd s ASP 132 N 1.57 0.79 -0.28 3.68 1.01 -1.26 -5.12 116.67 117.07 2bkd s ASP 132 Ca 0.31 0.30 0.01 0.00 0.71 0.00 0.00 52.55 53.89 2bkd s ASP 132 Cb -0.14 0.32 0.08 0.00 1.01 0.00 0.00 42.92 44.18 2bkd s ASP 132 CO 0.11 -0.25 0.01 -0.69 0.21 0.00 0.00 175.17 174.56 2bkd s VAL 133 N 2.31 1.54 -2.00 -1.27 1.01 -1.26 -5.31 120.40 115.42 2bkd s VAL 133 Ca 0.03 -1.52 0.14 0.00 0.00 0.00 0.00 61.98 60.63 2bkd s VAL 133 Cb -0.12 -1.97 0.39 0.00 0.00 0.00 0.00 36.38 34.68 2bkd s VAL 133 CO -0.07 -0.35 1.25 -2.65 0.00 0.00 0.00 175.10 173.28