#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bnr s GLU 3 N 0.00 0.91 -0.13 3.69 2.02 -1.26 -4.99 118.70 118.94 2bnr s GLU 3 Ca 0.00 -0.13 0.00 0.00 0.02 0.00 0.00 54.97 54.86 2bnr s GLU 3 Cb 0.00 -0.89 -0.01 0.00 0.10 0.00 0.00 34.13 33.32 2bnr s GLU 3 CO 0.00 -0.07 -0.14 0.08 0.02 0.00 0.00 175.26 175.15 2bnr s VAL 4 N 0.90 2.98 0.01 2.63 1.01 -1.26 -2.02 120.40 124.65 2bnr s VAL 4 Ca -0.11 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.22 2bnr s VAL 4 Cb -0.14 -2.24 -0.01 0.00 0.00 0.00 0.00 36.38 33.98 2bnr s VAL 4 CO 0.00 0.53 -0.14 0.42 0.00 0.00 0.00 175.10 175.91 2bnr s THR 5 N 0.33 1.09 -0.25 3.92 -4.23 0.15 -4.42 115.64 112.23 2bnr s THR 5 Ca -0.11 -0.73 0.00 0.00 -1.18 0.00 0.00 61.69 59.67 2bnr s THR 5 Cb -0.16 -0.94 0.07 0.00 1.34 0.00 0.00 72.50 72.81 2bnr s THR 5 CO 0.06 0.20 0.00 -1.10 -0.54 0.00 0.00 174.62 173.25 2bnr s GLN 6 N -0.60 1.24 -0.05 3.99 -0.21 -1.26 -0.84 119.66 121.93 2bnr s GLN 6 Ca 0.04 -0.99 0.02 0.00 0.02 0.00 0.00 55.36 54.46 2bnr s GLN 6 Cb -0.06 -2.44 0.01 0.00 1.00 0.00 0.00 33.01 31.52 2bnr s GLN 6 CO 0.00 -0.72 -0.11 0.42 -2.12 0.00 0.00 175.29 172.76 2bnr s ILE 7 N 1.48 1.03 0.73 1.08 -1.09 -1.26 -3.50 121.20 119.68 2bnr s ILE 7 Ca -0.00 -0.45 -0.13 0.00 -2.23 0.00 0.00 60.65 57.84 2bnr s ILE 7 Cb -0.18 -0.94 0.04 0.00 -1.58 0.00 0.00 42.46 39.80 2bnr s ILE 7 CO -0.11 0.32 1.12 -2.84 -1.23 0.00 0.00 174.94 172.21 2bnr s PRO 8 N 0.48 2.37 0.00 2.79 0.02 -1.26 -4.50 135.00 134.90 2bnr s PRO 8 Ca -0.10 1.38 0.27 0.00 0.02 0.00 0.00 61.00 62.57 2bnr s PRO 8 Cb -0.13 -1.90 0.86 0.00 0.02 0.00 0.00 34.50 33.35 2bnr s PRO 8 CO 0.02 -1.58 1.66 0.00 -0.33 0.00 0.00 177.00 176.77 2bnr n ALA 9 N -2.98 2.98 -3.00 -1.55 0.00 -1.23 -4.71 120.51 110.02 2bnr n ALA 9 Ca 0.10 -0.24 -0.11 0.00 0.00 0.00 0.00 53.44 53.19 2bnr n ALA 9 Cb 0.52 -1.28 -0.12 0.00 0.00 0.00 0.00 19.45 18.57 2bnr n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bnr s ALA 10 N -2.97 -0.15 -0.11 0.00 0.00 -1.26 -0.59 121.76 116.67 2bnr s ALA 10 Ca 0.13 -0.05 -0.05 0.00 0.00 0.00 0.00 51.96 52.00 2bnr s ALA 10 Cb 0.18 -0.01 0.05 0.00 0.00 0.00 0.00 23.12 23.34 2bnr s ALA 10 CO 0.61 -0.11 0.24 -1.17 0.00 0.00 0.00 175.76 175.34 2bnr s LEU 11 N -0.64 0.24 -0.15 0.00 2.96 0.26 -4.91 118.68 116.45 2bnr s LEU 11 Ca -0.07 0.52 0.01 0.00 -0.22 0.00 0.00 54.13 54.37 2bnr s LEU 11 Cb -0.04 0.69 -0.00 0.00 0.50 0.00 0.00 46.19 47.33 2bnr s LEU 11 CO 0.00 -0.19 -0.16 -0.55 -1.32 0.00 0.00 176.35 174.14 2bnr s SER 12 N 1.57 3.61 0.01 3.68 0.15 -1.26 -0.62 113.70 120.85 2bnr s SER 12 Ca -0.06 -0.47 -0.01 0.00 0.70 0.00 0.00 55.95 56.10 2bnr s SER 12 Cb -0.11 -1.55 -0.01 0.00 -1.71 0.00 0.00 66.02 62.64 2bnr s SER 12 CO -0.08 0.09 -0.00 0.54 1.20 0.00 0.00 173.24 174.99 2bnr s VAL 13 N 0.76 0.07 0.30 4.45 0.11 0.31 -4.99 120.40 121.42 2bnr s VAL 13 Ca -0.06 -0.60 -0.28 0.00 -2.93 0.00 0.00 61.98 58.10 2bnr s VAL 13 Cb -0.15 -0.20 -0.09 0.00 -1.53 0.00 0.00 36.38 34.40 2bnr s VAL 13 CO 0.01 -0.33 1.04 -2.84 -3.33 0.00 0.00 175.10 169.64 2bnr s PRO 14 N -0.99 4.59 0.27 1.54 0.02 -1.26 -0.68 135.00 138.49 2bnr s PRO 14 Ca -0.11 1.63 -0.30 0.00 0.02 0.00 0.00 61.00 62.25 2bnr s PRO 14 Cb -0.07 -3.05 -0.14 0.00 0.02 0.00 0.00 34.50 31.27 2bnr s PRO 14 CO -0.00 0.22 1.17 -1.91 -0.33 0.00 0.00 177.00 176.15 2bnr n GLU 15 N 0.95 1.60 0.00 5.54 2.13 -0.19 -2.73 120.64 127.94 2bnr n GLU 15 Ca 0.00 0.57 0.00 0.00 0.66 0.00 0.00 57.16 58.39 2bnr n GLU 15 Cb 0.47 -2.06 0.00 0.00 0.27 0.00 0.00 31.44 30.12 2bnr n GLU 15 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2bnr n GLY 16 N 1.49 3.19 3.82 8.31 0.00 0.18 -4.88 105.19 117.30 2bnr n GLY 16 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 2bnr n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2bnr s GLU 17 N -0.62 4.18 -0.04 1.61 2.02 -1.11 -4.16 118.70 120.59 2bnr s GLU 17 Ca 0.00 1.11 -0.27 0.00 0.02 0.00 0.00 54.97 55.83 2bnr s GLU 17 Cb 0.00 -2.17 -0.03 0.00 0.10 0.00 0.00 34.13 32.03 2bnr s GLU 17 CO 0.00 -0.07 0.84 -0.80 0.02 0.00 0.00 175.26 175.25 2bnr s ASN 18 N -2.29 7.17 0.34 -0.19 0.02 -1.26 -2.10 114.94 116.64 2bnr s ASN 18 Ca 0.62 1.42 0.09 0.00 -1.02 0.00 0.00 52.86 53.97 2bnr s ASN 18 Cb -0.09 -2.49 -0.06 0.00 0.02 0.00 0.00 41.25 38.62 2bnr s ASN 18 CO 0.16 -0.20 -0.09 -1.48 0.02 0.00 0.00 177.10 175.50 2bnr s LEU 19 N 0.96 2.72 -0.04 0.60 0.05 0.05 -4.98 118.68 118.04 2bnr s LEU 19 Ca 0.45 -1.20 0.02 0.00 0.05 0.00 0.00 54.13 53.45 2bnr s LEU 19 Cb -0.19 -0.98 0.01 0.00 -2.05 0.00 0.00 46.19 42.97 2bnr s LEU 19 CO 0.23 -0.21 -0.10 -0.69 -0.55 0.00 0.00 176.35 175.03 2bnr s VAL 20 N -2.63 0.89 -0.06 1.48 1.01 -1.26 -1.61 120.40 118.21 2bnr s VAL 20 Ca 0.32 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 61.98 2bnr s VAL 20 Cb 0.03 -0.81 -0.02 0.00 0.00 0.00 0.00 36.38 35.57 2bnr s VAL 20 CO 0.16 0.29 -0.18 -0.76 0.00 0.00 0.00 175.10 174.61 2bnr s LEU 21 N 0.49 2.48 0.05 3.92 1.43 0.36 -4.97 118.68 122.44 2bnr s LEU 21 Ca -0.09 -0.32 0.03 0.00 -1.03 0.00 0.00 54.13 52.72 2bnr s LEU 21 Cb -0.12 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 2bnr s LEU 21 CO 0.02 0.30 0.00 0.20 0.23 0.00 0.00 176.35 177.10 2bnr s ASN 22 N -0.46 5.07 -0.01 2.29 -0.87 -1.26 -0.44 114.94 119.25 2bnr s ASN 22 Ca 0.05 -0.10 -0.00 0.00 -1.57 0.00 0.00 52.86 51.24 2bnr s ASN 22 Cb -0.12 -1.26 0.02 0.00 -0.02 0.00 0.00 41.25 39.87 2bnr s ASN 22 CO 0.01 0.22 0.02 0.00 -2.57 0.00 0.00 177.10 174.79 2bnr s SER 24 N 0.57 0.94 0.00 0.00 0.01 -0.02 -0.76 113.70 114.44 2bnr s SER 24 Ca -0.05 -0.29 0.00 0.00 1.31 0.00 0.00 55.95 56.92 2bnr s SER 24 Cb -0.07 -0.06 -0.00 0.00 0.21 0.00 0.00 66.02 66.10 2bnr s SER 24 CO -0.02 -0.01 -0.02 0.72 0.41 0.00 0.00 173.24 174.33 2bnr s PHE 25 N -0.61 0.14 0.09 2.43 -0.12 -0.22 -0.68 117.98 119.02 2bnr s PHE 25 Ca -0.01 -0.08 0.11 0.00 -0.05 0.00 0.00 56.93 56.90 2bnr s PHE 25 Cb -0.05 -0.09 0.11 0.00 -0.63 0.00 0.00 43.02 42.35 2bnr s PHE 25 CO 0.00 -0.02 1.46 1.79 -0.05 0.00 0.00 175.22 178.40 2bnr h THR 26 N 5.06 1.33 -3.64 -4.49 1.35 -1.70 -3.42 112.91 107.40 2bnr h THR 26 Ca -0.26 -2.58 -0.69 0.00 -0.55 0.00 0.00 66.41 62.33 2bnr h THR 26 Cb 1.21 2.46 -0.28 0.00 -1.73 0.00 0.00 68.15 69.81 2bnr h THR 26 CO 0.50 0.69 -0.61 -0.62 -0.25 0.00 0.00 175.52 175.23 2bnr s ASP 27 N -6.63 5.25 0.18 5.36 -1.08 -1.26 -4.71 116.67 113.77 2bnr s ASP 27 Ca 0.01 -0.97 0.21 0.00 -0.52 0.00 0.00 52.55 51.28 2bnr s ASP 27 Cb 0.10 -1.88 0.87 0.00 -1.46 0.00 0.00 42.92 40.55 2bnr s ASP 27 CO 0.77 -0.28 1.63 -1.20 0.52 0.00 0.00 175.17 176.62 2bnr n SER 28 N 4.84 0.47 -3.73 -0.34 7.64 -1.26 -4.33 113.62 116.90 2bnr n SER 28 Ca -0.13 0.62 -0.42 0.00 1.01 0.00 0.00 58.87 59.95 2bnr n SER 28 Cb 0.46 -0.72 -0.00 0.00 -1.01 0.00 0.00 64.21 62.94 2bnr n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2bnr n ALA 29 N -1.69 5.58 -2.62 -0.43 0.00 -1.26 -4.90 120.51 115.19 2bnr n ALA 29 Ca 0.02 -3.91 -0.27 0.00 0.00 0.00 0.00 53.44 49.29 2bnr n ALA 29 Cb 0.21 -3.49 -0.09 0.00 0.00 0.00 0.00 19.45 16.08 2bnr n ALA 29 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2bnr s ILE 30 N 2.96 3.50 -0.04 0.00 -5.25 -1.26 -2.03 121.20 119.07 2bnr s ILE 30 Ca 0.47 -1.45 0.01 0.00 -0.99 0.00 0.00 60.65 58.69 2bnr s ILE 30 Cb 0.14 -2.73 -0.26 0.00 2.95 0.00 0.00 42.46 42.56 2bnr s ILE 30 CO -0.08 -0.06 0.68 0.22 -1.79 0.00 0.00 174.94 173.91 2bnr h TYR 31 N 2.96 0.31 -2.84 1.37 5.03 0.50 -3.40 116.97 120.89 2bnr h TYR 31 Ca -0.47 -0.23 0.08 0.00 2.58 0.00 0.00 58.73 60.69 2bnr h TYR 31 Cb 1.20 -0.01 -0.04 0.00 1.55 0.00 0.00 36.73 39.42 2bnr h TYR 31 CO 0.63 1.36 0.31 0.54 -1.32 0.00 0.00 178.16 179.68 2bnr s ASN 32 N -6.72 -0.17 -0.02 -2.11 2.20 -1.24 -1.63 114.94 105.26 2bnr s ASN 32 Ca -0.11 -0.69 0.01 0.00 -0.94 0.00 0.00 52.86 51.13 2bnr s ASN 32 Cb 0.07 0.69 0.02 0.00 -2.00 0.00 0.00 41.25 40.03 2bnr s ASN 32 CO 0.82 -1.31 -0.01 -0.22 -2.94 0.00 0.00 177.10 173.44 2bnr s LEU 33 N -2.99 1.49 -0.03 3.54 0.20 -0.28 -2.70 118.68 117.92 2bnr s LEU 33 Ca 0.13 -0.03 0.04 0.00 0.69 0.00 0.00 54.13 54.96 2bnr s LEU 33 Cb -0.05 -0.18 -0.01 0.00 -0.43 0.00 0.00 46.19 45.53 2bnr s LEU 33 CO 0.07 -0.05 -0.16 -1.58 -0.29 0.00 0.00 176.35 174.34 2bnr s GLN 34 N 0.60 1.45 -0.12 1.98 0.74 0.63 -0.37 119.66 124.57 2bnr s GLN 34 Ca -0.06 -0.55 -0.02 0.00 0.05 0.00 0.00 55.36 54.78 2bnr s GLN 34 Cb -0.09 -1.33 -0.03 0.00 1.10 0.00 0.00 33.01 32.66 2bnr s GLN 34 CO -0.01 0.27 -0.03 -1.58 -0.55 0.00 0.00 175.29 173.39 2bnr s TRP 35 N -0.13 3.04 0.27 1.67 0.52 -0.10 -1.08 118.94 123.12 2bnr s TRP 35 Ca 0.01 -0.09 0.04 0.00 0.02 0.00 0.00 56.10 56.07 2bnr s TRP 35 Cb -0.09 -1.86 -0.06 0.00 -1.15 0.00 0.00 33.47 30.32 2bnr s TRP 35 CO 0.01 0.18 0.02 -0.06 0.02 0.00 0.00 176.95 177.12 2bnr s PHE 36 N -0.23 1.71 0.03 -1.98 0.40 0.21 0.18 117.98 118.31 2bnr s PHE 36 Ca 0.04 -0.94 0.02 0.00 -0.60 0.00 0.00 56.93 55.45 2bnr s PHE 36 Cb -0.13 -1.03 -0.02 0.00 0.51 0.00 0.00 43.02 42.35 2bnr s PHE 36 CO 0.02 -0.03 -0.08 -0.98 0.70 0.00 0.00 175.22 174.85 2bnr s ARG 37 N -3.88 0.56 -0.05 0.44 1.70 -0.43 -0.91 118.95 116.38 2bnr s ARG 37 Ca 0.32 -0.63 -0.02 0.00 -0.47 0.00 0.00 55.73 54.93 2bnr s ARG 37 Cb 0.07 -0.42 0.04 0.00 -0.57 0.00 0.00 34.95 34.06 2bnr s ARG 37 CO 0.12 0.09 0.10 -1.14 -1.08 0.00 0.00 175.30 173.39 2bnr s GLN 38 N -1.18 0.04 0.12 3.89 0.74 0.31 -1.41 119.66 122.17 2bnr s GLN 38 Ca -0.05 0.30 -0.07 0.00 0.05 0.00 0.00 55.36 55.59 2bnr s GLN 38 Cb -0.08 -0.20 -0.06 0.00 1.10 0.00 0.00 33.01 33.77 2bnr s GLN 38 CO 0.00 -0.17 0.39 -0.51 -0.55 0.00 0.00 175.29 174.46 2bnr s ASP 39 N 1.13 6.55 0.21 6.67 1.11 -1.26 -1.48 116.67 129.60 2bnr s ASP 39 Ca -0.09 0.68 -0.32 0.00 0.18 0.00 0.00 52.55 53.00 2bnr s ASP 39 Cb -0.12 -2.13 -0.14 0.00 1.07 0.00 0.00 42.92 41.60 2bnr s ASP 39 CO -0.05 0.10 1.36 -0.81 1.18 0.00 0.00 175.17 176.95 2bnr n PRO 40 N 0.42 1.79 -0.99 8.23 -0.04 -1.26 -0.48 135.00 142.67 2bnr n PRO 40 Ca -0.05 0.64 0.00 0.00 -0.04 0.00 0.00 63.50 64.05 2bnr n PRO 40 Cb 0.52 -2.27 0.00 0.00 -0.04 0.00 0.00 33.50 31.71 2bnr n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2bnr n GLY 41 N 2.27 0.20 3.83 0.55 0.00 -1.26 -4.97 105.19 105.82 2bnr n GLY 41 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 2bnr n GLY 41 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2bnr s LYS 42 N -1.19 2.23 0.36 1.61 2.36 0.37 -5.16 119.74 120.33 2bnr s LYS 42 Ca 0.00 -2.31 -0.00 0.00 -2.55 0.00 0.00 55.97 51.11 2bnr s LYS 42 Cb 0.00 -1.72 0.07 0.00 -1.05 0.00 0.00 37.83 35.13 2bnr s LYS 42 CO 0.00 -0.51 0.49 0.41 1.55 0.00 0.00 175.35 177.29 2bnr n GLY 43 N -1.50 0.71 3.59 5.54 0.00 -1.26 -4.68 105.19 107.59 2bnr n GLY 43 Ca -0.15 -1.99 -0.37 0.00 0.00 0.00 0.00 46.02 43.51 2bnr n GLY 43 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bnr s LEU 44 N 0.00 3.94 -0.21 0.99 1.02 -1.26 -4.13 118.68 119.04 2bnr s LEU 44 Ca 0.33 -0.00 -0.07 0.00 0.02 0.00 0.00 54.13 54.40 2bnr s LEU 44 Cb -0.02 -2.08 -0.03 0.00 0.02 0.00 0.00 46.19 44.08 2bnr s LEU 44 CO 0.22 -0.00 0.06 -0.89 0.02 0.00 0.00 176.35 175.75 2bnr s THR 45 N 1.47 4.50 0.21 5.49 2.01 -0.50 -4.95 115.64 123.88 2bnr s THR 45 Ca 0.07 -0.12 -0.30 0.00 0.31 0.00 0.00 61.69 61.65 2bnr s THR 45 Cb -0.15 -3.06 -0.08 0.00 0.01 0.00 0.00 72.50 69.22 2bnr s THR 45 CO 0.07 0.41 1.11 -0.55 -0.69 0.00 0.00 174.62 174.98 2bnr s SER 46 N 0.90 7.24 -0.18 3.53 0.15 -1.26 -1.31 113.70 122.77 2bnr s SER 46 Ca 0.03 2.17 -0.11 0.00 0.70 0.00 0.00 55.95 58.74 2bnr s SER 46 Cb -0.14 -2.61 -0.08 0.00 -1.71 0.00 0.00 66.02 61.48 2bnr s SER 46 CO 0.03 -0.22 -0.27 0.18 1.20 0.00 0.00 173.24 174.16 2bnr n LEU 47 N 2.01 1.55 -3.75 3.45 4.77 0.13 -4.93 117.00 120.22 2bnr n LEU 47 Ca 0.02 0.26 -0.13 0.00 -0.03 0.00 0.00 56.01 56.13 2bnr n LEU 47 Cb 0.45 -0.62 -0.09 0.00 -2.33 0.00 0.00 43.42 40.83 2bnr n LEU 47 CO 0.54 0.18 0.03 -0.76 -1.33 0.00 0.00 177.39 176.06 2bnr s LEU 48 N -7.30 0.78 -0.11 2.23 1.43 -1.12 -4.93 118.68 109.67 2bnr s LEU 48 Ca -0.27 0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.02 2bnr s LEU 48 Cb 0.09 1.30 0.02 0.00 0.03 0.00 0.00 46.19 47.62 2bnr s LEU 48 CO 0.35 -0.41 -0.11 -0.22 0.23 0.00 0.00 176.35 176.20 2bnr s LEU 49 N -1.14 1.43 -0.25 1.79 1.98 -1.26 -0.92 118.68 120.30 2bnr s LEU 49 Ca -0.12 -0.35 -0.03 0.00 -2.89 0.00 0.00 54.13 50.75 2bnr s LEU 49 Cb -0.05 -0.93 0.02 0.00 0.66 0.00 0.00 46.19 45.90 2bnr s LEU 49 CO 0.04 -0.06 -0.03 -0.51 -1.89 0.00 0.00 176.35 173.90 2bnr s ILE 50 N 1.38 3.13 0.53 6.68 1.10 0.50 -4.91 121.20 129.61 2bnr s ILE 50 Ca -0.00 -0.91 -0.19 0.00 -0.51 0.00 0.00 60.65 59.04 2bnr s ILE 50 Cb -0.14 -2.58 -0.07 0.00 0.15 0.00 0.00 42.46 39.83 2bnr s ILE 50 CO -0.05 0.20 1.07 -1.10 -2.11 0.00 0.00 174.94 172.95 2bnr s GLN 51 N 1.37 3.55 0.66 3.50 -0.21 -1.26 -1.12 119.66 126.15 2bnr s GLN 51 Ca 0.01 1.41 0.33 0.00 0.02 0.00 0.00 55.36 57.13 2bnr s GLN 51 Cb -0.16 -2.05 1.79 0.00 1.00 0.00 0.00 33.01 33.59 2bnr s GLN 51 CO -0.03 -0.65 2.02 0.66 -2.12 0.00 0.00 175.29 175.16 2bnr h SER 52 N 1.20 0.00 -0.09 5.90 4.64 -1.56 0.61 113.55 124.25 2bnr h SER 52 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2bnr h SER 52 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2bnr h SER 52 CO 0.58 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.00 2bnr n SER 53 N -2.97 2.66 -4.65 4.97 3.41 -1.26 -4.93 113.62 110.84 2bnr n SER 53 Ca -0.02 -1.87 -0.27 0.00 -0.26 0.00 0.00 58.87 56.45 2bnr n SER 53 Cb 0.32 -0.04 -0.08 0.00 -0.26 0.00 0.00 64.21 64.15 2bnr n SER 53 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2bnr s GLN 54 N -1.91 2.38 -0.08 4.33 -1.52 0.20 -5.05 119.66 118.02 2bnr s GLN 54 Ca 0.32 -1.07 0.18 0.00 -1.95 0.00 0.00 55.36 52.84 2bnr s GLN 54 Cb 0.20 -2.37 -0.23 0.00 -0.22 0.00 0.00 33.01 30.40 2bnr s GLN 54 CO 0.31 0.47 0.42 -2.13 -0.25 0.00 0.00 175.29 174.11 2bnr n ARG 55 N 0.05 0.66 -3.68 2.91 0.63 -1.26 -4.73 116.66 111.23 2bnr n ARG 55 Ca -0.10 0.07 -0.09 0.00 -0.92 0.00 0.00 57.85 56.81 2bnr n ARG 55 Cb 0.54 -1.64 -0.02 0.00 0.45 0.00 0.00 32.46 31.80 2bnr n ARG 55 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 2bnr s GLU 56 N -2.79 1.52 -0.04 -0.14 -1.05 -1.26 -0.31 118.70 114.64 2bnr s GLU 56 Ca -0.07 -0.75 -0.08 0.00 -0.15 0.00 0.00 54.97 53.93 2bnr s GLU 56 Cb 0.08 0.58 0.01 0.00 -0.44 0.00 0.00 34.13 34.36 2bnr s GLU 56 CO 0.84 -0.69 0.18 -0.65 0.95 0.00 0.00 175.26 175.89 2bnr s GLN 57 N -3.78 0.36 0.02 -4.83 -1.52 -0.58 -5.00 119.66 104.34 2bnr s GLN 57 Ca 0.07 -0.04 0.04 0.00 -1.95 0.00 0.00 55.36 53.48 2bnr s GLN 57 Cb -0.04 0.16 -0.02 0.00 -0.22 0.00 0.00 33.01 32.90 2bnr s GLN 57 CO -0.01 -0.07 -0.12 0.99 -0.25 0.00 0.00 175.29 175.83 2bnr s THR 58 N -0.61 0.91 -0.27 -0.19 2.01 -1.26 -1.21 115.64 115.01 2bnr s THR 58 Ca -0.07 -0.81 0.00 0.00 0.31 0.00 0.00 61.69 61.13 2bnr s THR 58 Cb -0.04 -0.82 0.16 0.00 0.01 0.00 0.00 72.50 71.80 2bnr s THR 58 CO 0.01 0.02 0.43 -0.55 -0.69 0.00 0.00 174.62 173.84 2bnr s SER 59 N -0.89 -0.01 1.92 3.53 0.15 0.74 -4.99 113.70 114.14 2bnr s SER 59 Ca 0.01 0.01 0.00 0.00 0.70 0.00 0.00 55.95 56.67 2bnr s SER 59 Cb -0.07 1.30 0.00 0.00 -1.71 0.00 0.00 66.02 65.54 2bnr s SER 59 CO 0.01 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.74 2bnr n GLY 60 N 5.37 3.85 0.14 9.45 0.00 -1.26 -0.83 105.19 121.91 2bnr n GLY 60 Ca -0.01 -0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.16 2bnr n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bnr n ARG 61 N 13.84 1.07 -3.84 1.61 1.74 -1.26 -4.83 116.66 124.98 2bnr n ARG 61 Ca 0.00 -0.28 -0.37 0.00 -0.77 0.00 0.00 57.85 56.43 2bnr n ARG 61 Cb 0.00 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 29.88 2bnr n ARG 61 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2bnr s LEU 62 N -2.12 4.36 -0.17 0.55 1.02 -0.01 -1.21 118.68 121.10 2bnr s LEU 62 Ca 0.41 0.44 -0.09 0.00 0.02 0.00 0.00 54.13 54.91 2bnr s LEU 62 Cb 0.21 -2.09 0.06 0.00 0.02 0.00 0.00 46.19 44.40 2bnr s LEU 62 CO 0.39 0.37 0.40 0.21 0.02 0.00 0.00 176.35 177.73 2bnr s ASN 63 N -0.79 -0.48 -0.00 2.29 3.84 -0.55 -0.18 114.94 119.07 2bnr s ASN 63 Ca 0.14 0.87 0.05 0.00 0.21 0.00 0.00 52.86 54.13 2bnr s ASN 63 Cb -0.12 0.78 -0.01 0.00 -0.55 0.00 0.00 41.25 41.34 2bnr s ASN 63 CO 0.03 -0.19 -0.15 0.00 -2.79 0.00 0.00 177.10 173.99 2bnr s ALA 64 N 1.47 1.28 0.25 1.71 0.00 -0.35 0.97 121.76 127.10 2bnr s ALA 64 Ca -0.09 -0.71 0.10 0.00 0.00 0.00 0.00 51.96 51.26 2bnr s ALA 64 Cb -0.09 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 2bnr s ALA 64 CO -0.12 0.30 -0.03 -1.54 0.00 0.00 0.00 175.76 174.36 2bnr s SER 65 N -0.53 4.44 -0.06 0.00 1.04 -0.46 -1.52 113.70 116.60 2bnr s SER 65 Ca 0.05 -0.66 0.01 0.00 0.48 0.00 0.00 55.95 55.83 2bnr s SER 65 Cb -0.06 -0.79 0.02 0.00 0.10 0.00 0.00 66.02 65.29 2bnr s SER 65 CO -0.00 0.02 -0.06 -0.22 0.98 0.00 0.00 173.24 173.96 2bnr s LEU 66 N -3.51 1.29 -0.64 2.42 2.96 0.58 -2.23 118.68 119.54 2bnr s LEU 66 Ca 0.30 -0.19 0.05 0.00 -0.22 0.00 0.00 54.13 54.07 2bnr s LEU 66 Cb -0.07 -0.60 0.19 0.00 0.50 0.00 0.00 46.19 46.21 2bnr s LEU 66 CO 0.19 -0.06 0.53 -0.67 -1.32 0.00 0.00 176.35 175.02 2bnr n ASP 67 N 4.27 2.58 -0.23 3.68 2.03 0.24 -4.75 116.55 124.38 2bnr n ASP 67 Ca -0.20 -3.13 0.04 0.00 0.52 0.00 0.00 54.79 52.02 2bnr n ASP 67 Cb 0.51 -0.71 0.16 0.00 -0.72 0.00 0.00 41.12 40.36 2bnr n ASP 67 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2bnr h LYS 68 N 5.11 0.28 -0.97 -0.67 3.64 -1.94 -0.81 116.57 121.20 2bnr h LYS 68 Ca 0.17 -0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.56 2bnr h LYS 68 Cb 0.76 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.46 2bnr h LYS 68 CO 0.68 0.19 0.64 0.66 -2.27 0.00 0.00 179.45 179.35 2bnr h SER 69 N 0.29 1.08 0.04 4.20 4.64 -1.92 -1.57 113.55 120.31 2bnr h SER 69 Ca 0.38 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 2bnr h SER 69 Cb 0.61 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 2bnr h SER 69 CO -0.46 0.75 -0.04 -1.20 -0.87 0.00 0.00 176.83 175.01 2bnr n SER 70 N -4.42 1.27 -2.94 4.97 7.64 -0.65 -4.95 113.62 114.53 2bnr n SER 70 Ca 0.12 -1.33 -0.17 0.00 1.01 0.00 0.00 58.87 58.51 2bnr n SER 70 Cb 0.07 0.02 0.07 0.00 -1.01 0.00 0.00 64.21 63.35 2bnr n SER 70 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2bnr n GLY 71 N 1.19 -0.22 3.25 0.23 0.00 -0.40 -4.91 105.19 104.33 2bnr n GLY 71 Ca 0.18 0.03 -0.09 0.00 0.00 0.00 0.00 46.02 46.14 2bnr n GLY 71 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2bnr s ARG 72 N -5.62 0.93 -0.01 1.61 1.70 -0.95 -1.06 118.95 115.56 2bnr s ARG 72 Ca 0.26 -0.91 -0.05 0.00 -0.47 0.00 0.00 55.73 54.56 2bnr s ARG 72 Cb -0.11 0.38 -0.00 0.00 -0.57 0.00 0.00 34.95 34.64 2bnr s ARG 72 CO 0.58 -0.32 0.10 0.45 -1.08 0.00 0.00 175.30 175.03 2bnr s SER 73 N -2.85 0.03 -0.06 -2.89 0.15 0.06 -0.59 113.70 107.54 2bnr s SER 73 Ca 0.05 -0.16 0.02 0.00 0.70 0.00 0.00 55.95 56.57 2bnr s SER 73 Cb 0.04 0.19 0.01 0.00 -1.71 0.00 0.00 66.02 64.56 2bnr s SER 73 CO -0.10 -0.27 -0.12 -0.89 1.20 0.00 0.00 173.24 173.05 2bnr s THR 74 N -1.03 1.13 -0.23 6.45 2.01 -0.95 -1.18 115.64 121.83 2bnr s THR 74 Ca -0.11 -0.48 -0.07 0.00 0.31 0.00 0.00 61.69 61.34 2bnr s THR 74 Cb -0.06 -1.03 -0.03 0.00 0.01 0.00 0.00 72.50 71.38 2bnr s THR 74 CO 0.01 0.35 0.07 -0.22 -0.69 0.00 0.00 174.62 174.14 2bnr s LEU 75 N 0.65 3.53 -0.15 4.42 2.96 0.41 -1.35 118.68 129.15 2bnr s LEU 75 Ca -0.14 -0.14 -0.05 0.00 -0.22 0.00 0.00 54.13 53.57 2bnr s LEU 75 Cb -0.16 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.56 2bnr s LEU 75 CO 0.04 0.01 0.03 -0.31 -1.32 0.00 0.00 176.35 174.80 2bnr s TYR 76 N 1.34 3.19 -0.21 5.38 2.02 0.27 -0.49 117.35 128.86 2bnr s TYR 76 Ca 0.05 0.02 0.01 0.00 -0.37 0.00 0.00 57.07 56.79 2bnr s TYR 76 Cb -0.15 -1.98 0.04 0.00 -0.40 0.00 0.00 41.96 39.47 2bnr s TYR 76 CO 0.04 0.20 -0.13 0.42 -1.57 0.00 0.00 175.55 174.50 2bnr s ILE 77 N 0.05 1.90 0.29 2.71 -1.09 -0.64 -1.48 121.20 122.94 2bnr s ILE 77 Ca 0.04 -1.15 -0.12 0.00 -2.23 0.00 0.00 60.65 57.18 2bnr s ILE 77 Cb -0.13 -1.90 -0.08 0.00 -1.58 0.00 0.00 42.46 38.77 2bnr s ILE 77 CO 0.01 0.22 0.66 0.00 -1.23 0.00 0.00 174.94 174.61 2bnr s ALA 78 N 1.29 3.42 -1.31 9.38 0.00 -0.35 -0.77 121.76 133.42 2bnr s ALA 78 Ca -0.01 -0.11 -0.25 0.00 0.00 0.00 0.00 51.96 51.58 2bnr s ALA 78 Cb -0.16 -2.62 0.03 0.00 0.00 0.00 0.00 23.12 20.37 2bnr s ALA 78 CO -0.09 0.38 0.50 0.00 0.00 0.00 0.00 175.76 176.55 2bnr n ALA 79 N -0.35 -2.45 -1.44 0.00 0.00 -1.25 -4.80 120.51 110.22 2bnr n ALA 79 Ca 0.02 -0.54 -0.40 0.00 0.00 0.00 0.00 53.44 52.52 2bnr n ALA 79 Cb 0.53 -2.14 0.02 0.00 0.00 0.00 0.00 19.45 17.86 2bnr n ALA 79 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2bnr n SER 80 N -2.35 -1.21 -4.28 0.00 3.41 -0.89 -4.58 113.62 103.71 2bnr n SER 80 Ca -0.17 0.80 -0.18 0.00 -0.26 0.00 0.00 58.87 59.06 2bnr n SER 80 Cb 0.60 -1.12 -0.11 0.00 -0.26 0.00 0.00 64.21 63.32 2bnr n SER 80 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2bnr s GLN 81 N -1.77 1.13 0.40 4.33 -0.21 -1.26 -0.65 119.66 121.63 2bnr s GLN 81 Ca 0.65 -1.39 0.13 0.00 0.02 0.00 0.00 55.36 54.77 2bnr s GLN 81 Cb -0.51 -0.95 0.95 0.00 1.00 0.00 0.00 33.01 33.50 2bnr s GLN 81 CO 0.57 0.17 1.89 -1.35 -2.12 0.00 0.00 175.29 174.45 2bnr h PRO 82 N 3.10 0.52 0.00 2.91 0.11 -1.90 0.11 132.00 136.85 2bnr h PRO 82 Ca -0.39 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2bnr h PRO 82 Cb 1.20 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2bnr h PRO 82 CO 0.56 0.34 0.00 0.41 -0.21 0.00 0.00 178.00 179.10 2bnr n GLY 83 N -1.48 -0.74 0.02 -0.55 0.00 -1.26 -1.22 105.19 99.95 2bnr n GLY 83 Ca 0.16 -0.03 0.14 0.00 0.00 0.00 0.00 46.02 46.29 2bnr n GLY 83 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2bnr n ASP 84 N -1.49 0.20 -4.68 1.61 8.00 0.40 -4.85 116.55 115.74 2bnr n ASP 84 Ca 0.02 0.03 -0.42 0.00 0.71 0.00 0.00 54.79 55.13 2bnr n ASP 84 Cb 0.08 -0.23 -0.03 0.00 -0.02 0.00 0.00 41.12 40.93 2bnr n ASP 84 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2bnr s SER 85 N -2.82 6.42 0.00 -2.24 0.01 -0.36 -4.87 113.70 109.84 2bnr s SER 85 Ca 0.19 2.74 0.00 0.00 1.31 0.00 0.00 55.95 60.19 2bnr s SER 85 Cb 0.19 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.87 2bnr s SER 85 CO 0.54 -1.03 0.00 0.00 0.41 0.00 0.00 173.24 173.16 2bnr n ALA 86 N 6.52 0.00 -2.70 1.44 0.00 -0.54 -4.90 120.51 120.33 2bnr n ALA 86 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.27 2bnr n ALA 86 Cb 0.39 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.76 2bnr n ALA 86 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2bnr s THR 87 N -2.07 5.39 -0.19 0.00 2.01 -0.55 0.32 115.64 120.54 2bnr s THR 87 Ca 0.00 0.20 -0.08 0.00 0.31 0.00 0.00 61.69 62.12 2bnr s THR 87 Cb 0.00 -3.49 -0.04 0.00 0.01 0.00 0.00 72.50 68.98 2bnr s THR 87 CO 0.00 0.40 0.08 -0.31 -0.69 0.00 0.00 174.62 174.10 2bnr s TYR 88 N 0.64 3.28 -0.01 4.92 1.51 0.12 -0.53 117.35 127.28 2bnr s TYR 88 Ca 0.08 0.11 0.06 0.00 -1.01 0.00 0.00 57.07 56.31 2bnr s TYR 88 Cb -0.12 -2.11 -0.03 0.00 -0.11 0.00 0.00 41.96 39.59 2bnr s TYR 88 CO 0.01 0.15 -0.17 -0.51 -1.11 0.00 0.00 175.55 173.92 2bnr s LEU 89 N 0.47 2.60 -0.07 -1.29 1.43 -0.09 -0.80 118.68 120.93 2bnr s LEU 89 Ca 0.04 -0.33 0.03 0.00 -1.03 0.00 0.00 54.13 52.85 2bnr s LEU 89 Cb -0.12 -1.52 -0.02 0.00 0.03 0.00 0.00 46.19 44.56 2bnr s LEU 89 CO 0.00 0.30 -0.17 0.00 0.23 0.00 0.00 176.35 176.72 2bnr s ALA 91 N -0.32 0.00 0.09 0.00 0.00 -0.25 -0.49 121.76 120.80 2bnr s ALA 91 Ca 0.02 -0.48 0.03 0.00 0.00 0.00 0.00 51.96 51.53 2bnr s ALA 91 Cb -0.13 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 2bnr s ALA 91 CO 0.02 -0.18 -0.08 0.14 0.00 0.00 0.00 175.76 175.66 2bnr s VAL 92 N -1.53 0.76 0.08 0.00 -7.23 -0.65 -0.27 120.40 111.56 2bnr s VAL 92 Ca -0.15 -1.70 0.07 0.00 -1.81 0.00 0.00 61.98 58.40 2bnr s VAL 92 Cb -0.09 -1.40 -0.03 0.00 0.56 0.00 0.00 36.38 35.42 2bnr s VAL 92 CO -0.01 -0.68 -0.20 -0.13 -0.31 0.00 0.00 175.10 173.77 2bnr s ARG 93 N -3.11 1.17 0.33 4.82 0.52 -1.10 -0.50 118.95 121.09 2bnr s ARG 93 Ca 0.06 -1.06 -0.27 0.00 -0.52 0.00 0.00 55.73 53.94 2bnr s ARG 93 Cb -0.00 -1.35 -0.09 0.00 0.52 0.00 0.00 34.95 34.02 2bnr s ARG 93 CO -0.02 0.33 1.10 -1.25 0.02 0.00 0.00 175.30 175.47 2bnr s PRO 94 N -1.63 4.42 0.44 3.54 0.04 -1.26 0.10 135.00 140.65 2bnr s PRO 94 Ca 0.06 1.73 0.23 0.00 0.04 0.00 0.00 61.00 63.06 2bnr s PRO 94 Cb -0.09 -2.93 0.35 0.00 0.04 0.00 0.00 34.50 31.86 2bnr s PRO 94 CO 0.03 0.04 1.61 1.79 0.04 0.00 0.00 177.00 180.51 2bnr h THR 95 N 2.73 0.00 -4.29 1.26 1.35 -1.63 -3.37 112.91 108.97 2bnr h THR 95 Ca -0.47 -0.99 -0.33 0.00 -0.55 0.00 0.00 66.41 64.07 2bnr h THR 95 Cb 1.22 1.99 -0.09 0.00 -1.73 0.00 0.00 68.15 69.54 2bnr h THR 95 CO 0.65 0.00 -0.24 -0.94 -0.25 0.00 0.00 175.52 174.74 2bnr s SER 96 N -6.18 1.16 0.00 5.36 1.04 -1.26 -4.94 113.70 108.88 2bnr s SER 96 Ca 0.07 -1.58 0.00 0.00 0.48 0.00 0.00 55.95 54.92 2bnr s SER 96 Cb 0.05 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.83 2bnr s SER 96 CO 0.67 -1.28 0.00 0.61 0.98 0.00 0.00 173.24 174.22 2bnr n GLY 97 N -0.60 2.54 1.77 7.32 0.00 -1.26 -4.71 105.19 110.24 2bnr n GLY 97 Ca 0.02 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.44 2bnr n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bnr n GLY 98 N 0.00 0.48 0.09 -0.02 0.00 -1.26 -4.96 105.19 99.52 2bnr n GLY 98 Ca 0.00 -0.93 -0.12 0.00 0.00 0.00 0.00 46.02 44.97 2bnr n GLY 98 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2bnr n SER 99 N 1.77 2.30 0.00 1.61 3.41 -1.26 -5.00 113.62 116.45 2bnr n SER 99 Ca 0.00 -0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 2bnr n SER 99 Cb 0.10 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 2bnr n SER 99 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 2bnr n TYR 100 N -2.95 0.00 -2.02 7.33 4.02 -1.26 -4.98 117.16 117.30 2bnr n TYR 100 Ca -0.31 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.15 2bnr n TYR 100 Cb 0.88 -0.37 -0.03 0.00 -0.02 0.00 0.00 39.34 39.80 2bnr n TYR 100 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 2bnr s ILE 101 N -2.96 2.99 0.62 -0.72 1.01 -1.26 -4.85 121.20 116.02 2bnr s ILE 101 Ca 0.00 0.64 -0.11 0.00 0.00 0.00 0.00 60.65 61.17 2bnr s ILE 101 Cb 0.00 -3.41 -0.04 0.00 0.01 0.00 0.00 42.46 39.02 2bnr s ILE 101 CO 0.00 0.03 1.03 -2.84 0.00 0.00 0.00 174.94 173.16 2bnr s PRO 102 N 1.57 3.57 -0.17 2.79 0.02 -1.26 -4.40 135.00 137.12 2bnr s PRO 102 Ca 0.69 0.79 0.01 0.00 0.02 0.00 0.00 61.00 62.51 2bnr s PRO 102 Cb -0.40 -2.08 0.02 0.00 0.02 0.00 0.00 34.50 32.06 2bnr s PRO 102 CO 0.31 -0.59 -0.18 0.99 -0.33 0.00 0.00 177.00 177.19 2bnr s THR 103 N -3.12 1.90 0.04 0.99 2.01 0.35 -4.96 115.64 112.86 2bnr s THR 103 Ca 0.56 -0.85 -0.00 0.00 0.31 0.00 0.00 61.69 61.71 2bnr s THR 103 Cb -0.11 -1.73 -0.04 0.00 0.01 0.00 0.00 72.50 70.62 2bnr s THR 103 CO 0.52 0.51 0.20 -0.36 -0.69 0.00 0.00 174.62 174.80 2bnr s PHE 104 N 1.31 3.51 0.54 4.92 0.40 -1.26 -1.64 117.98 125.76 2bnr s PHE 104 Ca 0.04 0.26 -0.03 0.00 -0.60 0.00 0.00 56.93 56.61 2bnr s PHE 104 Cb -0.13 -1.77 0.01 0.00 0.51 0.00 0.00 43.02 41.64 2bnr s PHE 104 CO -0.11 0.60 0.81 0.20 0.70 0.00 0.00 175.22 177.41 2bnr s GLY 105 N -2.37 1.63 0.22 4.36 0.00 0.36 -4.61 107.32 106.91 2bnr s GLY 105 Ca 0.33 -0.94 0.24 0.00 0.00 0.00 0.00 44.72 44.35 2bnr s GLY 105 CO 0.26 -0.69 1.73 0.54 0.00 0.00 0.00 173.10 174.94 2bnr n ARG 106 N -2.39 0.20 0.00 2.90 5.12 -1.26 -4.63 116.66 116.60 2bnr n ARG 106 Ca 0.04 0.32 0.00 0.00 -1.93 0.00 0.00 57.85 56.28 2bnr n ARG 106 Cb 0.58 -1.81 0.00 0.00 -1.16 0.00 0.00 32.46 30.07 2bnr n ARG 106 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2bnr n GLY 107 N 0.53 0.10 3.25 -0.13 0.00 -1.26 -4.98 105.19 102.69 2bnr n GLY 107 Ca 0.04 -1.64 -0.34 0.00 0.00 0.00 0.00 46.02 44.07 2bnr n GLY 107 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bnr s THR 108 N -2.94 2.88 -0.21 2.61 2.01 0.02 -4.73 115.64 115.28 2bnr s THR 108 Ca 0.00 -0.67 -0.28 0.00 0.31 0.00 0.00 61.69 61.05 2bnr s THR 108 Cb 0.00 -2.27 0.00 0.00 0.01 0.00 0.00 72.50 70.24 2bnr s THR 108 CO 0.00 0.47 0.98 -0.94 -0.69 0.00 0.00 174.62 174.44 2bnr s SER 109 N 1.30 7.06 -0.12 3.53 1.04 0.24 -0.71 113.70 126.04 2bnr s SER 109 Ca 0.04 1.32 -0.01 0.00 0.48 0.00 0.00 55.95 57.78 2bnr s SER 109 Cb -0.14 -2.52 -0.02 0.00 0.10 0.00 0.00 66.02 63.44 2bnr s SER 109 CO -0.06 -0.59 -0.10 -0.22 0.98 0.00 0.00 173.24 173.26 2bnr s LEU 110 N 2.88 2.93 -0.16 2.42 2.96 0.15 -0.57 118.68 129.29 2bnr s LEU 110 Ca 0.42 -0.22 0.01 0.00 -0.22 0.00 0.00 54.13 54.12 2bnr s LEU 110 Cb -0.16 -1.66 0.02 0.00 0.50 0.00 0.00 46.19 44.89 2bnr s LEU 110 CO 0.08 0.21 -0.16 -0.51 -1.32 0.00 0.00 176.35 174.66 2bnr s ILE 111 N 0.10 1.70 -0.35 6.68 1.10 0.21 -1.46 121.20 129.18 2bnr s ILE 111 Ca -0.04 -0.71 -0.07 0.00 -0.51 0.00 0.00 60.65 59.31 2bnr s ILE 111 Cb -0.14 -1.58 0.04 0.00 0.15 0.00 0.00 42.46 40.93 2bnr s ILE 111 CO 0.04 0.48 0.14 -0.69 -2.11 0.00 0.00 174.94 172.80 2bnr s VAL 112 N 1.43 3.95 0.01 4.00 1.01 -1.26 -0.53 120.40 129.01 2bnr s VAL 112 Ca 0.05 -1.13 -0.30 0.00 0.00 0.00 0.00 61.98 60.60 2bnr s VAL 112 Cb -0.13 -3.26 -0.04 0.00 0.00 0.00 0.00 36.38 32.95 2bnr s VAL 112 CO -0.11 -0.23 1.14 -1.00 0.00 0.00 0.00 175.10 174.90 2bnr s HIS 113 N 1.42 3.43 0.52 5.22 0.09 0.14 -4.23 115.29 121.88 2bnr s HIS 113 Ca -0.00 1.39 -0.23 0.00 -0.00 0.00 0.00 55.06 56.22 2bnr s HIS 113 Cb -0.20 -3.34 -0.06 0.00 -0.00 0.00 0.00 32.58 28.98 2bnr s HIS 113 CO 0.03 -0.94 1.34 -2.14 -0.00 0.00 0.00 174.74 173.03 2bnr s PRO 114 N 1.39 3.33 -0.29 8.40 0.02 -1.26 -1.02 135.00 145.56 2bnr s PRO 114 Ca 0.56 2.20 -0.19 0.00 0.02 0.00 0.00 61.00 63.59 2bnr s PRO 114 Cb -0.26 -2.35 -0.01 0.00 0.02 0.00 0.00 34.50 31.90 2bnr s PRO 114 CO 0.27 -1.03 0.58 -0.47 -0.33 0.00 0.00 177.00 176.02 2bnr s TYR 115 N -1.32 3.23 -0.50 6.54 6.14 -1.26 -4.51 117.35 125.67 2bnr s TYR 115 Ca 0.68 0.57 -0.16 0.00 0.64 0.00 0.00 57.07 58.80 2bnr s TYR 115 Cb -0.39 -2.89 0.09 0.00 0.42 0.00 0.00 41.96 39.19 2bnr s TYR 115 CO 0.47 -0.41 0.46 0.42 0.64 0.00 0.00 175.55 177.13 2bnr s ILE 116 N 2.48 5.18 0.13 3.14 1.09 -1.26 -4.96 121.20 127.01 2bnr s ILE 116 Ca 0.23 -1.12 -0.21 0.00 -1.10 0.00 0.00 60.65 58.45 2bnr s ILE 116 Cb -0.15 -4.21 -0.01 0.00 -1.06 0.00 0.00 42.46 37.02 2bnr s ILE 116 CO 0.11 -0.70 1.69 1.56 -0.10 0.00 0.00 174.94 177.50 2bnr h GLN 117 N 8.83 -0.08 -2.84 2.79 1.08 -1.95 -3.35 115.11 119.59 2bnr h GLN 117 Ca -0.29 0.01 -0.61 0.00 -1.45 0.00 0.00 58.65 56.31 2bnr h GLN 117 Cb 1.11 0.02 -0.41 0.00 -0.05 0.00 0.00 27.48 28.15 2bnr h GLN 117 CO 0.94 -0.05 -0.71 -0.80 -0.95 0.00 0.00 178.83 177.26 2bnr s ASN 118 N -5.14 3.67 0.47 1.46 0.01 -1.26 -5.10 114.94 109.04 2bnr s ASN 118 Ca -0.14 -3.58 -0.23 0.00 -0.71 0.00 0.00 52.86 48.21 2bnr s ASN 118 Cb 0.11 -1.23 -0.09 0.00 0.41 0.00 0.00 41.25 40.45 2bnr s ASN 118 CO 0.68 -0.12 1.03 -2.65 -1.51 0.00 0.00 177.10 174.54 2bnr n PRO 119 N 2.28 1.32 -2.86 -0.60 -0.02 -1.26 -4.94 135.00 128.93 2bnr n PRO 119 Ca 0.23 0.48 -0.11 0.00 -2.02 0.00 0.00 63.50 62.07 2bnr n PRO 119 Cb 0.39 -2.12 0.05 0.00 -0.02 0.00 0.00 33.50 31.80 2bnr n PRO 119 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2bnr n ASP 120 N 0.15 -0.80 -4.62 2.55 -0.08 0.40 -5.03 116.55 109.13 2bnr n ASP 120 Ca 0.10 -3.15 -0.54 0.00 -1.51 0.00 0.00 54.79 49.69 2bnr n ASP 120 Cb 0.41 0.68 -0.06 0.00 2.34 0.00 0.00 41.12 44.49 2bnr n ASP 120 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 2bnr n PRO 121 N 0.12 1.12 -3.61 -0.67 -0.04 -1.16 -4.62 135.00 126.13 2bnr n PRO 121 Ca 0.11 0.40 -0.13 0.00 -0.04 0.00 0.00 63.50 63.84 2bnr n PRO 121 Cb 0.73 -2.05 -0.06 0.00 -0.04 0.00 0.00 33.50 32.08 2bnr n PRO 121 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2bnr s ALA 122 N 1.25 -1.19 -0.21 0.55 0.00 -0.77 -0.28 121.76 121.11 2bnr s ALA 122 Ca 0.88 0.45 0.01 0.00 0.00 0.00 0.00 51.96 53.31 2bnr s ALA 122 Cb -0.99 0.39 0.04 0.00 0.00 0.00 0.00 23.12 22.56 2bnr s ALA 122 CO 0.52 -0.50 -0.13 0.08 0.00 0.00 0.00 175.76 175.73 2bnr s VAL 123 N -2.54 1.87 0.16 0.00 1.01 -0.66 -1.02 120.40 119.22 2bnr s VAL 123 Ca -0.05 -1.14 0.06 0.00 0.00 0.00 0.00 61.98 60.86 2bnr s VAL 123 Cb -0.01 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 2bnr s VAL 123 CO -0.03 0.22 0.02 -0.31 0.00 0.00 0.00 175.10 175.00 2bnr s TYR 124 N 1.30 2.92 -0.20 5.22 2.02 0.10 -4.46 117.35 124.25 2bnr s TYR 124 Ca -0.01 -0.10 -0.05 0.00 -0.37 0.00 0.00 57.07 56.53 2bnr s TYR 124 Cb -0.16 -1.43 -0.03 0.00 -0.40 0.00 0.00 41.96 39.94 2bnr s TYR 124 CO -0.09 0.51 0.00 -1.14 -1.57 0.00 0.00 175.55 173.27 2bnr s GLN 125 N -2.86 3.65 -0.07 -0.62 0.74 -1.26 -0.02 119.66 119.22 2bnr s GLN 125 Ca 0.28 -0.50 0.04 0.00 0.05 0.00 0.00 55.36 55.22 2bnr s GLN 125 Cb -0.10 -3.08 -0.02 0.00 1.10 0.00 0.00 33.01 30.91 2bnr s GLN 125 CO 0.19 0.05 -0.18 -0.51 -0.55 0.00 0.00 175.29 174.29 2bnr s LEU 126 N 0.91 2.49 0.03 3.68 1.43 -0.57 -4.98 118.68 121.68 2bnr s LEU 126 Ca 0.01 -0.34 -0.00 0.00 -1.03 0.00 0.00 54.13 52.77 2bnr s LEU 126 Cb -0.14 -1.50 -0.04 0.00 0.03 0.00 0.00 46.19 44.54 2bnr s LEU 126 CO 0.02 0.27 0.14 -0.13 0.23 0.00 0.00 176.35 176.89 2bnr s ARG 127 N -0.30 3.22 0.27 1.70 0.52 -1.26 -1.45 118.95 121.65 2bnr s ARG 127 Ca 0.02 -0.48 -0.31 0.00 -0.52 0.00 0.00 55.73 54.44 2bnr s ARG 127 Cb -0.13 -2.94 -0.12 0.00 0.52 0.00 0.00 34.95 32.28 2bnr s ARG 127 CO 0.03 0.62 1.53 -3.47 0.02 0.00 0.00 175.30 174.02 2bnr n ASP 128 N 0.69 3.42 0.25 0.23 -0.08 -0.05 -4.87 116.55 116.14 2bnr n ASP 128 Ca -0.09 1.14 0.11 0.00 -1.51 0.00 0.00 54.79 54.44 2bnr n ASP 128 Cb 0.52 -1.53 0.63 0.00 2.34 0.00 0.00 41.12 43.09 2bnr n ASP 128 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 2bnr h SER 129 N 4.62 0.00 0.35 1.67 4.64 -1.97 -3.06 113.55 119.80 2bnr h SER 129 Ca -0.46 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 60.54 2bnr h SER 129 Cb 1.24 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.28 2bnr h SER 129 CO 0.78 0.17 -1.90 1.17 -0.87 0.00 0.00 176.83 176.18 2bnr n LYS 130 N -3.60 0.65 -3.52 4.77 4.81 -1.26 -4.87 118.16 115.14 2bnr n LYS 130 Ca -0.01 0.22 -0.19 0.00 -0.87 0.00 0.00 58.31 57.45 2bnr n LYS 130 Cb 0.30 -1.72 -0.14 0.00 0.02 0.00 0.00 35.03 33.49 2bnr n LYS 130 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 2bnr s SER 131 N -5.99 1.49 0.00 3.14 1.04 -1.16 -4.96 113.70 107.26 2bnr s SER 131 Ca -0.07 -0.25 0.02 0.00 0.48 0.00 0.00 55.95 56.13 2bnr s SER 131 Cb 0.07 0.28 0.11 0.00 0.10 0.00 0.00 66.02 66.58 2bnr s SER 131 CO 0.82 -0.33 0.53 -1.20 0.98 0.00 0.00 173.24 174.04 2bnr n SER 132 N 5.31 0.00 -0.03 7.02 7.64 -1.25 -1.86 113.62 130.45 2bnr n SER 132 Ca -0.06 -0.07 -0.15 0.00 1.01 0.00 0.00 58.87 59.60 2bnr n SER 132 Cb 0.49 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.60 2bnr n SER 132 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2bnr h ASP 133 N 0.00 0.39 -2.82 6.43 1.82 -1.93 -3.46 116.42 116.85 2bnr h ASP 133 Ca 0.00 -0.66 -0.59 0.00 -0.39 0.00 0.00 57.03 55.39 2bnr h ASP 133 Cb 0.00 -0.12 -0.07 0.00 0.68 0.00 0.00 39.33 39.83 2bnr h ASP 133 CO 0.00 1.00 -0.56 -1.59 -1.61 0.00 0.00 179.24 176.48 2bnr s LYS 134 N -3.58 3.01 0.34 0.28 -2.85 -0.78 -5.02 119.74 111.14 2bnr s LYS 134 Ca -0.14 -0.76 -0.08 0.00 -1.00 0.00 0.00 55.97 53.99 2bnr s LYS 134 Cb 0.03 -2.74 0.02 0.00 -2.06 0.00 0.00 37.83 33.08 2bnr s LYS 134 CO 0.77 0.52 0.57 -1.54 0.10 0.00 0.00 175.35 175.77 2bnr s SER 135 N -2.89 0.48 0.12 0.03 1.04 -1.26 -0.87 113.70 110.35 2bnr s SER 135 Ca 0.31 -1.29 0.01 0.00 0.48 0.00 0.00 55.95 55.46 2bnr s SER 135 Cb -0.11 0.71 -0.04 0.00 0.10 0.00 0.00 66.02 66.67 2bnr s SER 135 CO 0.24 -1.39 -0.01 0.68 0.98 0.00 0.00 173.24 173.74 2bnr s VAL 136 N -3.01 0.46 -0.14 5.02 -7.23 -0.53 -4.73 120.40 110.25 2bnr s VAL 136 Ca 0.25 -1.92 -0.02 0.00 -1.81 0.00 0.00 61.98 58.48 2bnr s VAL 136 Cb -0.02 -1.86 -0.02 0.00 0.56 0.00 0.00 36.38 35.04 2bnr s VAL 136 CO 0.16 -0.69 -0.09 0.00 -0.31 0.00 0.00 175.10 174.17 2bnr s LEU 138 N 0.26 3.21 -0.32 0.00 2.96 0.97 -1.27 118.68 124.49 2bnr s LEU 138 Ca -0.06 -0.71 -0.13 0.00 -0.22 0.00 0.00 54.13 53.01 2bnr s LEU 138 Cb -0.15 -1.72 -0.03 0.00 0.50 0.00 0.00 46.19 44.80 2bnr s LEU 138 CO 0.04 -0.11 0.25 0.12 -1.32 0.00 0.00 176.35 175.34 2bnr s PHE 139 N 1.40 3.22 0.17 5.38 5.36 -0.49 0.02 117.98 133.04 2bnr s PHE 139 Ca 0.02 -0.04 -0.05 0.00 -0.96 0.00 0.00 56.93 55.91 2bnr s PHE 139 Cb -0.16 -2.49 -0.03 0.00 -0.34 0.00 0.00 43.02 40.01 2bnr s PHE 139 CO -0.03 -0.30 0.19 -0.08 -1.46 0.00 0.00 175.22 173.54 2bnr s THR 140 N 1.81 0.05 -1.60 0.12 -1.32 -0.19 -0.99 115.64 113.51 2bnr s THR 140 Ca 0.08 -1.73 0.00 0.00 -1.21 0.00 0.00 61.69 58.83 2bnr s THR 140 Cb -0.17 -2.12 0.00 0.00 -1.51 0.00 0.00 72.50 68.70 2bnr s THR 140 CO 0.11 -0.24 0.00 0.47 -2.21 0.00 0.00 174.62 172.75 2bnr n ASP 141 N -0.21 -4.83 -4.89 8.08 8.00 -0.54 -1.85 116.55 120.32 2bnr n ASP 141 Ca -0.04 0.35 -0.29 0.00 0.71 0.00 0.00 54.79 55.52 2bnr n ASP 141 Cb 0.64 -3.71 -0.01 0.00 -0.02 0.00 0.00 41.12 38.02 2bnr n ASP 141 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 2bnr s PHE 142 N -2.59 3.53 0.73 1.24 -0.71 -1.26 -0.45 117.98 118.47 2bnr s PHE 142 Ca 0.00 1.00 -0.08 0.00 -1.04 0.00 0.00 56.93 56.81 2bnr s PHE 142 Cb 0.00 -2.44 0.16 0.00 -1.21 0.00 0.00 43.02 39.53 2bnr s PHE 142 CO 0.00 -0.28 0.99 -0.40 -1.34 0.00 0.00 175.22 174.19 2bnr n ASP 143 N -1.95 0.51 0.30 1.98 5.68 -1.26 -4.48 116.55 117.32 2bnr n ASP 143 Ca 0.02 -1.62 0.17 0.00 -0.50 0.00 0.00 54.79 52.87 2bnr n ASP 143 Cb 0.54 -0.72 0.98 0.00 -1.14 0.00 0.00 41.12 40.79 2bnr n ASP 143 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 2bnr h SER 144 N -1.06 0.00 0.31 -1.12 4.64 -1.95 -3.07 113.55 111.30 2bnr h SER 144 Ca -0.32 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 60.98 2bnr h SER 144 Cb 1.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.09 2bnr h SER 144 CO 0.27 0.00 -0.09 1.56 -0.87 0.00 0.00 176.83 177.70 2bnr h GLN 145 N 0.00 0.00 -6.18 4.77 4.20 -1.96 -3.44 115.11 112.50 2bnr h GLN 145 Ca 0.01 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 58.14 2bnr h GLN 145 Cb 0.10 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.83 2bnr h GLN 145 CO -0.00 0.09 -0.10 -0.08 -0.67 0.00 0.00 178.83 178.07 2bnr s THR 146 N -4.24 4.86 -0.05 -0.54 -1.32 -1.16 -5.08 115.64 108.10 2bnr s THR 146 Ca -0.03 1.01 0.04 0.00 -1.21 0.00 0.00 61.69 61.50 2bnr s THR 146 Cb 0.13 -3.80 -0.02 0.00 -1.51 0.00 0.00 72.50 67.30 2bnr s THR 146 CO 0.57 0.50 -0.16 0.20 -2.21 0.00 0.00 174.62 173.51 2bnr s ASN 147 N -1.23 3.85 -0.28 8.08 0.01 -1.26 -5.01 114.94 119.09 2bnr s ASN 147 Ca 0.29 -0.26 -0.11 0.00 -0.71 0.00 0.00 52.86 52.07 2bnr s ASN 147 Cb -0.18 -0.83 -0.05 0.00 0.41 0.00 0.00 41.25 40.60 2bnr s ASN 147 CO 0.17 0.32 0.20 -0.69 -1.51 0.00 0.00 177.10 175.60 2bnr s VAL 148 N -0.61 5.31 0.28 1.60 1.01 -1.26 -4.33 120.40 122.39 2bnr s VAL 148 Ca 0.09 0.16 -0.00 0.00 0.00 0.00 0.00 61.98 62.23 2bnr s VAL 148 Cb -0.11 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 2bnr s VAL 148 CO 0.01 0.23 0.48 -0.44 0.00 0.00 0.00 175.10 175.38 2bnr s SER 149 N 1.76 6.34 0.90 3.32 0.01 -1.26 -4.86 113.70 119.91 2bnr s SER 149 Ca 0.07 0.42 -0.12 0.00 1.31 0.00 0.00 55.95 57.64 2bnr s SER 149 Cb -0.16 -2.02 0.13 0.00 0.21 0.00 0.00 66.02 64.18 2bnr s SER 149 CO 0.11 -0.18 1.10 -1.10 0.41 0.00 0.00 173.24 173.58 2bnr s GLN 150 N -3.87 1.25 0.51 12.44 -1.52 -1.26 -4.81 119.66 122.39 2bnr s GLN 150 Ca 0.39 0.61 -0.19 0.00 -1.95 0.00 0.00 55.36 54.23 2bnr s GLN 150 Cb -0.10 -1.82 -0.08 0.00 -0.22 0.00 0.00 33.01 30.79 2bnr s GLN 150 CO 0.32 -2.19 1.02 0.45 -0.25 0.00 0.00 175.29 174.64 2bnr s SER 151 N -3.66 6.38 0.00 5.90 0.15 -1.26 -4.83 113.70 116.38 2bnr s SER 151 Ca 0.63 1.78 0.26 0.00 0.70 0.00 0.00 55.95 59.33 2bnr s SER 151 Cb -0.17 -2.54 0.75 0.00 -1.71 0.00 0.00 66.02 62.36 2bnr s SER 151 CO 0.56 -0.76 1.56 2.29 1.20 0.00 0.00 173.24 178.10 2bnr n LYS 152 N -1.29 0.71 -4.19 5.44 -0.00 -1.26 -4.85 118.16 112.71 2bnr n LYS 152 Ca 0.08 -0.40 -0.35 0.00 -0.00 0.00 0.00 58.31 57.64 2bnr n LYS 152 Cb 0.53 -1.49 -0.08 0.00 -0.00 0.00 0.00 35.03 33.99 2bnr n LYS 152 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2bnr s ASP 153 N -2.57 5.60 0.49 -5.58 1.01 -1.26 -5.10 116.67 109.26 2bnr s ASP 153 Ca 0.23 0.21 -0.21 0.00 0.71 0.00 0.00 52.55 53.49 2bnr s ASP 153 Cb 0.19 -1.64 -0.08 0.00 1.01 0.00 0.00 42.92 42.40 2bnr s ASP 153 CO 0.54 0.36 1.08 -0.55 0.21 0.00 0.00 175.17 176.81 2bnr s SER 154 N -1.14 6.17 -1.28 0.27 0.15 -1.26 -3.20 113.70 113.41 2bnr s SER 154 Ca 0.16 2.05 0.00 0.00 0.70 0.00 0.00 55.95 58.87 2bnr s SER 154 Cb -0.12 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.62 2bnr s SER 154 CO 0.06 -0.91 0.00 0.47 1.20 0.00 0.00 173.24 174.06 2bnr n ASP 155 N -0.94 -4.44 -4.19 5.45 8.00 -1.26 -4.99 116.55 114.18 2bnr n ASP 155 Ca 0.09 0.29 -0.33 0.00 0.71 0.00 0.00 54.79 55.55 2bnr n ASP 155 Cb 0.51 -3.04 -0.16 0.00 -0.02 0.00 0.00 41.12 38.41 2bnr n ASP 155 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2bnr s VAL 156 N -2.46 2.22 -0.15 2.53 1.01 -1.19 -4.25 120.40 118.10 2bnr s VAL 156 Ca 0.00 -0.92 -0.03 0.00 0.00 0.00 0.00 61.98 61.03 2bnr s VAL 156 Cb 0.00 -1.91 -0.03 0.00 0.00 0.00 0.00 36.38 34.44 2bnr s VAL 156 CO 0.00 0.54 -0.05 -0.31 0.00 0.00 0.00 175.10 175.28 2bnr s TYR 157 N 0.90 3.00 -0.04 5.22 2.02 -0.38 -4.61 117.35 123.46 2bnr s TYR 157 Ca -0.05 -0.34 0.01 0.00 -0.37 0.00 0.00 57.07 56.32 2bnr s TYR 157 Cb -0.15 -1.95 0.02 0.00 -0.40 0.00 0.00 41.96 39.49 2bnr s TYR 157 CO -0.03 -0.06 -0.03 0.42 -1.57 0.00 0.00 175.55 174.28 2bnr s ILE 158 N 0.37 0.45 0.48 2.71 1.01 -1.26 -1.29 121.20 123.68 2bnr s ILE 158 Ca -0.05 -0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.54 2bnr s ILE 158 Cb -0.14 -0.50 0.01 0.00 0.01 0.00 0.00 42.46 41.83 2bnr s ILE 158 CO 0.03 0.21 0.71 0.42 0.00 0.00 0.00 174.94 176.31 2bnr s THR 159 N 0.99 3.65 0.69 2.92 -4.23 -0.18 -4.88 115.64 114.60 2bnr s THR 159 Ca -0.10 -0.51 -0.06 0.00 -1.18 0.00 0.00 61.69 59.84 2bnr s THR 159 Cb -0.14 -3.36 0.06 0.00 1.34 0.00 0.00 72.50 70.40 2bnr s THR 159 CO -0.01 -0.26 0.99 -0.62 -0.54 0.00 0.00 174.62 174.19 2bnr s ASP 160 N -4.27 4.85 0.24 3.99 2.15 -1.26 -4.33 116.67 118.03 2bnr s ASP 160 Ca 0.51 0.40 -0.31 0.00 0.43 0.00 0.00 52.55 53.58 2bnr s ASP 160 Cb -0.10 -1.07 -0.11 0.00 -0.30 0.00 0.00 42.92 41.35 2bnr s ASP 160 CO 0.38 -1.56 1.56 -1.59 -0.17 0.00 0.00 175.17 173.79 2bnr s LYS 161 N -5.20 4.18 -0.03 4.34 -2.85 -1.26 -4.56 119.74 114.36 2bnr s LYS 161 Ca 0.60 2.46 0.05 0.00 -1.00 0.00 0.00 55.97 58.08 2bnr s LYS 161 Cb -0.11 -3.08 -0.01 0.00 -2.06 0.00 0.00 37.83 32.57 2bnr s LYS 161 CO 0.44 -0.58 -0.19 0.00 0.10 0.00 0.00 175.35 175.12 2bnr s VAL 163 N -0.22 4.91 0.08 0.00 -7.23 -1.26 -1.68 120.40 115.00 2bnr s VAL 163 Ca 0.02 0.01 0.06 0.00 -1.81 0.00 0.00 61.98 60.26 2bnr s VAL 163 Cb -0.10 -3.23 -0.04 0.00 0.56 0.00 0.00 36.38 33.58 2bnr s VAL 163 CO 0.01 0.45 -0.10 -1.48 -0.31 0.00 0.00 175.10 173.66 2bnr s LEU 164 N 0.44 3.02 -0.15 1.32 0.05 0.17 -4.95 118.68 118.58 2bnr s LEU 164 Ca 0.04 -0.35 0.01 0.00 0.05 0.00 0.00 54.13 53.89 2bnr s LEU 164 Cb -0.12 -1.80 0.02 0.00 -2.05 0.00 0.00 46.19 42.23 2bnr s LEU 164 CO 0.00 0.20 -0.18 -0.62 -0.55 0.00 0.00 176.35 175.20 2bnr s ASP 165 N -2.00 2.91 -1.03 1.48 -1.08 -1.26 -1.46 116.67 114.23 2bnr s ASP 165 Ca 0.20 -0.56 -0.07 0.00 -0.52 0.00 0.00 52.55 51.60 2bnr s ASP 165 Cb -0.11 -1.33 0.26 0.00 -1.46 0.00 0.00 42.92 40.27 2bnr s ASP 165 CO 0.12 0.01 0.98 -0.04 0.52 0.00 0.00 175.17 176.76 2bnr s MET 166 N 1.18 3.87 0.19 4.34 -1.94 0.13 -4.95 119.30 122.12 2bnr s MET 166 Ca 0.00 -3.19 -0.17 0.00 -1.71 0.00 0.00 55.69 50.62 2bnr s MET 166 Cb -0.14 -4.36 0.16 0.00 2.01 0.00 0.00 34.83 32.51 2bnr s MET 166 CO -0.08 -1.25 1.62 0.00 -0.01 0.00 0.00 175.02 175.31 2bnr h ARG 167 N 6.53 -0.07 -0.04 2.03 2.47 -1.97 -0.94 114.38 122.39 2bnr h ARG 167 Ca 0.17 0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.90 2bnr h ARG 167 Cb 0.86 0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 29.20 2bnr h ARG 167 CO 0.95 -0.05 0.24 0.66 0.56 0.00 0.00 179.97 182.33 2bnr h SER 168 N -0.07 0.00 -0.02 7.04 4.64 -1.95 0.19 113.55 123.38 2bnr h SER 168 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 2bnr h SER 168 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2bnr h SER 168 CO -0.58 0.00 -0.13 0.23 -0.87 0.00 0.00 176.83 175.48 2bnr n MET 169 N -3.08 1.44 -3.78 4.77 2.81 -0.43 -4.98 117.12 113.86 2bnr n MET 169 Ca -0.01 -1.19 -0.23 0.00 -1.81 0.00 0.00 57.70 54.46 2bnr n MET 169 Cb 0.31 -1.28 0.02 0.00 -0.71 0.00 0.00 33.22 31.55 2bnr n MET 169 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2bnr n ASP 170 N 0.48 -1.15 -3.89 7.83 2.03 0.67 -4.97 116.55 117.55 2bnr n ASP 170 Ca 0.08 -0.87 -0.18 0.00 0.52 0.00 0.00 54.79 54.35 2bnr n ASP 170 Cb 0.37 -3.77 -0.16 0.00 -0.72 0.00 0.00 41.12 36.84 2bnr n ASP 170 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2bnr s PHE 171 N -3.72 0.51 0.18 -0.67 5.36 -1.04 -5.03 117.98 113.56 2bnr s PHE 171 Ca 0.05 -0.10 0.08 0.00 -0.96 0.00 0.00 56.93 55.99 2bnr s PHE 171 Cb -0.02 -0.46 -0.04 0.00 -0.34 0.00 0.00 43.02 42.15 2bnr s PHE 171 CO 0.83 -0.11 -0.16 -1.59 -1.46 0.00 0.00 175.22 172.74 2bnr s LYS 172 N 0.61 1.26 -0.07 10.12 -2.85 -1.26 0.18 119.74 127.72 2bnr s LYS 172 Ca -0.07 -1.47 -0.25 0.00 -1.00 0.00 0.00 55.97 53.18 2bnr s LYS 172 Cb -0.10 -1.15 0.05 0.00 -2.06 0.00 0.00 37.83 34.57 2bnr s LYS 172 CO -0.00 0.21 0.56 -1.54 0.10 0.00 0.00 175.35 174.68 2bnr s SER 173 N -2.95 -0.52 0.29 0.03 1.04 -0.54 -4.97 113.70 106.07 2bnr s SER 173 Ca 0.18 0.63 -0.02 0.00 0.48 0.00 0.00 55.95 57.23 2bnr s SER 173 Cb -0.03 0.60 -0.04 0.00 0.10 0.00 0.00 66.02 66.65 2bnr s SER 173 CO 0.06 -0.49 0.50 0.20 0.98 0.00 0.00 173.24 174.49 2bnr s ASN 174 N -0.95 6.37 -0.09 7.02 0.01 -1.26 -0.66 114.94 125.38 2bnr s ASN 174 Ca -0.10 0.52 -0.30 0.00 -0.71 0.00 0.00 52.86 52.27 2bnr s ASN 174 Cb -0.02 -2.06 0.11 0.00 0.41 0.00 0.00 41.25 39.69 2bnr s ASN 174 CO 0.07 -0.19 0.89 -0.94 -1.51 0.00 0.00 177.10 175.42 2bnr s SER 175 N -3.50 -0.43 0.02 -1.22 1.04 -0.67 -1.46 113.70 107.47 2bnr s SER 175 Ca 0.41 0.36 0.00 0.00 0.48 0.00 0.00 55.95 57.20 2bnr s SER 175 Cb -0.10 0.38 -0.02 0.00 0.10 0.00 0.00 66.02 66.38 2bnr s SER 175 CO 0.32 -0.48 -0.03 0.00 0.98 0.00 0.00 173.24 174.02 2bnr s ALA 176 N -1.69 0.15 0.03 5.32 0.00 -0.16 -0.67 121.76 124.74 2bnr s ALA 176 Ca -0.02 -0.60 0.09 0.00 0.00 0.00 0.00 51.96 51.43 2bnr s ALA 176 Cb -0.01 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.23 2bnr s ALA 176 CO 0.00 -0.15 -0.25 0.08 0.00 0.00 0.00 175.76 175.44 2bnr s VAL 177 N -1.45 2.03 0.00 0.00 1.01 -1.26 -1.40 120.40 119.33 2bnr s VAL 177 Ca -0.16 -1.30 0.01 0.00 0.00 0.00 0.00 61.98 60.54 2bnr s VAL 177 Cb -0.10 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.54 2bnr s VAL 177 CO -0.01 0.38 -0.04 0.00 0.00 0.00 0.00 175.10 175.42 2bnr s ALA 178 N -0.76 0.36 0.18 5.51 0.00 -0.40 -1.01 121.76 125.64 2bnr s ALA 178 Ca 0.11 -0.24 -0.18 0.00 0.00 0.00 0.00 51.96 51.65 2bnr s ALA 178 Cb -0.10 -0.07 0.03 0.00 0.00 0.00 0.00 23.12 22.98 2bnr s ALA 178 CO 0.01 0.07 0.51 1.67 0.00 0.00 0.00 175.76 178.03 2bnr s TRP 179 N -0.23 -0.18 -0.15 0.00 -2.14 -0.41 -0.07 118.94 115.76 2bnr s TRP 179 Ca 0.00 -0.14 -0.34 0.00 2.66 0.00 0.00 56.10 58.29 2bnr s TRP 179 Cb -0.02 0.39 0.13 0.00 -3.10 0.00 0.00 33.47 30.87 2bnr s TRP 179 CO -0.00 -0.88 1.13 0.45 -2.66 0.00 0.00 176.95 174.99 2bnr s SER 180 N -2.85 -0.19 0.00 -2.66 0.15 -1.26 -1.25 113.70 105.64 2bnr s SER 180 Ca 0.07 0.00 0.23 0.00 0.70 0.00 0.00 55.95 56.96 2bnr s SER 180 Cb -0.01 0.20 0.10 0.00 -1.71 0.00 0.00 66.02 64.61 2bnr s SER 180 CO -0.05 -0.32 1.17 0.59 1.20 0.00 0.00 173.24 175.82 2bnr n ASN 181 N -0.12 2.13 -4.74 5.45 4.13 -1.26 -4.95 115.26 115.91 2bnr n ASN 181 Ca -0.02 -1.56 -0.41 0.00 1.68 0.00 0.00 54.58 54.27 2bnr n ASN 181 Cb 0.59 0.36 -0.02 0.00 -1.54 0.00 0.00 39.78 39.17 2bnr n ASN 181 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2bnr s LYS 182 N -2.38 4.27 0.40 3.52 1.02 -1.26 -4.91 119.74 120.39 2bnr s LYS 182 Ca 0.21 2.30 0.08 0.00 0.02 0.00 0.00 55.97 58.58 2bnr s LYS 182 Cb 0.19 -3.11 0.84 0.00 -0.52 0.00 0.00 37.83 35.22 2bnr s LYS 182 CO 0.52 -0.42 2.01 0.66 -0.92 0.00 0.00 175.35 177.20 2bnr h SER 183 N 5.04 0.39 0.74 2.83 4.64 -2.02 -2.67 113.55 122.50 2bnr h SER 183 Ca -0.46 -0.03 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2bnr h SER 183 Cb 1.22 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2bnr h SER 183 CO 0.78 0.36 -0.09 -0.90 -0.87 0.00 0.00 176.83 176.11 2bnr n ASP 184 N -4.41 0.15 -4.73 4.97 5.75 -1.26 -4.86 116.55 112.16 2bnr n ASP 184 Ca 0.02 0.09 -0.41 0.00 -0.01 0.00 0.00 54.79 54.47 2bnr n ASP 184 Cb 0.13 -0.28 -0.03 0.00 -1.03 0.00 0.00 41.12 39.91 2bnr n ASP 184 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2bnr s PHE 185 N -2.83 3.39 -0.03 2.11 2.19 -1.01 -4.96 117.98 116.84 2bnr s PHE 185 Ca 0.19 1.34 -0.23 0.00 0.33 0.00 0.00 56.93 58.56 2bnr s PHE 185 Cb 0.19 -3.47 0.05 0.00 -1.31 0.00 0.00 43.02 38.48 2bnr s PHE 185 CO 0.53 -1.40 0.49 0.00 1.83 0.00 0.00 175.22 176.68 2bnr s ALA 186 N 0.21 -1.27 0.54 11.12 0.00 -1.26 -5.00 121.76 126.10 2bnr s ALA 186 Ca 0.55 0.81 0.27 0.00 0.00 0.00 0.00 51.96 53.59 2bnr s ALA 186 Cb -0.33 0.05 1.44 0.00 0.00 0.00 0.00 23.12 24.28 2bnr s ALA 186 CO 0.35 -0.32 1.98 0.00 0.00 0.00 0.00 175.76 177.77 2bnr h ALA 188 N 1.68 1.47 -0.01 0.00 0.00 -1.96 -3.01 119.26 117.43 2bnr h ALA 188 Ca 0.26 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2bnr h ALA 188 Cb 1.09 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2bnr h ALA 188 CO -0.00 0.46 -0.16 0.27 0.00 0.00 0.00 179.25 179.82 2bnr n ASN 189 N -4.40 1.87 -0.15 0.00 0.23 0.53 -4.74 115.26 108.60 2bnr n ASN 189 Ca 0.06 -1.44 -0.04 0.00 -0.53 0.00 0.00 54.58 52.64 2bnr n ASN 189 Cb 0.08 0.24 0.03 0.00 -2.08 0.00 0.00 39.78 38.05 2bnr n ASN 189 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2bnr h ALA 190 N 2.73 0.19 -0.92 -2.53 0.00 -0.62 -2.42 119.26 115.69 2bnr h ALA 190 Ca 0.00 0.17 -0.53 0.00 0.00 0.00 0.00 54.91 54.55 2bnr h ALA 190 Cb 0.56 0.49 -0.29 0.00 0.00 0.00 0.00 17.79 18.55 2bnr h ALA 190 CO 0.00 -0.52 0.59 1.19 0.00 0.00 0.00 179.25 180.50 2bnr n PHE 191 N -5.39 2.89 0.25 0.00 3.01 -1.26 -4.63 117.46 112.33 2bnr n PHE 191 Ca 0.04 -2.18 0.09 0.00 1.01 0.00 0.00 57.45 56.41 2bnr n PHE 191 Cb 0.30 -1.03 0.65 0.00 -0.01 0.00 0.00 39.48 39.39 2bnr n PHE 191 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 2bnr h ASN 192 N 1.33 0.00 -0.06 4.37 -0.26 -1.75 -1.86 115.58 117.35 2bnr h ASN 192 Ca 0.58 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.32 2bnr h ASN 192 Cb 2.10 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 39.36 2bnr h ASN 192 CO 1.16 0.00 0.00 -3.20 -1.06 0.00 0.00 177.43 174.33 2bnr n ASN 193 N -4.51 0.52 -4.58 5.81 5.15 -1.26 -4.81 115.26 111.57 2bnr n ASN 193 Ca -0.02 -1.64 -0.25 0.00 -0.60 0.00 0.00 54.58 52.06 2bnr n ASN 193 Cb 0.11 -0.04 -0.09 0.00 -0.53 0.00 0.00 39.78 39.23 2bnr n ASN 193 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2bnr s SER 194 N -1.42 4.24 -0.36 1.20 0.01 -0.70 -4.65 113.70 112.02 2bnr s SER 194 Ca 0.23 -0.67 -0.18 0.00 1.31 0.00 0.00 55.95 56.64 2bnr s SER 194 Cb 0.11 -0.70 0.00 0.00 0.21 0.00 0.00 66.02 65.65 2bnr s SER 194 CO 0.18 0.06 0.50 -0.51 0.41 0.00 0.00 173.24 173.87 2bnr s ILE 195 N -2.04 5.03 0.16 1.44 2.07 -1.26 -5.03 121.20 121.57 2bnr s ILE 195 Ca 0.28 0.21 0.08 0.00 -1.41 0.00 0.00 60.65 59.81 2bnr s ILE 195 Cb -0.07 -3.97 -0.04 0.00 0.13 0.00 0.00 42.46 38.50 2bnr s ILE 195 CO 0.17 -0.25 -0.04 -0.63 -1.91 0.00 0.00 174.94 172.27 2bnr s ILE 196 N 2.35 3.53 0.24 2.00 1.01 -1.26 -4.47 121.20 124.59 2bnr s ILE 196 Ca 0.17 -1.45 -0.31 0.00 0.00 0.00 0.00 60.65 59.07 2bnr s ILE 196 Cb -0.16 -2.74 -0.14 0.00 0.01 0.00 0.00 42.46 39.43 2bnr s ILE 196 CO 0.14 -0.07 1.29 -2.65 0.00 0.00 0.00 174.94 173.65 2bnr n PRO 197 N 0.09 1.75 -0.26 2.79 -0.02 -1.26 -4.86 135.00 133.22 2bnr n PRO 197 Ca -0.11 0.62 0.13 0.00 -2.02 0.00 0.00 63.50 62.12 2bnr n PRO 197 Cb 0.55 -2.19 0.40 0.00 -0.02 0.00 0.00 33.50 32.23 2bnr n PRO 197 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2bnr h GLU 198 N 3.56 0.63 -0.98 -0.52 4.11 -2.02 -2.12 114.58 117.24 2bnr h GLU 198 Ca -0.44 -0.04 -0.57 0.00 0.07 0.00 0.00 59.36 58.38 2bnr h GLU 198 Cb 1.30 -0.14 -0.30 0.00 0.50 0.00 0.00 28.75 30.11 2bnr h GLU 198 CO 0.71 0.42 0.71 -0.25 0.07 0.00 0.00 179.01 180.67 2bnr n ASP 199 N -4.55 5.17 -4.74 3.06 8.00 -1.26 -4.98 116.55 117.24 2bnr n ASP 199 Ca 0.17 -3.68 -0.42 0.00 0.71 0.00 0.00 54.79 51.57 2bnr n ASP 199 Cb 0.48 -0.88 -0.02 0.00 -0.02 0.00 0.00 41.12 40.68 2bnr n ASP 199 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2bnr s THR 200 N -3.86 2.42 -0.09 -3.53 2.01 -0.80 -4.88 115.64 106.91 2bnr s THR 200 Ca 0.60 0.34 -0.30 0.00 0.31 0.00 0.00 61.69 62.64 2bnr s THR 200 Cb 0.49 -3.22 -0.03 0.00 0.01 0.00 0.00 72.50 69.76 2bnr s THR 200 CO 0.06 0.05 1.19 0.12 -0.69 0.00 0.00 174.62 175.35 2bnr s PHE 201 N 0.21 3.16 -0.49 4.92 5.36 0.61 -4.92 117.98 126.83 2bnr s PHE 201 Ca 0.63 1.22 0.03 0.00 -0.96 0.00 0.00 56.93 57.85 2bnr s PHE 201 Cb -0.45 -3.41 0.13 0.00 -0.34 0.00 0.00 43.02 38.95 2bnr s PHE 201 CO 0.43 -1.27 0.25 -0.06 -1.46 0.00 0.00 175.22 173.11 2bnr s PHE 202 N 2.47 2.76 0.54 10.12 0.08 -1.26 -1.65 117.98 131.04 2bnr s PHE 202 Ca 0.55 -2.90 -0.20 0.00 0.12 0.00 0.00 56.93 54.49 2bnr s PHE 202 Cb -0.23 -2.49 -0.05 0.00 -0.57 0.00 0.00 43.02 39.67 2bnr s PHE 202 CO 0.20 -0.76 1.19 -1.25 -0.10 0.00 0.00 175.22 174.49 2bnr s PRO 203 N -0.03 3.30 0.00 0.24 0.04 -1.26 -5.08 135.00 132.20 2bnr s PRO 203 Ca 0.17 1.79 0.07 0.00 0.04 0.00 0.00 61.00 63.07 2bnr s PRO 203 Cb -0.25 -2.10 0.05 0.00 0.04 0.00 0.00 34.50 32.24 2bnr s PRO 203 CO -0.00 -0.93 0.71 -1.13 0.04 0.00 0.00 177.00 175.69