#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bc3 h GLU 14 N 0.00 -0.06 -0.23 -1.24 4.81 -1.92 0.25 114.58 116.20 2bc3 h GLU 14 Ca 0.00 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.15 2bc3 h GLU 14 Cb 0.00 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 2bc3 h GLU 14 CO 0.00 -0.04 -0.23 0.00 -0.73 0.00 0.00 179.01 178.02 2bc3 h ALA 15 N 1.13 1.18 0.01 2.92 0.00 -1.93 -2.30 119.26 120.28 2bc3 h ALA 15 Ca 0.11 -0.32 -0.20 0.00 0.00 0.00 0.00 54.91 54.51 2bc3 h ALA 15 Cb 0.23 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2bc3 h ALA 15 CO -0.26 0.52 -0.89 0.78 0.00 0.00 0.00 179.25 179.41 2bc3 h GLY 16 N 0.99 0.19 0.98 0.00 0.00 -1.85 -3.33 103.07 100.06 2bc3 h GLY 16 Ca 0.06 -0.35 -0.35 0.00 0.00 0.00 0.00 47.33 46.70 2bc3 h GLY 16 CO 0.04 0.31 -1.67 -2.22 0.00 0.00 0.00 176.54 173.00 2bc3 h ILE 17 N 0.09 1.03 -2.73 2.60 2.04 -0.51 -3.46 117.51 116.57 2bc3 h ILE 17 Ca -0.04 -2.55 -0.57 0.00 1.00 0.00 0.00 64.86 62.70 2bc3 h ILE 17 Cb 1.52 2.84 0.08 0.00 -0.74 0.00 0.00 36.82 40.52 2bc3 h ILE 17 CO 0.13 0.84 0.75 0.41 0.00 0.00 0.00 178.15 180.29 2bc3 n THR 18 N -3.64 0.67 0.00 -0.27 -1.04 -0.87 -4.76 114.28 104.36 2bc3 n THR 18 Ca -0.23 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 61.61 2bc3 n THR 18 Cb 1.08 -1.65 0.00 0.00 -1.82 0.00 0.00 70.33 67.93 2bc3 n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2bc3 n GLY 19 N 2.60 0.84 3.66 3.41 0.00 0.24 -4.97 105.19 110.97 2bc3 n GLY 19 Ca 0.12 -2.00 -0.35 0.00 0.00 0.00 0.00 46.02 43.79 2bc3 n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bc3 s THR 20 N -1.95 4.79 0.06 2.61 2.01 -1.26 -1.21 115.64 120.69 2bc3 s THR 20 Ca 0.00 -0.04 0.08 0.00 0.31 0.00 0.00 61.69 62.04 2bc3 s THR 20 Cb 0.00 -3.14 -0.03 0.00 0.01 0.00 0.00 72.50 69.35 2bc3 s THR 20 CO 0.00 0.49 -0.22 0.26 -0.69 0.00 0.00 174.62 174.46 2bc3 s TRP 21 N 0.08 1.93 -0.00 4.92 0.52 0.92 -4.62 118.94 122.69 2bc3 s TRP 21 Ca 0.05 -0.39 0.05 0.00 0.02 0.00 0.00 56.10 55.83 2bc3 s TRP 21 Cb -0.12 -1.13 -0.01 0.00 -1.15 0.00 0.00 33.47 31.06 2bc3 s TRP 21 CO 0.01 0.13 -0.15 0.71 0.02 0.00 0.00 176.95 177.67 2bc3 s TYR 22 N -0.88 1.37 0.53 -1.98 2.02 -0.38 -0.63 117.35 117.40 2bc3 s TYR 22 Ca 0.08 -0.28 0.01 0.00 -0.37 0.00 0.00 57.07 56.52 2bc3 s TYR 22 Cb -0.09 -0.87 0.10 0.00 -0.40 0.00 0.00 41.96 40.70 2bc3 s TYR 22 CO 0.03 -0.01 0.73 0.27 -1.57 0.00 0.00 175.55 174.99 2bc3 n ASN 23 N 2.54 1.12 -0.04 2.29 0.23 -0.43 -1.40 115.26 119.56 2bc3 n ASN 23 Ca -0.15 -1.91 0.15 0.00 -0.53 0.00 0.00 54.58 52.14 2bc3 n ASN 23 Cb 0.55 -0.46 0.77 0.00 -2.08 0.00 0.00 39.78 38.56 2bc3 n ASN 23 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2bc3 n GLN 24 N -2.31 0.68 -0.06 -3.83 3.00 -1.26 -1.20 117.38 112.40 2bc3 n GLN 24 Ca 0.12 -0.08 0.12 0.00 -0.01 0.00 0.00 57.00 57.15 2bc3 n GLN 24 Cb 0.45 -1.50 0.14 0.00 0.00 0.00 0.00 30.24 29.33 2bc3 n GLN 24 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 2bc3 n LEU 25 N -1.09 3.13 0.00 1.08 4.77 -1.26 -3.88 117.00 119.75 2bc3 n LEU 25 Ca 0.17 -1.14 0.00 0.00 -0.03 0.00 0.00 56.01 55.01 2bc3 n LEU 25 Cb 0.22 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2bc3 n LEU 25 CO 0.22 0.57 0.00 0.61 -1.33 0.00 0.00 177.39 177.46 2bc3 n GLY 26 N 1.40 1.34 3.60 -0.72 0.00 -0.35 -5.01 105.19 105.46 2bc3 n GLY 26 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 2bc3 n GLY 26 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2bc3 n SER 27 N 0.00 0.85 -4.00 1.61 7.64 -1.26 -4.72 113.62 113.74 2bc3 n SER 27 Ca 0.00 0.93 -0.21 0.00 1.01 0.00 0.00 58.87 60.60 2bc3 n SER 27 Cb 0.00 -1.35 -0.16 0.00 -1.01 0.00 0.00 64.21 61.70 2bc3 n SER 27 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2bc3 s THR 28 N -1.41 0.81 0.06 0.44 2.01 -0.27 -1.32 115.64 115.96 2bc3 s THR 28 Ca 0.68 -0.37 0.06 0.00 0.31 0.00 0.00 61.69 62.37 2bc3 s THR 28 Cb -0.50 -0.72 -0.03 0.00 0.01 0.00 0.00 72.50 71.27 2bc3 s THR 28 CO 0.53 0.25 -0.16 0.72 -0.69 0.00 0.00 174.62 175.28 2bc3 s PHE 29 N 0.23 1.39 -0.19 4.92 -0.12 0.20 0.48 117.98 124.89 2bc3 s PHE 29 Ca -0.04 -0.39 -0.01 0.00 -0.05 0.00 0.00 56.93 56.44 2bc3 s PHE 29 Cb -0.09 -0.81 0.00 0.00 -0.63 0.00 0.00 43.02 41.50 2bc3 s PHE 29 CO 0.01 0.07 -0.13 0.42 -0.05 0.00 0.00 175.22 175.54 2bc3 s ILE 30 N -0.99 2.73 0.02 -4.49 1.01 -0.09 -0.06 121.20 119.34 2bc3 s ILE 30 Ca 0.02 -0.72 0.03 0.00 0.00 0.00 0.00 60.65 59.98 2bc3 s ILE 30 Cb -0.09 -2.19 -0.02 0.00 0.01 0.00 0.00 42.46 40.17 2bc3 s ILE 30 CO 0.02 0.49 -0.09 0.54 0.00 0.00 0.00 174.94 175.90 2bc3 s VAL 31 N 1.24 0.64 -0.16 2.92 0.11 -0.35 -0.98 120.40 123.82 2bc3 s VAL 31 Ca 0.03 -0.72 -0.03 0.00 -2.93 0.00 0.00 61.98 58.33 2bc3 s VAL 31 Cb -0.14 -0.61 -0.02 0.00 -1.53 0.00 0.00 36.38 34.08 2bc3 s VAL 31 CO -0.06 -0.08 -0.07 -0.89 -3.33 0.00 0.00 175.10 170.67 2bc3 s THR 32 N -0.75 3.51 -0.27 5.04 2.01 0.12 -0.59 115.64 124.71 2bc3 s THR 32 Ca -0.02 -0.48 -0.13 0.00 0.31 0.00 0.00 61.69 61.37 2bc3 s THR 32 Cb -0.06 -2.54 -0.04 0.00 0.01 0.00 0.00 72.50 69.87 2bc3 s THR 32 CO 0.00 0.49 0.27 0.00 -0.69 0.00 0.00 174.62 174.68 2bc3 s ALA 33 N 0.62 3.56 0.45 7.40 0.00 -1.26 -1.39 121.76 131.14 2bc3 s ALA 33 Ca -0.04 -0.93 -0.01 0.00 0.00 0.00 0.00 51.96 50.98 2bc3 s ALA 33 Cb -0.15 -2.55 -0.01 0.00 0.00 0.00 0.00 23.12 20.41 2bc3 s ALA 33 CO 0.03 -0.52 0.70 0.20 0.00 0.00 0.00 175.76 176.16 2bc3 s GLY 34 N 1.57 1.51 0.46 0.00 0.00 0.40 -4.86 107.32 106.40 2bc3 s GLY 34 Ca 0.11 -0.88 0.26 0.00 0.00 0.00 0.00 44.72 44.21 2bc3 s GLY 34 CO 0.10 -0.72 1.79 0.00 0.00 0.00 0.00 173.10 174.27 2bc3 h ALA 35 N 0.37 0.97 -0.07 3.20 0.00 -1.99 -2.74 119.26 119.00 2bc3 h ALA 35 Ca -0.47 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2bc3 h ALA 35 Cb 1.24 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2bc3 h ALA 35 CO 0.59 0.16 0.00 -0.40 0.00 0.00 0.00 179.25 179.61 2bc3 n ASP 36 N -3.21 0.90 0.00 0.00 5.75 -1.26 -4.90 116.55 113.83 2bc3 n ASP 36 Ca 0.01 -1.50 0.00 0.00 -0.01 0.00 0.00 54.79 53.30 2bc3 n ASP 36 Cb 0.44 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 2bc3 n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bc3 n GLY 37 N 1.01 0.64 3.80 6.12 0.00 -1.03 -4.98 105.19 110.75 2bc3 n GLY 37 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 2bc3 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bc3 s ALA 38 N -2.53 3.13 -0.12 4.61 0.00 -1.26 -1.15 121.76 124.45 2bc3 s ALA 38 Ca 0.00 0.47 0.03 0.00 0.00 0.00 0.00 51.96 52.46 2bc3 s ALA 38 Cb 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.95 2bc3 s ALA 38 CO 0.00 0.14 -0.21 -0.51 0.00 0.00 0.00 175.76 175.18 2bc3 s LEU 39 N -2.57 2.20 -0.00 0.00 1.43 -0.35 -0.46 118.68 118.93 2bc3 s LEU 39 Ca 0.56 -0.54 0.00 0.00 -1.03 0.00 0.00 54.13 53.12 2bc3 s LEU 39 Cb -0.14 -1.46 0.00 0.00 0.03 0.00 0.00 46.19 44.62 2bc3 s LEU 39 CO 0.19 0.13 -0.01 -0.89 0.23 0.00 0.00 176.35 176.00 2bc3 s THR 40 N 0.54 0.07 -2.11 5.49 2.01 -0.48 -0.55 115.64 120.61 2bc3 s THR 40 Ca -0.13 -0.03 0.00 0.00 0.31 0.00 0.00 61.69 61.84 2bc3 s THR 40 Cb -0.17 -0.07 0.00 0.00 0.01 0.00 0.00 72.50 72.27 2bc3 s THR 40 CO 0.04 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.61 2bc3 n GLY 41 N 3.12 -0.67 3.07 4.40 0.00 -0.61 0.12 105.19 114.62 2bc3 n GLY 41 Ca -0.13 -0.46 -0.10 0.00 0.00 0.00 0.00 46.02 45.33 2bc3 n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bc3 s THR 42 N -4.00 0.36 -0.09 2.61 -4.23 -0.15 -1.03 115.64 109.11 2bc3 s THR 42 Ca 0.00 -1.37 0.03 0.00 -1.18 0.00 0.00 61.69 59.17 2bc3 s THR 42 Cb 0.00 -0.93 -0.01 0.00 1.34 0.00 0.00 72.50 72.89 2bc3 s THR 42 CO 0.00 -0.66 -0.20 -0.47 -0.54 0.00 0.00 174.62 172.75 2bc3 s TYR 43 N -2.46 2.62 0.04 3.99 6.14 0.53 -0.91 117.35 127.30 2bc3 s TYR 43 Ca -0.03 -0.71 0.03 0.00 0.64 0.00 0.00 57.07 56.99 2bc3 s TYR 43 Cb -0.03 -1.71 -0.02 0.00 0.42 0.00 0.00 41.96 40.62 2bc3 s TYR 43 CO -0.04 -0.22 -0.08 -1.83 0.64 0.00 0.00 175.55 174.02 2bc3 s GLU 44 N 0.05 0.56 0.05 4.97 -1.05 0.18 -0.59 118.70 122.87 2bc3 s GLU 44 Ca -0.08 -0.75 -0.32 0.00 -0.15 0.00 0.00 54.97 53.67 2bc3 s GLU 44 Cb -0.15 -0.36 -0.18 0.00 -0.44 0.00 0.00 34.13 32.99 2bc3 s GLU 44 CO 0.05 0.07 1.51 1.03 0.95 0.00 0.00 175.26 178.87 2bc3 h SER 45 N 4.55 -0.78 0.00 0.83 0.87 -1.76 -0.70 113.55 116.57 2bc3 h SER 45 Ca -0.36 0.01 -0.13 0.00 -1.23 0.00 0.00 61.79 60.07 2bc3 h SER 45 Cb 1.20 0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 63.34 2bc3 h SER 45 CO 0.41 -0.51 -1.51 0.61 -0.53 0.00 0.00 176.83 175.30 2bc3 n GLY 48 N -1.27 -0.13 3.97 5.77 0.00 -1.26 -4.61 105.19 107.66 2bc3 n GLY 48 Ca -0.13 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.62 2bc3 n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bc3 s ASN 49 N -4.84 5.54 0.44 1.61 6.03 -1.26 -4.98 114.94 117.48 2bc3 s ASN 49 Ca -0.12 0.02 0.10 0.00 -1.03 0.00 0.00 52.86 51.84 2bc3 s ASN 49 Cb 0.03 -1.08 0.99 0.00 -3.03 0.00 0.00 41.25 38.15 2bc3 s ASN 49 CO 0.21 -0.91 2.07 0.00 -2.03 0.00 0.00 177.10 176.43 2bc3 h ALA 50 N 0.30 1.83 0.00 3.54 0.00 -1.99 -2.15 119.26 120.79 2bc3 h ALA 50 Ca -0.43 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2bc3 h ALA 50 Cb 1.28 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2bc3 h ALA 50 CO 0.53 0.13 0.00 0.93 0.00 0.00 0.00 179.25 180.84 2bc3 h GLU 51 N 0.40 0.00 -0.47 0.00 3.07 -1.94 -1.81 114.58 113.83 2bc3 h GLU 51 Ca 0.14 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.00 2bc3 h GLU 51 Cb 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.97 2bc3 h GLU 51 CO -0.03 0.00 0.00 0.43 -1.40 0.00 0.00 179.01 178.01 2bc3 n SER 52 N -2.98 4.56 -4.58 1.42 7.64 -0.81 -4.53 113.62 114.33 2bc3 n SER 52 Ca -0.00 -2.72 -0.34 0.00 1.01 0.00 0.00 58.87 56.81 2bc3 n SER 52 Cb 0.22 -0.56 -0.11 0.00 -1.01 0.00 0.00 64.21 62.76 2bc3 n SER 52 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2bc3 s ARG 53 N -2.33 3.34 0.04 1.43 3.52 -0.68 -2.41 118.95 121.85 2bc3 s ARG 53 Ca 0.46 -0.47 0.03 0.00 -0.13 0.00 0.00 55.73 55.62 2bc3 s ARG 53 Cb 0.34 -2.85 -0.02 0.00 -1.56 0.00 0.00 34.95 30.85 2bc3 s ARG 53 CO 0.16 0.46 -0.09 0.71 -0.81 0.00 0.00 175.30 175.73 2bc3 s TYR 54 N -0.22 0.74 0.27 5.12 2.02 0.24 -4.78 117.35 120.74 2bc3 s TYR 54 Ca 0.05 -0.42 -0.30 0.00 -0.37 0.00 0.00 57.07 56.03 2bc3 s TYR 54 Cb -0.13 -0.44 -0.10 0.00 -0.40 0.00 0.00 41.96 40.90 2bc3 s TYR 54 CO 0.02 -0.05 1.35 0.08 -1.57 0.00 0.00 175.55 175.38 2bc3 s VAL 55 N -1.12 2.85 0.10 0.71 1.01 -1.26 -0.35 120.40 122.34 2bc3 s VAL 55 Ca -0.06 0.76 0.09 0.00 0.00 0.00 0.00 61.98 62.77 2bc3 s VAL 55 Cb -0.09 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.78 2bc3 s VAL 55 CO 0.01 0.14 -0.24 -1.48 0.00 0.00 0.00 175.10 173.53 2bc3 s LEU 56 N -0.84 2.28 -0.01 3.92 0.05 -0.20 -4.33 118.68 119.55 2bc3 s LEU 56 Ca 0.54 -0.69 -0.08 0.00 0.05 0.00 0.00 54.13 53.96 2bc3 s LEU 56 Cb -0.39 -1.08 0.00 0.00 -2.05 0.00 0.00 46.19 42.67 2bc3 s LEU 56 CO 0.45 0.14 0.16 0.28 -0.55 0.00 0.00 176.35 176.83 2bc3 s THR 57 N -1.04 0.07 0.00 5.48 -1.32 -0.90 -1.57 115.64 116.36 2bc3 s THR 57 Ca 0.10 -0.59 0.00 0.00 -1.21 0.00 0.00 61.69 59.99 2bc3 s THR 57 Cb -0.10 -0.42 0.00 0.00 -1.51 0.00 0.00 72.50 70.47 2bc3 s THR 57 CO 0.05 -0.32 0.00 0.61 -2.21 0.00 0.00 174.62 172.74 2bc3 n GLY 58 N 1.63 2.23 3.00 6.08 0.00 0.29 -1.37 105.19 117.04 2bc3 n GLY 58 Ca -0.21 -0.73 -0.09 0.00 0.00 0.00 0.00 46.02 44.98 2bc3 n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bc3 s ARG 59 N 0.73 0.35 0.05 1.61 1.81 -0.67 -1.21 118.95 121.61 2bc3 s ARG 59 Ca 0.00 -0.60 -0.01 0.00 -1.72 0.00 0.00 55.73 53.39 2bc3 s ARG 59 Cb 0.00 0.13 -0.03 0.00 -0.45 0.00 0.00 34.95 34.59 2bc3 s ARG 59 CO 0.00 -0.06 -0.01 1.52 -0.68 0.00 0.00 175.30 176.06 2bc3 s TYR 60 N -1.54 0.45 -0.49 -0.53 1.13 -0.30 -1.08 117.35 114.99 2bc3 s TYR 60 Ca -0.15 -0.93 -0.28 0.00 -1.41 0.00 0.00 57.07 54.30 2bc3 s TYR 60 Cb -0.09 -0.33 0.01 0.00 -1.10 0.00 0.00 41.96 40.45 2bc3 s TYR 60 CO -0.01 -0.35 1.44 0.34 -2.51 0.00 0.00 175.55 174.46 2bc3 s ASP 61 N -2.63 6.18 0.00 -0.18 2.15 -0.37 -4.57 116.67 117.24 2bc3 s ASP 61 Ca 0.02 0.57 0.26 0.00 0.43 0.00 0.00 52.55 53.84 2bc3 s ASP 61 Cb 0.04 -2.54 1.56 0.00 -0.30 0.00 0.00 42.92 41.68 2bc3 s ASP 61 CO -0.08 -1.61 2.00 -1.54 -0.17 0.00 0.00 175.17 173.77 2bc3 n SER 62 N 9.39 0.05 -3.00 -0.34 3.41 -1.26 -4.13 113.62 117.73 2bc3 n SER 62 Ca 0.15 -1.19 -0.16 0.00 -0.26 0.00 0.00 58.87 57.41 2bc3 n SER 62 Cb 0.49 -0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.41 2bc3 n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bc3 n ALA 63 N -0.88 0.50 -1.75 7.33 0.00 -1.26 -4.91 120.51 119.55 2bc3 n ALA 63 Ca 0.20 -2.30 -0.29 0.00 0.00 0.00 0.00 53.44 51.04 2bc3 n ALA 63 Cb 0.10 -1.09 0.16 0.00 0.00 0.00 0.00 19.45 18.62 2bc3 n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2bc3 s PRO 64 N -0.02 0.79 0.62 0.00 0.04 -1.26 -4.97 135.00 130.20 2bc3 s PRO 64 Ca 0.33 -0.13 -0.18 0.00 0.04 0.00 0.00 61.00 61.06 2bc3 s PRO 64 Cb 0.14 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 32.83 2bc3 s PRO 64 CO -0.16 -2.36 1.24 0.00 0.04 0.00 0.00 177.00 175.75 2bc3 s ALA 65 N -3.60 2.46 -0.59 8.56 0.00 -1.26 -4.92 121.76 122.42 2bc3 s ALA 65 Ca 0.69 1.07 -0.00 0.00 0.00 0.00 0.00 51.96 53.72 2bc3 s ALA 65 Cb -0.08 -3.49 0.49 0.00 0.00 0.00 0.00 23.12 20.05 2bc3 s ALA 65 CO 0.53 -1.36 2.00 0.25 0.00 0.00 0.00 175.76 177.17 2bc3 n THR 66 N -1.78 3.45 -0.97 0.00 -2.24 -1.26 -4.55 114.28 106.94 2bc3 n THR 66 Ca 0.14 -2.56 0.09 0.00 -2.27 0.00 0.00 64.05 59.45 2bc3 n THR 66 Cb 0.49 -0.98 0.12 0.00 -2.10 0.00 0.00 70.33 67.86 2bc3 n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2bc3 n ASP 67 N -0.90 2.28 0.00 3.42 5.75 -1.26 -4.95 116.55 120.89 2bc3 n ASP 67 Ca 0.60 -2.96 0.00 0.00 -0.01 0.00 0.00 54.79 52.42 2bc3 n ASP 67 Cb 0.93 -0.38 0.00 0.00 -1.03 0.00 0.00 41.12 40.64 2bc3 n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bc3 n GLY 68 N -1.32 0.73 3.82 6.12 0.00 -1.26 -5.06 105.19 108.22 2bc3 n GLY 68 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 2bc3 n GLY 68 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bc3 s SER 69 N -2.71 5.75 1.12 1.61 1.04 -1.26 -5.05 113.70 114.20 2bc3 s SER 69 Ca 0.00 1.64 -0.17 0.00 0.48 0.00 0.00 55.95 57.90 2bc3 s SER 69 Cb 0.00 -2.50 0.25 0.00 0.10 0.00 0.00 66.02 63.87 2bc3 s SER 69 CO 0.00 -1.19 1.11 -0.83 0.98 0.00 0.00 173.24 173.31 2bc3 s GLY 70 N -3.50 1.58 -0.38 7.32 0.00 -1.26 -4.83 107.32 106.25 2bc3 s GLY 70 Ca 0.59 -0.77 -0.08 0.00 0.00 0.00 0.00 44.72 44.46 2bc3 s GLY 70 CO 0.47 0.02 0.20 -1.59 0.00 0.00 0.00 173.10 172.20 2bc3 s THR 71 N -3.03 4.11 0.37 0.90 2.01 0.02 -4.74 115.64 115.28 2bc3 s THR 71 Ca 0.69 -1.24 -0.28 0.00 0.31 0.00 0.00 61.69 61.18 2bc3 s THR 71 Cb -0.13 -3.42 -0.10 0.00 0.01 0.00 0.00 72.50 68.86 2bc3 s THR 71 CO 0.56 -0.36 1.41 0.00 -0.69 0.00 0.00 174.62 175.55 2bc3 s ALA 72 N 1.43 3.49 0.23 7.40 0.00 -1.26 -0.48 121.76 132.57 2bc3 s ALA 72 Ca 0.01 1.44 -0.19 0.00 0.00 0.00 0.00 51.96 53.22 2bc3 s ALA 72 Cb -0.21 -3.56 0.03 0.00 0.00 0.00 0.00 23.12 19.38 2bc3 s ALA 72 CO 0.03 -0.93 0.62 -0.48 0.00 0.00 0.00 175.76 175.00 2bc3 s LEU 73 N -2.11 -0.15 0.12 0.00 2.34 -0.85 -1.24 118.68 116.80 2bc3 s LEU 73 Ca 0.53 -0.50 -0.19 0.00 0.06 0.00 0.00 54.13 54.02 2bc3 s LEU 73 Cb -0.43 2.44 0.05 0.00 -0.56 0.00 0.00 46.19 47.68 2bc3 s LEU 73 CO 0.58 -1.18 0.48 -0.83 -1.06 0.00 0.00 176.35 174.35 2bc3 s GLY 74 N -2.89 -0.41 0.16 -3.48 0.00 -0.24 -1.70 107.32 98.76 2bc3 s GLY 74 Ca 0.10 0.23 -0.14 0.00 0.00 0.00 0.00 44.72 44.90 2bc3 s GLY 74 CO 0.01 -0.06 0.41 0.66 0.00 0.00 0.00 173.10 174.12 2bc3 s TRP 75 N -3.58 -0.00 0.02 1.90 -2.14 -0.36 -1.67 118.94 113.12 2bc3 s TRP 75 Ca 0.01 -0.35 0.06 0.00 2.66 0.00 0.00 56.10 58.49 2bc3 s TRP 75 Cb 0.01 0.22 -0.02 0.00 -3.10 0.00 0.00 33.47 30.58 2bc3 s TRP 75 CO -0.11 -0.79 -0.19 0.99 -2.66 0.00 0.00 176.95 174.20 2bc3 s THR 76 N -3.88 1.47 -0.11 0.66 2.01 -0.47 -0.89 115.64 114.43 2bc3 s THR 76 Ca 0.09 -0.97 0.00 0.00 0.31 0.00 0.00 61.69 61.12 2bc3 s THR 76 Cb 0.01 -1.26 0.02 0.00 0.01 0.00 0.00 72.50 71.28 2bc3 s THR 76 CO -0.05 0.27 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.36 2bc3 s VAL 77 N -0.63 1.16 -0.10 3.82 1.01 -0.43 -2.13 120.40 123.09 2bc3 s VAL 77 Ca 0.06 -0.39 -0.19 0.00 0.00 0.00 0.00 61.98 61.46 2bc3 s VAL 77 Cb -0.08 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.12 2bc3 s VAL 77 CO 0.01 0.39 0.51 0.00 0.00 0.00 0.00 175.10 176.00 2bc3 s ALA 78 N 1.49 3.46 -0.89 5.51 0.00 -1.26 -0.53 121.76 129.54 2bc3 s ALA 78 Ca 0.02 -0.13 -0.06 0.00 0.00 0.00 0.00 51.96 51.79 2bc3 s ALA 78 Cb -0.13 -2.69 0.02 0.00 0.00 0.00 0.00 23.12 20.32 2bc3 s ALA 78 CO -0.07 0.00 2.76 0.91 0.00 0.00 0.00 175.76 179.36 2bc3 n TRP 79 N 3.62 1.89 -4.52 0.00 7.02 -0.15 -4.74 117.44 120.54 2bc3 n TRP 79 Ca -0.06 -2.38 -0.26 0.00 -1.02 0.00 0.00 57.50 53.78 2bc3 n TRP 79 Cb 0.52 -1.73 -0.17 0.00 -2.42 0.00 0.00 31.31 27.51 2bc3 n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 2bc3 s LYS 80 N -0.64 1.83 0.00 -0.99 2.20 -1.26 -0.55 119.74 120.33 2bc3 s LYS 80 Ca 0.60 -0.44 0.00 0.00 -0.36 0.00 0.00 55.97 55.76 2bc3 s LYS 80 Cb 0.27 -1.55 0.00 0.00 -1.51 0.00 0.00 37.83 35.04 2bc3 s LYS 80 CO -0.12 -0.01 0.00 0.27 -0.36 0.00 0.00 175.35 175.13 2bc3 n ASN 81 N 3.98 0.62 0.00 1.43 0.23 -0.52 -4.73 115.26 116.27 2bc3 n ASN 81 Ca -0.21 -0.00 0.14 0.00 -0.53 0.00 0.00 54.58 53.98 2bc3 n ASN 81 Cb 0.51 0.00 0.73 0.00 -2.08 0.00 0.00 39.78 38.94 2bc3 n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2bc3 n ASN 82 N -0.01 0.00 -0.10 0.53 5.03 -1.26 -3.94 115.26 115.51 2bc3 n ASN 82 Ca 0.00 -0.12 -0.17 0.00 0.87 0.00 0.00 54.58 55.17 2bc3 n ASN 82 Cb 0.00 -0.29 -0.08 0.00 -1.02 0.00 0.00 39.78 38.39 2bc3 n ASN 82 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 2bc3 n TYR 83 N -1.29 0.00 -3.99 3.10 4.01 -1.26 -5.09 117.16 112.65 2bc3 n TYR 83 Ca 0.14 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.78 2bc3 n TYR 83 Cb 0.23 -0.73 -0.08 0.00 -0.31 0.00 0.00 39.34 38.45 2bc3 n TYR 83 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 2bc3 s ARG 84 N -2.38 1.09 -0.14 -0.72 1.70 -1.25 -5.15 118.95 112.10 2bc3 s ARG 84 Ca -0.27 -1.21 -0.04 0.00 -0.47 0.00 0.00 55.73 53.75 2bc3 s ARG 84 Cb 0.08 0.35 0.07 0.00 -0.57 0.00 0.00 34.95 34.88 2bc3 s ARG 84 CO 0.41 -0.38 0.19 1.21 -1.08 0.00 0.00 175.30 175.65 2bc3 s ASN 85 N -2.97 1.03 0.00 -2.89 3.84 -1.26 -1.44 114.94 111.25 2bc3 s ASN 85 Ca 0.17 0.10 0.24 0.00 0.21 0.00 0.00 52.86 53.59 2bc3 s ASN 85 Cb 0.04 0.34 0.77 0.00 -0.55 0.00 0.00 41.25 41.85 2bc3 s ASN 85 CO -0.00 -0.28 1.58 0.00 -2.79 0.00 0.00 177.10 175.60 2bc3 n ALA 86 N 5.32 2.53 -3.73 1.71 0.00 0.28 -4.95 120.51 121.67 2bc3 n ALA 86 Ca -0.05 -0.56 -0.24 0.00 0.00 0.00 0.00 53.44 52.59 2bc3 n ALA 86 Cb 0.50 -1.06 0.02 0.00 0.00 0.00 0.00 19.45 18.91 2bc3 n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2bc3 n HIS 87 N 0.50 -1.88 -3.75 0.00 8.25 -1.26 -4.88 115.22 112.20 2bc3 n HIS 87 Ca 0.17 0.72 -0.08 0.00 -0.26 0.00 0.00 57.72 58.27 2bc3 n HIS 87 Cb 0.40 -3.98 -0.02 0.00 1.12 0.00 0.00 29.99 27.51 2bc3 n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2bc3 s SER 88 N -4.09 -0.33 -0.09 0.41 1.04 -1.26 -1.45 113.70 107.94 2bc3 s SER 88 Ca 0.15 -0.46 -0.14 0.00 0.48 0.00 0.00 55.95 55.98 2bc3 s SER 88 Cb -0.05 0.69 0.03 0.00 0.10 0.00 0.00 66.02 66.79 2bc3 s SER 88 CO 0.84 -1.24 0.35 0.00 0.98 0.00 0.00 173.24 174.17 2bc3 s ALA 89 N -3.85 -0.86 -0.04 5.32 0.00 -0.36 -0.98 121.76 120.99 2bc3 s ALA 89 Ca 0.09 0.75 0.05 0.00 0.00 0.00 0.00 51.96 52.85 2bc3 s ALA 89 Cb -0.05 -0.32 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 2bc3 s ALA 89 CO 0.02 -0.21 -0.19 0.99 0.00 0.00 0.00 175.76 176.37 2bc3 s THR 90 N -0.43 2.67 -0.03 0.00 2.01 0.31 -1.26 115.64 118.91 2bc3 s THR 90 Ca -0.06 -0.88 0.05 0.00 0.31 0.00 0.00 61.69 61.11 2bc3 s THR 90 Cb -0.04 -2.01 -0.02 0.00 0.01 0.00 0.00 72.50 70.44 2bc3 s THR 90 CO 0.02 0.58 -0.18 0.42 -0.69 0.00 0.00 174.62 174.77 2bc3 s THR 91 N -0.69 2.75 -0.11 -0.82 -4.23 -0.06 -1.32 115.64 111.16 2bc3 s THR 91 Ca 0.11 -0.87 0.02 0.00 -1.18 0.00 0.00 61.69 59.78 2bc3 s THR 91 Cb -0.10 -2.05 -0.01 0.00 1.34 0.00 0.00 72.50 71.68 2bc3 s THR 91 CO 0.00 0.57 -0.20 0.26 -0.54 0.00 0.00 174.62 174.71 2bc3 s TRP 92 N -0.71 2.65 -0.08 3.99 0.51 -0.07 -0.78 118.94 124.45 2bc3 s TRP 92 Ca 0.11 -0.90 0.03 0.00 -2.12 0.00 0.00 56.10 53.23 2bc3 s TRP 92 Cb -0.10 -1.76 0.01 0.00 -0.81 0.00 0.00 33.47 30.80 2bc3 s TRP 92 CO 0.00 -0.34 -0.19 0.45 -0.51 0.00 0.00 176.95 176.36 2bc3 s SER 93 N 0.34 2.51 0.00 2.95 0.15 0.07 -1.22 113.70 118.51 2bc3 s SER 93 Ca -0.16 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.04 2bc3 s SER 93 Cb -0.17 -1.15 0.00 0.00 -1.71 0.00 0.00 66.02 62.98 2bc3 s SER 93 CO 0.08 0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.23 2bc3 n GLY 94 N 3.65 1.50 3.17 9.45 0.00 -0.69 -1.04 105.19 121.23 2bc3 n GLY 94 Ca -0.21 -0.48 -0.12 0.00 0.00 0.00 0.00 46.02 45.21 2bc3 n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2bc3 s GLN 95 N 1.49 0.52 -0.04 1.61 -2.07 -0.68 -2.00 119.66 118.50 2bc3 s GLN 95 Ca 0.00 -0.15 -0.19 0.00 -1.82 0.00 0.00 55.36 53.21 2bc3 s GLN 95 Cb 0.00 0.23 -0.05 0.00 -1.09 0.00 0.00 33.01 32.10 2bc3 s GLN 95 CO 0.00 -0.13 0.53 -0.47 -1.32 0.00 0.00 175.29 173.90 2bc3 s TYR 96 N -1.02 3.64 -0.17 9.60 5.04 0.37 -2.19 117.35 132.62 2bc3 s TYR 96 Ca -0.11 1.07 0.01 0.00 -2.44 0.00 0.00 57.07 55.60 2bc3 s TYR 96 Cb -0.05 -2.54 0.02 0.00 0.35 0.00 0.00 41.96 39.74 2bc3 s TYR 96 CO 0.02 0.34 -0.17 0.08 -1.34 0.00 0.00 175.55 174.48 2bc3 s VAL 97 N -0.09 1.87 0.36 3.14 1.01 0.37 -0.80 120.40 126.26 2bc3 s VAL 97 Ca 0.28 -0.85 -0.05 0.00 0.00 0.00 0.00 61.98 61.36 2bc3 s VAL 97 Cb -0.17 -1.73 0.08 0.00 0.00 0.00 0.00 36.38 34.56 2bc3 s VAL 97 CO 0.14 0.49 0.49 0.61 0.00 0.00 0.00 175.10 176.83 2bc3 n GLY 98 N 4.67 -0.96 0.00 4.51 0.00 -1.26 -0.60 105.19 111.55 2bc3 n GLY 98 Ca -0.19 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.10 2bc3 n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bc3 n GLY 99 N 1.72 1.63 0.31 -0.02 0.00 -1.26 -4.29 105.19 103.28 2bc3 n GLY 99 Ca 0.06 -2.21 0.21 0.00 0.00 0.00 0.00 46.02 44.08 2bc3 n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bc3 h ALA 100 N 0.00 1.00 -1.89 4.61 0.00 -2.06 -0.20 119.26 120.71 2bc3 h ALA 100 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 2bc3 h ALA 100 Cb 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 17.37 2bc3 h ALA 100 CO 0.00 0.00 -0.74 0.39 0.00 0.00 0.00 179.25 178.90 2bc3 n GLU 101 N -3.01 3.09 -1.45 0.00 1.02 -1.26 -5.08 120.64 113.95 2bc3 n GLU 101 Ca -0.02 -4.56 -0.44 0.00 -0.02 0.00 0.00 57.16 52.13 2bc3 n GLU 101 Cb 0.12 -2.17 -0.01 0.00 -0.02 0.00 0.00 31.44 29.37 2bc3 n GLU 101 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2bc3 n ALA 102 N -0.31 -1.74 -3.40 0.62 0.00 -0.09 -4.95 120.51 110.65 2bc3 n ALA 102 Ca 0.33 0.26 -0.16 0.00 0.00 0.00 0.00 53.44 53.88 2bc3 n ALA 102 Cb 0.54 -1.75 -0.07 0.00 0.00 0.00 0.00 19.45 18.17 2bc3 n ALA 102 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2bc3 s ARG 103 N -1.38 0.86 -0.25 0.00 0.52 0.23 -4.23 118.95 114.69 2bc3 s ARG 103 Ca 0.62 0.16 0.02 0.00 -0.52 0.00 0.00 55.73 56.01 2bc3 s ARG 103 Cb -0.70 0.40 0.05 0.00 0.52 0.00 0.00 34.95 35.22 2bc3 s ARG 103 CO 0.59 -0.24 -0.11 0.42 0.02 0.00 0.00 175.30 175.97 2bc3 s ILE 104 N -1.04 2.26 -0.18 1.52 1.01 0.19 -0.48 121.20 124.48 2bc3 s ILE 104 Ca -0.11 -1.46 -0.16 0.00 0.00 0.00 0.00 60.65 58.93 2bc3 s ILE 104 Cb -0.03 -2.26 -0.04 0.00 0.01 0.00 0.00 42.46 40.15 2bc3 s ILE 104 CO 0.07 0.08 0.40 0.20 0.00 0.00 0.00 174.94 175.69 2bc3 s ASN 105 N 1.16 6.50 0.11 3.58 0.01 -0.93 -0.32 114.94 125.05 2bc3 s ASN 105 Ca -0.06 0.58 0.02 0.00 -0.71 0.00 0.00 52.86 52.69 2bc3 s ASN 105 Cb -0.19 -2.24 -0.04 0.00 0.41 0.00 0.00 41.25 39.19 2bc3 s ASN 105 CO -0.06 -0.04 -0.05 0.42 -1.51 0.00 0.00 177.10 175.86 2bc3 s THR 106 N 1.05 0.67 0.08 1.60 -4.23 -0.32 -1.69 115.64 112.79 2bc3 s THR 106 Ca 0.20 -1.94 0.08 0.00 -1.18 0.00 0.00 61.69 58.85 2bc3 s THR 106 Cb -0.15 -1.76 -0.03 0.00 1.34 0.00 0.00 72.50 71.90 2bc3 s THR 106 CO 0.08 -0.80 -0.22 -1.10 -0.54 0.00 0.00 174.62 172.04 2bc3 s GLN 107 N -3.85 1.31 0.12 3.99 -0.21 -0.21 -1.71 119.66 119.10 2bc3 s GLN 107 Ca 0.14 -1.08 0.05 0.00 0.02 0.00 0.00 55.36 54.48 2bc3 s GLN 107 Cb 0.05 -1.53 -0.04 0.00 1.00 0.00 0.00 33.01 32.50 2bc3 s GLN 107 CO -0.03 0.37 -0.11 1.67 -2.12 0.00 0.00 175.29 175.07 2bc3 s TRP 108 N -0.97 1.24 -0.10 0.91 1.48 -0.01 -0.75 118.94 120.74 2bc3 s TRP 108 Ca 0.08 -0.65 0.01 0.00 -1.06 0.00 0.00 56.10 54.48 2bc3 s TRP 108 Cb -0.09 -0.65 0.02 0.00 -1.16 0.00 0.00 33.47 31.58 2bc3 s TRP 108 CO 0.03 0.08 -0.12 -0.51 -4.06 0.00 0.00 176.95 172.37 2bc3 s LEU 109 N -2.69 1.56 -0.33 -4.66 1.43 0.04 -1.57 118.68 112.46 2bc3 s LEU 109 Ca 0.10 -0.37 -0.02 0.00 -1.03 0.00 0.00 54.13 52.82 2bc3 s LEU 109 Cb -0.02 -0.97 0.07 0.00 0.03 0.00 0.00 46.19 45.30 2bc3 s LEU 109 CO 0.01 -0.02 0.06 -0.22 0.23 0.00 0.00 176.35 176.42 2bc3 s LEU 110 N 1.13 4.34 -0.16 1.79 2.96 -0.08 -0.88 118.68 127.78 2bc3 s LEU 110 Ca -0.05 -1.53 -0.05 0.00 -0.22 0.00 0.00 54.13 52.28 2bc3 s LEU 110 Cb -0.14 -1.75 -0.03 0.00 0.50 0.00 0.00 46.19 44.77 2bc3 s LEU 110 CO -0.03 -0.35 -0.01 -0.89 -1.32 0.00 0.00 176.35 173.75 2bc3 s THR 111 N 1.21 4.12 0.01 3.68 2.01 -0.39 -0.88 115.64 125.40 2bc3 s THR 111 Ca -0.00 -0.27 -0.01 0.00 0.31 0.00 0.00 61.69 61.71 2bc3 s THR 111 Cb -0.21 -2.82 -0.04 0.00 0.01 0.00 0.00 72.50 69.44 2bc3 s THR 111 CO -0.02 0.48 0.17 -0.44 -0.69 0.00 0.00 174.62 174.12 2bc3 s SER 112 N 0.39 6.23 0.15 3.53 0.01 0.21 -1.22 113.70 123.00 2bc3 s SER 112 Ca -0.02 0.28 -0.30 0.00 1.31 0.00 0.00 55.95 57.22 2bc3 s SER 112 Cb -0.14 -1.92 -0.07 0.00 0.21 0.00 0.00 66.02 64.10 2bc3 s SER 112 CO 0.02 0.24 1.13 -0.83 0.41 0.00 0.00 173.24 174.22 2bc3 s GLY 113 N -2.06 2.73 0.24 3.44 0.00 -0.53 -4.83 107.32 106.32 2bc3 s GLY 113 Ca 0.29 0.84 0.01 0.00 0.00 0.00 0.00 44.72 45.86 2bc3 s GLY 113 CO 0.20 1.77 0.15 -0.51 0.00 0.00 0.00 173.10 174.71 2bc3 s THR 114 N 0.08 0.14 0.93 0.90 -4.23 -1.26 -5.00 115.64 107.20 2bc3 s THR 114 Ca 0.52 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.91 2bc3 s THR 114 Cb -0.30 -2.53 0.15 0.00 1.34 0.00 0.00 72.50 71.16 2bc3 s THR 114 CO 0.34 0.00 1.11 0.42 -0.54 0.00 0.00 174.62 175.95 2bc3 s THR 115 N -3.92 2.19 0.30 3.99 -4.23 -1.26 -4.88 115.64 107.84 2bc3 s THR 115 Ca 0.39 0.06 -0.01 0.00 -1.18 0.00 0.00 61.69 60.95 2bc3 s THR 115 Cb 0.06 -2.70 0.23 0.00 1.34 0.00 0.00 72.50 71.43 2bc3 s THR 115 CO 0.15 -0.08 1.94 -0.08 -0.54 0.00 0.00 174.62 176.00 2bc3 h GLU 116 N -1.59 0.97 0.00 3.99 4.57 -2.01 -2.04 114.58 118.46 2bc3 h GLU 116 Ca -0.51 -0.10 -0.06 0.00 -1.18 0.00 0.00 59.36 57.51 2bc3 h GLU 116 Cb 1.32 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.70 2bc3 h GLU 116 CO 0.60 0.70 -0.31 0.00 -1.18 0.00 0.00 179.01 178.82 2bc3 h ALA 117 N 1.46 1.36 -0.49 2.92 0.00 -2.06 -2.54 119.26 119.91 2bc3 h ALA 117 Ca 0.25 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2bc3 h ALA 117 Cb -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2bc3 h ALA 117 CO -0.04 0.39 0.00 0.09 0.00 0.00 0.00 179.25 179.68 2bc3 n ASN 118 N -3.99 3.36 -0.13 0.00 3.02 -0.84 -4.51 115.26 112.17 2bc3 n ASN 118 Ca -0.02 -1.97 0.10 0.00 -0.03 0.00 0.00 54.58 52.66 2bc3 n ASN 118 Cb 0.37 -0.32 0.44 0.00 -0.61 0.00 0.00 39.78 39.66 2bc3 n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bc3 h ALA 119 N 4.36 1.90 0.00 5.41 0.00 -0.94 -1.47 119.26 128.52 2bc3 h ALA 119 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 2bc3 h ALA 119 Cb 0.91 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 2bc3 h ALA 119 CO 0.00 -0.04 -0.04 0.11 0.00 0.00 0.00 179.25 179.28 2bc3 h TRP 120 N 0.55 0.00 -0.29 0.00 5.08 -1.82 -1.99 115.95 117.48 2bc3 h TRP 120 Ca 0.31 0.00 -0.09 0.00 1.08 0.00 0.00 58.89 60.19 2bc3 h TRP 120 Cb 0.48 0.00 -0.05 0.00 -3.00 0.00 0.00 29.16 26.58 2bc3 h TRP 120 CO -0.00 0.04 -0.04 0.36 -1.28 0.00 0.00 178.44 177.52 2bc3 n LYS 121 N -3.37 2.25 0.19 0.12 2.85 -0.56 -4.66 118.16 114.98 2bc3 n LYS 121 Ca -0.02 -2.99 0.13 0.00 -1.05 0.00 0.00 58.31 54.37 2bc3 n LYS 121 Cb 0.17 -1.80 0.26 0.00 -0.65 0.00 0.00 35.03 33.01 2bc3 n LYS 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2bc3 h SER 122 N 1.25 0.00 -3.28 -5.58 4.64 -1.34 -3.46 113.55 105.78 2bc3 h SER 122 Ca 0.11 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.87 2bc3 h SER 122 Cb 1.52 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 63.24 2bc3 h SER 122 CO 0.29 0.00 -0.80 -0.89 -0.87 0.00 0.00 176.83 174.56 2bc3 s THR 123 N -3.20 1.21 0.29 2.95 2.01 -1.26 -0.62 115.64 117.03 2bc3 s THR 123 Ca 0.08 -0.60 -0.11 0.00 0.31 0.00 0.00 61.69 61.37 2bc3 s THR 123 Cb 0.07 -1.31 -0.07 0.00 0.01 0.00 0.00 72.50 71.20 2bc3 s THR 123 CO 0.64 0.23 0.64 -0.76 -0.69 0.00 0.00 174.62 174.68 2bc3 s LEU 124 N 1.60 4.07 0.04 4.42 1.43 -0.06 -4.90 118.68 125.28 2bc3 s LEU 124 Ca 0.02 1.04 0.05 0.00 -1.03 0.00 0.00 54.13 54.21 2bc3 s LEU 124 Cb -0.14 -3.84 -0.02 0.00 0.03 0.00 0.00 46.19 42.21 2bc3 s LEU 124 CO -0.08 -0.18 -0.15 0.54 0.23 0.00 0.00 176.35 176.70 2bc3 s VAL 125 N -1.99 1.21 0.02 -1.59 0.11 -1.26 -0.90 120.40 115.99 2bc3 s VAL 125 Ca 0.50 -1.07 -0.01 0.00 -2.93 0.00 0.00 61.98 58.46 2bc3 s VAL 125 Cb -0.11 -1.09 0.01 0.00 -1.53 0.00 0.00 36.38 33.66 2bc3 s VAL 125 CO 0.23 0.01 0.07 0.61 -3.33 0.00 0.00 175.10 172.69 2bc3 n GLY 126 N 1.82 1.46 3.09 6.54 0.00 -0.61 -5.00 105.19 112.48 2bc3 n GLY 126 Ca -0.18 -0.97 -0.08 0.00 0.00 0.00 0.00 46.02 44.80 2bc3 n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2bc3 s HIS 127 N -6.57 0.40 0.04 1.61 -3.43 -1.26 -0.83 115.29 105.25 2bc3 s HIS 127 Ca 0.02 -0.86 -0.23 0.00 -0.80 0.00 0.00 55.06 53.18 2bc3 s HIS 127 Cb -0.00 -0.30 0.05 0.00 -1.43 0.00 0.00 32.58 30.91 2bc3 s HIS 127 CO 0.01 -0.36 0.53 0.34 -2.00 0.00 0.00 174.74 173.26 2bc3 s ASP 128 N -2.57 -0.46 -0.00 7.38 2.15 -0.69 -4.67 116.67 117.80 2bc3 s ASP 128 Ca 0.01 0.23 0.05 0.00 0.43 0.00 0.00 52.55 53.27 2bc3 s ASP 128 Cb 0.04 0.49 -0.01 0.00 -0.30 0.00 0.00 42.92 43.14 2bc3 s ASP 128 CO -0.08 -0.71 -0.17 0.28 -0.17 0.00 0.00 175.17 174.33 2bc3 s THR 129 N -2.31 1.33 0.04 1.71 -1.32 -1.26 -1.18 115.64 112.65 2bc3 s THR 129 Ca -0.06 -0.78 0.09 0.00 -1.21 0.00 0.00 61.69 59.73 2bc3 s THR 129 Cb -0.01 -1.12 -0.03 0.00 -1.51 0.00 0.00 72.50 69.83 2bc3 s THR 129 CO -0.01 0.33 -0.25 -0.36 -2.21 0.00 0.00 174.62 172.12 2bc3 s PHE 130 N -0.46 2.35 0.39 9.09 0.40 0.57 -4.21 117.98 126.11 2bc3 s PHE 130 Ca 0.06 -0.39 0.04 0.00 -0.60 0.00 0.00 56.93 56.04 2bc3 s PHE 130 Cb -0.07 -1.41 -0.03 0.00 0.51 0.00 0.00 43.02 42.03 2bc3 s PHE 130 CO -0.00 0.13 0.15 0.95 0.70 0.00 0.00 175.22 177.15 2bc3 s THR 131 N -0.81 0.51 -1.71 0.64 -4.23 -0.49 -0.64 115.64 108.91 2bc3 s THR 131 Ca 0.12 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 58.89 2bc3 s THR 131 Cb -0.10 -2.39 0.27 0.00 1.34 0.00 0.00 72.50 71.61 2bc3 s THR 131 CO 0.02 0.00 1.58 0.29 -0.54 0.00 0.00 174.62 175.97 2bc3 n LYS 132 N -0.84 0.79 -3.52 3.99 5.02 -1.26 -1.25 118.16 121.08 2bc3 n LYS 132 Ca -0.04 -0.45 -0.39 0.00 -2.02 0.00 0.00 58.31 55.41 2bc3 n LYS 132 Cb 0.65 -1.49 -0.10 0.00 -0.02 0.00 0.00 35.03 34.06 2bc3 n LYS 132 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2bc3 s VAL 133 N -2.53 5.27 0.11 -0.18 1.01 -1.26 -4.87 120.40 117.95 2bc3 s VAL 133 Ca 0.24 0.05 -0.31 0.00 0.00 0.00 0.00 61.98 61.96 2bc3 s VAL 133 Cb 0.19 -3.65 -0.10 0.00 0.00 0.00 0.00 36.38 32.82 2bc3 s VAL 133 CO 0.53 0.10 1.85 -0.75 0.00 0.00 0.00 175.10 176.82 2bc3 s LYS 134 N 1.81 4.14 0.44 2.72 2.20 -1.26 -4.81 119.74 124.98 2bc3 s LYS 134 Ca 0.08 2.60 -0.22 0.00 -0.36 0.00 0.00 55.97 58.07 2bc3 s LYS 134 Cb -0.17 -3.67 -0.09 0.00 -1.51 0.00 0.00 37.83 32.39 2bc3 s LYS 134 CO 0.11 -0.86 1.03 -1.25 -0.36 0.00 0.00 175.35 174.02 2bc3 s PRO 135 N 2.97 4.02 0.91 4.03 0.04 -1.26 -5.04 135.00 140.68 2bc3 s PRO 135 Ca 0.82 1.41 -0.13 0.00 0.04 0.00 0.00 61.00 63.14 2bc3 s PRO 135 Cb -0.46 -2.32 0.14 0.00 0.04 0.00 0.00 34.50 31.90 2bc3 s PRO 135 CO 0.37 -0.25 1.16 -1.54 0.04 0.00 0.00 177.00 176.78 2bc3 s SER 136 N -1.80 3.54 0.47 6.66 1.04 -1.26 -4.76 113.70 117.58 2bc3 s SER 136 Ca 0.62 0.83 0.14 0.00 0.48 0.00 0.00 55.95 58.02 2bc3 s SER 136 Cb -0.18 -1.32 1.10 0.00 0.10 0.00 0.00 66.02 65.72 2bc3 s SER 136 CO 0.23 -2.52 2.06 0.00 0.98 0.00 0.00 173.24 173.99 2bc3 h ALA 137 N -1.48 1.98 -0.66 5.32 0.00 -1.97 0.44 119.26 122.89 2bc3 h ALA 137 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2bc3 h ALA 137 Cb 1.32 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2bc3 h ALA 137 CO 0.59 -0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.80 2bc3 n ALA 138 N -2.53 -0.31 -0.34 0.00 0.00 -1.26 0.76 120.51 116.83 2bc3 n ALA 138 Ca 0.04 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.63 2bc3 n ALA 138 Cb 0.22 0.09 0.30 0.00 0.00 0.00 0.00 19.45 20.06 2bc3 n ALA 138 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2bc3 h SER 139 N 0.00 -0.44 -0.21 0.00 4.64 -1.88 1.50 113.55 117.17 2bc3 h SER 139 Ca 0.00 0.28 -0.03 0.00 -0.47 0.00 0.00 61.79 61.57 2bc3 h SER 139 Cb 0.00 0.47 -0.02 0.00 -0.31 0.00 0.00 62.40 62.55 2bc3 h SER 139 CO 0.00 -0.35 0.06 0.40 -0.87 0.00 0.00 176.83 176.07 2bc3 h ILE 140 N 0.02 1.14 -0.04 0.95 2.04 0.24 -0.60 117.51 121.26 2bc3 h ILE 140 Ca 0.60 -0.50 -0.19 0.00 1.00 0.00 0.00 64.86 65.77 2bc3 h ILE 140 Cb 1.26 0.86 0.01 0.00 -0.74 0.00 0.00 36.82 38.21 2bc3 h ILE 140 CO -0.91 0.18 -0.73 0.44 0.00 0.00 0.00 178.15 177.13 2bc3 h ASP 141 N 0.40 0.72 0.25 1.72 3.32 0.82 -2.43 116.42 121.22 2bc3 h ASP 141 Ca 0.10 -0.71 -0.09 0.00 0.02 0.00 0.00 57.03 56.35 2bc3 h ASP 141 Cb 0.17 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 2bc3 h ASP 141 CO -0.00 1.33 -0.35 0.00 -1.72 0.00 0.00 179.24 178.49 2bc3 h ALA 142 N 0.41 1.28 0.18 3.45 0.00 -0.97 -1.82 119.26 121.78 2bc3 h ALA 142 Ca -0.08 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 2bc3 h ALA 142 Cb 1.40 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2bc3 h ALA 142 CO 0.15 0.50 -0.09 0.00 0.00 0.00 0.00 179.25 179.81 2bc3 h ALA 143 N 1.52 -0.24 -0.96 0.00 0.00 -1.04 -0.54 119.26 118.00 2bc3 h ALA 143 Ca 0.01 -0.11 0.21 0.00 0.00 0.00 0.00 54.91 55.02 2bc3 h ALA 143 Cb 0.68 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.48 2bc3 h ALA 143 CO 0.05 -0.57 0.62 0.87 0.00 0.00 0.00 179.25 180.22 2bc3 h LYS 144 N -0.38 0.52 -0.37 0.00 1.57 -1.32 0.45 116.57 117.04 2bc3 h LYS 144 Ca -0.02 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 2bc3 h LYS 144 Cb 0.29 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 2bc3 h LYS 144 CO 0.04 0.34 -0.09 -0.22 -0.57 0.00 0.00 179.45 178.96 2bc3 h LYS 145 N 0.53 0.63 -0.95 3.15 1.63 -0.75 -2.73 116.57 118.09 2bc3 h LYS 145 Ca 0.52 -0.18 -0.20 0.00 -0.85 0.00 0.00 60.65 59.94 2bc3 h LYS 145 Cb 1.12 -0.07 -0.12 0.00 -0.60 0.00 0.00 32.23 32.57 2bc3 h LYS 145 CO -0.26 0.71 0.26 0.00 -3.45 0.00 0.00 179.45 176.71 2bc3 n ALA 146 N -2.48 3.87 -1.60 5.00 0.00 0.16 -4.95 120.51 120.51 2bc3 n ALA 146 Ca 0.01 -1.36 0.00 0.00 0.00 0.00 0.00 53.44 52.10 2bc3 n ALA 146 Cb 0.32 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.58 2bc3 n ALA 146 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bc3 n GLY 147 N -0.18 -4.82 3.77 0.00 0.00 -1.03 -4.93 105.19 98.00 2bc3 n GLY 147 Ca 0.27 -0.50 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 2bc3 n GLY 147 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2bc3 s VAL 148 N -1.73 2.70 -0.10 1.61 -7.23 -1.26 -4.81 120.40 109.58 2bc3 s VAL 148 Ca 0.00 0.67 0.15 0.00 -1.81 0.00 0.00 61.98 60.98 2bc3 s VAL 148 Cb 0.00 -3.41 0.22 0.00 0.56 0.00 0.00 36.38 33.76 2bc3 s VAL 148 CO 0.00 0.13 1.11 0.59 -0.31 0.00 0.00 175.10 176.62 2bc3 n ASN 149 N 0.46 2.13 -4.77 4.85 5.03 -1.26 -5.09 115.26 116.62 2bc3 n ASN 149 Ca 0.02 -2.83 -0.35 0.00 0.87 0.00 0.00 54.58 52.29 2bc3 n ASN 149 Cb 0.43 -0.34 0.02 0.00 -1.02 0.00 0.00 39.78 38.86 2bc3 n ASN 149 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2bc3 s ASN 150 N -2.44 5.48 -0.15 6.41 2.20 -1.26 -4.42 114.94 120.76 2bc3 s ASN 150 Ca 0.25 2.23 0.16 0.00 -0.94 0.00 0.00 52.86 54.56 2bc3 s ASN 150 Cb 0.22 -2.58 0.73 0.00 -2.00 0.00 0.00 41.25 37.61 2bc3 s ASN 150 CO 0.02 -1.39 1.63 0.61 -2.94 0.00 0.00 177.10 175.04 2bc3 n GLY 151 N 0.22 2.70 3.86 0.45 0.00 -1.26 -4.89 105.19 106.27 2bc3 n GLY 151 Ca 0.12 -0.84 -0.37 0.00 0.00 0.00 0.00 46.02 44.94 2bc3 n GLY 151 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bc3 s ASN 152 N -0.83 6.62 0.49 1.61 2.20 -1.26 -4.80 114.94 118.98 2bc3 s ASN 152 Ca 0.50 0.74 -0.22 0.00 -0.94 0.00 0.00 52.86 52.94 2bc3 s ASN 152 Cb 0.34 -2.16 -0.06 0.00 -2.00 0.00 0.00 41.25 37.37 2bc3 s ASN 152 CO 0.21 0.31 1.20 -2.16 -2.94 0.00 0.00 177.10 173.72 2bc3 s PRO 153 N -1.31 3.54 0.50 3.55 0.04 -1.26 -4.89 135.00 135.18 2bc3 s PRO 153 Ca 0.23 1.84 0.17 0.00 0.04 0.00 0.00 61.00 63.29 2bc3 s PRO 153 Cb -0.14 -2.30 1.23 0.00 0.04 0.00 0.00 34.50 33.33 2bc3 s PRO 153 CO 0.12 -0.75 2.07 1.25 0.04 0.00 0.00 177.00 179.74 2bc3 h LEU 154 N 1.76 0.10 0.00 -3.56 5.85 -1.97 -1.93 115.31 115.56 2bc3 h LEU 154 Ca -0.50 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.22 2bc3 h LEU 154 Cb 1.26 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.27 2bc3 h LEU 154 CO 0.59 0.06 0.00 -0.67 -0.34 0.00 0.00 178.44 178.08 2bc3 n ASP 155 N -4.48 0.00 -0.05 1.25 2.03 -1.26 -0.60 116.55 113.44 2bc3 n ASP 155 Ca 0.03 -0.04 0.14 0.00 0.52 0.00 0.00 54.79 55.43 2bc3 n ASP 155 Cb 0.27 -0.27 0.53 0.00 -0.72 0.00 0.00 41.12 40.93 2bc3 n ASP 155 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2bc3 n ALA 156 N -1.27 2.81 -2.66 -1.67 0.00 -0.73 -4.73 120.51 112.25 2bc3 n ALA 156 Ca 0.10 -0.23 -0.37 0.00 0.00 0.00 0.00 53.44 52.94 2bc3 n ALA 156 Cb 0.16 -1.33 -0.09 0.00 0.00 0.00 0.00 19.45 18.19 2bc3 n ALA 156 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2bc3 s VAL 157 N -2.76 5.35 -0.48 0.00 1.01 0.23 -4.54 120.40 119.21 2bc3 s VAL 157 Ca 0.20 0.21 -0.22 0.00 0.00 0.00 0.00 61.98 62.17 2bc3 s VAL 157 Cb 0.19 -3.51 0.03 0.00 0.00 0.00 0.00 36.38 33.09 2bc3 s VAL 157 CO 0.54 0.34 0.76 -1.58 0.00 0.00 0.00 175.10 175.16 2bc3 s GLN 158 N 1.05 3.31 0.00 2.72 2.00 -1.26 -5.03 119.66 122.44 2bc3 s GLN 158 Ca 0.08 -0.34 0.22 0.00 -2.00 0.00 0.00 55.36 53.32 2bc3 s GLN 158 Cb -0.13 -3.99 1.34 0.00 0.80 0.00 0.00 33.01 31.02 2bc3 s GLN 158 CO 0.04 -1.19 1.72 1.04 -0.50 0.00 0.00 175.29 176.40