#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bc3 h ALA 15 N 0.00 1.15 -0.25 -1.84 0.00 -1.93 -2.17 119.26 114.23 2bc3 h ALA 15 Ca 0.00 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 2bc3 h ALA 15 Cb 0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 2bc3 h ALA 15 CO 0.00 0.66 -0.43 0.78 0.00 0.00 0.00 179.25 180.26 2bc3 h GLY 16 N 1.22 0.68 0.98 0.00 0.00 -2.04 -3.30 103.07 100.61 2bc3 h GLY 16 Ca 0.30 -0.70 -0.30 0.00 0.00 0.00 0.00 47.33 46.63 2bc3 h GLY 16 CO -0.04 0.63 -1.37 -2.22 0.00 0.00 0.00 176.54 173.54 2bc3 h ILE 17 N 0.51 1.24 -2.15 2.60 2.04 -1.96 -3.45 117.51 116.33 2bc3 h ILE 17 Ca 0.04 -2.59 -0.60 0.00 1.00 0.00 0.00 64.86 62.71 2bc3 h ILE 17 Cb 0.95 2.99 0.05 0.00 -0.74 0.00 0.00 36.82 40.08 2bc3 h ILE 17 CO 0.09 0.79 0.81 0.41 0.00 0.00 0.00 178.15 180.25 2bc3 n THR 18 N -3.81 0.11 -0.39 -0.27 -1.04 -0.82 -4.77 114.28 103.28 2bc3 n THR 18 Ca -0.19 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.80 2bc3 n THR 18 Cb 1.01 -1.51 0.00 0.00 -1.82 0.00 0.00 70.33 68.01 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 3.50 0.79 3.76 3.41 0.00 0.36 -4.97 105.19 112.04 2bc3 n GLY 19 Ca 0.18 -1.83 -0.36 0.00 0.00 0.00 0.00 46.02 44.01 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 -2.37 5.14 0.07 2.61 2.01 -1.26 -1.45 115.64 120.38 2bc3 s THR 20 Ca 0.00 0.08 0.06 0.00 0.31 0.00 0.00 61.69 62.14 2bc3 s THR 20 Cb 0.00 -3.27 -0.03 0.00 0.01 0.00 0.00 72.50 69.21 2bc3 s THR 20 CO 0.00 0.55 -0.17 0.26 -0.69 0.00 0.00 174.62 174.57 2bc3 s TRP 21 N -0.43 1.47 -0.03 4.92 0.52 0.69 -4.71 118.94 121.37 2bc3 s TRP 21 Ca 0.11 -0.42 0.04 0.00 0.02 0.00 0.00 56.10 55.85 2bc3 s TRP 21 Cb -0.12 -0.83 -0.00 0.00 -1.15 0.00 0.00 33.47 31.37 2bc3 s TRP 21 CO 0.02 0.10 -0.15 0.71 0.02 0.00 0.00 176.95 177.65 2bc3 s TYR 22 N -1.10 1.48 0.74 -1.98 2.02 -0.13 -0.81 117.35 117.57 2bc3 s TYR 22 Ca 0.02 -0.39 0.00 0.00 -0.37 0.00 0.00 57.07 56.34 2bc3 s TYR 22 Cb -0.09 -1.00 0.15 0.00 -0.40 0.00 0.00 41.96 40.61 2bc3 s TYR 22 CO 0.03 -0.12 1.01 0.27 -1.57 0.00 0.00 175.55 175.16 2bc3 n ASN 23 N 3.08 1.41 -0.34 2.29 6.94 -0.47 -1.05 115.26 127.12 2bc3 n ASN 23 Ca -0.17 -2.18 0.16 0.00 -0.02 0.00 0.00 54.58 52.37 2bc3 n ASN 23 Cb 0.54 -0.65 0.31 0.00 -2.36 0.00 0.00 39.78 37.62 2bc3 n ASN 23 CO 0.00 0.00 0.00 0.06 -1.03 0.00 0.00 177.26 176.29 2bc3 h GLN 24 N 0.00 0.00 -0.65 -3.83 -0.00 -1.90 -0.11 115.11 108.63 2bc3 h GLN 24 Ca -0.33 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.32 2bc3 h GLN 24 Cb 1.25 -0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.72 2bc3 h GLN 24 CO 0.36 0.00 0.00 1.28 -0.00 0.00 0.00 178.83 180.48 2bc3 n LEU 25 N -5.48 4.19 0.00 0.06 7.99 -1.26 -4.68 117.00 117.82 2bc3 n LEU 25 Ca 0.24 -2.11 0.00 0.00 -0.01 0.00 0.00 56.01 54.13 2bc3 n LEU 25 Cb 0.80 -0.53 0.00 0.00 -0.11 0.00 0.00 43.42 43.58 2bc3 n LEU 25 CO -0.07 0.76 0.00 0.61 -1.51 0.00 0.00 177.39 177.19 2bc3 n GLY 26 N 1.15 0.88 3.70 -0.72 0.00 -0.05 -4.76 105.19 105.38 2bc3 n GLY 26 Ca 0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 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 1.99 -4.12 1.61 7.64 -1.26 -2.84 113.62 116.64 2bc3 n SER 27 Ca 0.00 0.89 -0.30 0.00 1.01 0.00 0.00 58.87 60.47 2bc3 n SER 27 Cb 0.00 -1.52 -0.17 0.00 -1.01 0.00 0.00 64.21 61.51 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 -1.37 1.78 -0.29 0.44 2.01 0.23 -1.37 115.64 117.07 2bc3 s THR 28 Ca 0.76 -0.82 -0.02 0.00 0.31 0.00 0.00 61.69 61.92 2bc3 s THR 28 Cb -0.41 -1.59 0.04 0.00 0.01 0.00 0.00 72.50 70.55 2bc3 s THR 28 CO 0.46 0.50 -0.01 0.12 -0.69 0.00 0.00 174.62 174.99 2bc3 s PHE 29 N 0.83 3.21 -0.26 4.92 5.36 0.01 0.00 117.98 132.06 2bc3 s PHE 29 Ca -0.08 -1.76 -0.05 0.00 -0.96 0.00 0.00 56.93 54.08 2bc3 s PHE 29 Cb -0.16 -2.10 0.00 0.00 -0.34 0.00 0.00 43.02 40.42 2bc3 s PHE 29 CO -0.00 -0.78 0.02 0.42 -1.46 0.00 0.00 175.22 173.42 2bc3 s ILE 30 N 1.28 3.68 0.01 3.12 1.01 0.17 -0.22 121.20 130.25 2bc3 s ILE 30 Ca -0.04 -0.61 0.00 0.00 0.00 0.00 0.00 60.65 60.01 2bc3 s ILE 30 Cb -0.19 -2.81 -0.01 0.00 0.01 0.00 0.00 42.46 39.46 2bc3 s ILE 30 CO -0.02 0.23 -0.02 0.54 0.00 0.00 0.00 174.94 175.68 2bc3 s VAL 31 N 1.48 0.09 -0.14 2.92 0.11 -0.53 -0.82 120.40 123.52 2bc3 s VAL 31 Ca 0.04 -0.43 0.00 0.00 -2.93 0.00 0.00 61.98 58.66 2bc3 s VAL 31 Cb -0.16 -0.16 -0.01 0.00 -1.53 0.00 0.00 36.38 34.52 2bc3 s VAL 31 CO -0.00 -0.21 -0.14 -0.89 -3.33 0.00 0.00 175.10 170.53 2bc3 s THR 32 N -0.66 2.91 -0.33 5.04 2.01 0.67 -0.49 115.64 124.79 2bc3 s THR 32 Ca -0.07 -0.70 -0.13 0.00 0.31 0.00 0.00 61.69 61.10 2bc3 s THR 32 Cb -0.05 -2.22 -0.02 0.00 0.01 0.00 0.00 72.50 70.22 2bc3 s THR 32 CO -0.00 0.52 0.23 0.00 -0.69 0.00 0.00 174.62 174.68 2bc3 s ALA 33 N 0.50 3.51 0.56 7.40 0.00 -1.26 -1.98 121.76 130.49 2bc3 s ALA 33 Ca -0.10 -1.33 -0.04 0.00 0.00 0.00 0.00 51.96 50.49 2bc3 s ALA 33 Cb -0.16 -2.64 0.01 0.00 0.00 0.00 0.00 23.12 20.33 2bc3 s ALA 33 CO 0.04 -0.90 0.85 0.20 0.00 0.00 0.00 175.76 175.95 2bc3 s GLY 34 N 1.73 1.61 0.40 0.00 0.00 0.13 -4.87 107.32 106.31 2bc3 s GLY 34 Ca 0.06 -0.81 0.07 0.00 0.00 0.00 0.00 44.72 44.05 2bc3 s GLY 34 CO 0.11 -0.55 2.03 0.00 0.00 0.00 0.00 173.10 174.68 2bc3 h ALA 35 N -0.04 1.73 -0.03 3.20 0.00 -1.98 -2.28 119.26 119.86 2bc3 h ALA 35 Ca -0.45 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2bc3 h ALA 35 Cb 1.26 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2bc3 h ALA 35 CO 0.60 0.21 0.00 -0.40 0.00 0.00 0.00 179.25 179.66 2bc3 n ASP 36 N -4.47 0.35 0.00 0.00 5.75 -1.26 -4.92 116.55 112.00 2bc3 n ASP 36 Ca 0.06 -1.39 0.00 0.00 -0.01 0.00 0.00 54.79 53.45 2bc3 n ASP 36 Cb 0.13 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 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 0.91 0.55 3.76 6.12 0.00 -0.86 -4.98 105.19 110.69 2bc3 n GLY 37 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.22 3.35 -0.14 4.61 0.00 -1.26 -0.86 121.76 125.23 2bc3 s ALA 38 Ca 0.00 0.92 -0.01 0.00 0.00 0.00 0.00 51.96 52.88 2bc3 s ALA 38 Cb 0.00 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.76 2bc3 s ALA 38 CO 0.00 -0.26 -0.12 -0.51 0.00 0.00 0.00 175.76 174.87 2bc3 s LEU 39 N -1.75 2.73 -0.00 0.00 1.43 -0.05 0.17 118.68 121.21 2bc3 s LEU 39 Ca 0.48 -0.34 0.02 0.00 -1.03 0.00 0.00 54.13 53.26 2bc3 s LEU 39 Cb -0.31 -1.63 -0.01 0.00 0.03 0.00 0.00 46.19 44.27 2bc3 s LEU 39 CO 0.40 0.14 -0.06 -0.89 0.23 0.00 0.00 176.35 176.17 2bc3 s THR 40 N 0.51 0.47 -2.09 5.49 2.01 -0.84 -0.95 115.64 120.24 2bc3 s THR 40 Ca -0.08 -0.30 0.00 0.00 0.31 0.00 0.00 61.69 61.61 2bc3 s THR 40 Cb -0.16 -0.40 0.00 0.00 0.01 0.00 0.00 72.50 71.95 2bc3 s THR 40 CO 0.04 0.10 0.00 0.61 -0.69 0.00 0.00 174.62 174.68 2bc3 n GLY 41 N 2.84 -0.66 3.04 4.40 0.00 -0.88 -0.24 105.19 113.69 2bc3 n GLY 41 Ca -0.14 -0.53 -0.09 0.00 0.00 0.00 0.00 46.02 45.27 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 -3.82 0.14 -0.08 2.61 -4.23 0.00 -1.41 115.64 108.86 2bc3 s THR 42 Ca 0.00 -1.18 0.05 0.00 -1.18 0.00 0.00 61.69 59.37 2bc3 s THR 42 Cb 0.00 -0.72 -0.01 0.00 1.34 0.00 0.00 72.50 73.12 2bc3 s THR 42 CO 0.00 -0.65 -0.24 -0.47 -0.54 0.00 0.00 174.62 172.72 2bc3 s TYR 43 N -2.32 2.51 0.35 3.99 6.14 0.41 -0.66 117.35 127.77 2bc3 s TYR 43 Ca -0.08 -0.86 -0.03 0.00 0.64 0.00 0.00 57.07 56.73 2bc3 s TYR 43 Cb -0.04 -1.66 0.01 0.00 0.42 0.00 0.00 41.96 40.70 2bc3 s TYR 43 CO -0.04 -0.30 0.51 -0.85 0.64 0.00 0.00 175.55 175.51 2bc3 n GLU 44 N 3.22 0.74 -3.04 4.97 0.28 0.10 -1.25 120.64 125.67 2bc3 n GLU 44 Ca -0.18 -2.66 -0.22 0.00 -0.16 0.00 0.00 57.16 53.94 2bc3 n GLU 44 Cb 0.52 2.64 0.01 0.00 1.43 0.00 0.00 31.44 36.05 2bc3 n GLU 44 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 2bc3 s SER 45 N -3.10 5.80 0.00 -1.84 0.01 -1.25 -0.60 113.70 112.72 2bc3 s SER 45 Ca 0.27 0.16 0.00 0.00 1.31 0.00 0.00 55.95 57.68 2bc3 s SER 45 Cb -0.01 -1.40 0.00 0.00 0.21 0.00 0.00 66.02 64.81 2bc3 s SER 45 CO 0.19 -0.69 0.00 0.00 0.41 0.00 0.00 173.24 173.15 2bc3 n ALA 46 N -2.02 0.00 0.00 1.44 0.00 -1.13 -4.54 120.51 114.27 2bc3 n ALA 46 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 2bc3 n ALA 46 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 2bc3 n ALA 46 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2bc3 n ASN 49 N -0.33 0.00 0.22 0.00 2.85 -1.26 -5.03 115.26 111.71 2bc3 n ASN 49 Ca 0.00 0.00 0.06 0.00 -0.11 0.00 0.00 54.58 54.53 2bc3 n ASN 49 Cb 0.00 0.00 0.52 0.00 1.24 0.00 0.00 39.78 41.54 2bc3 n ASN 49 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2bc3 h ALA 50 N 0.00 1.51 0.00 5.20 0.00 -2.00 -0.25 119.26 123.72 2bc3 h ALA 50 Ca 0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 2bc3 h ALA 50 Cb 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2bc3 h ALA 50 CO 0.00 0.27 -0.13 0.93 0.00 0.00 0.00 179.25 180.32 2bc3 h GLU 51 N 0.00 0.00 -0.46 0.00 5.08 -2.02 -2.74 114.58 114.45 2bc3 h GLU 51 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2bc3 h GLU 51 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 2bc3 h GLU 51 CO 0.03 0.13 0.00 -1.13 -1.00 0.00 0.00 179.01 177.04 2bc3 n SER 52 N -3.52 3.24 -4.73 1.42 3.41 -0.13 -4.79 113.62 108.51 2bc3 n SER 52 Ca -0.01 -2.01 -0.36 0.00 -0.26 0.00 0.00 58.87 56.22 2bc3 n SER 52 Cb 0.28 -0.31 -0.07 0.00 -0.26 0.00 0.00 64.21 63.84 2bc3 n SER 52 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2bc3 s ARG 53 N -1.02 4.23 0.01 4.33 3.52 -1.03 -3.86 118.95 125.13 2bc3 s ARG 53 Ca 0.31 0.10 0.02 0.00 -0.13 0.00 0.00 55.73 56.03 2bc3 s ARG 53 Cb 0.16 -3.42 -0.01 0.00 -1.56 0.00 0.00 34.95 30.12 2bc3 s ARG 53 CO 0.21 0.26 -0.08 0.71 -0.81 0.00 0.00 175.30 175.59 2bc3 s TYR 54 N 0.41 0.70 0.39 5.12 2.02 -0.38 -4.85 117.35 120.77 2bc3 s TYR 54 Ca 0.17 -0.23 -0.26 0.00 -0.37 0.00 0.00 57.07 56.38 2bc3 s TYR 54 Cb -0.13 -0.43 -0.09 0.00 -0.40 0.00 0.00 41.96 40.91 2bc3 s TYR 54 CO 0.04 -0.02 1.28 0.08 -1.57 0.00 0.00 175.55 175.36 2bc3 s VAL 55 N -0.50 2.72 0.11 0.71 1.01 -1.26 -0.45 120.40 122.74 2bc3 s VAL 55 Ca -0.00 0.65 0.05 0.00 0.00 0.00 0.00 61.98 62.68 2bc3 s VAL 55 Cb -0.05 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 2bc3 s VAL 55 CO 0.00 0.10 -0.13 -1.48 0.00 0.00 0.00 175.10 173.59 2bc3 s LEU 56 N -2.35 2.39 -0.03 3.92 0.05 -0.50 -4.32 118.68 117.84 2bc3 s LEU 56 Ca 0.56 -0.78 -0.17 0.00 0.05 0.00 0.00 54.13 53.79 2bc3 s LEU 56 Cb -0.37 -0.45 0.03 0.00 -2.05 0.00 0.00 46.19 43.35 2bc3 s LEU 56 CO 0.48 -0.18 0.37 0.28 -0.55 0.00 0.00 176.35 176.75 2bc3 s THR 57 N -2.13 0.04 0.00 5.48 -1.32 -1.00 -2.08 115.64 114.63 2bc3 s THR 57 Ca 0.06 -0.36 0.00 0.00 -1.21 0.00 0.00 61.69 60.18 2bc3 s THR 57 Cb -0.05 -0.66 0.00 0.00 -1.51 0.00 0.00 72.50 70.28 2bc3 s THR 57 CO 0.02 -0.20 0.00 0.61 -2.21 0.00 0.00 174.62 172.84 2bc3 n GLY 58 N 1.40 1.77 3.00 6.08 0.00 -0.12 -1.11 105.19 116.21 2bc3 n GLY 58 Ca -0.20 -0.81 -0.10 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.50 0.38 0.05 1.61 1.81 -0.66 -0.87 118.95 120.77 2bc3 s ARG 59 Ca 0.00 -0.69 -0.07 0.00 -1.72 0.00 0.00 55.73 53.25 2bc3 s ARG 59 Cb 0.00 0.05 -0.01 0.00 -0.45 0.00 0.00 34.95 34.54 2bc3 s ARG 59 CO 0.00 -0.04 0.13 1.52 -0.68 0.00 0.00 175.30 176.23 2bc3 s TYR 60 N -1.65 0.18 -0.48 -0.53 1.13 -0.04 -1.50 117.35 114.46 2bc3 s TYR 60 Ca -0.13 -0.51 -0.28 0.00 -1.41 0.00 0.00 57.07 54.74 2bc3 s TYR 60 Cb -0.08 -0.12 -0.00 0.00 -1.10 0.00 0.00 41.96 40.65 2bc3 s TYR 60 CO -0.01 -0.41 1.60 0.34 -2.51 0.00 0.00 175.55 174.55 2bc3 s ASP 61 N -2.32 5.96 0.00 -0.18 2.15 -0.24 -4.56 116.67 117.47 2bc3 s ASP 61 Ca -0.02 0.69 0.31 0.00 0.43 0.00 0.00 52.55 53.95 2bc3 s ASP 61 Cb 0.01 -2.54 1.62 0.00 -0.30 0.00 0.00 42.92 41.71 2bc3 s ASP 61 CO -0.06 -1.77 2.06 -1.54 -0.17 0.00 0.00 175.17 173.70 2bc3 n SER 62 N 10.17 0.49 -3.16 -0.34 3.41 -1.26 -4.07 113.62 118.86 2bc3 n SER 62 Ca 0.18 -1.15 -0.22 0.00 -0.26 0.00 0.00 58.87 57.42 2bc3 n SER 62 Cb 0.49 -0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.38 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 -0.62 2.14 -1.05 7.33 0.00 -1.26 -5.03 120.51 122.02 2bc3 n ALA 63 Ca 0.22 -3.28 -0.31 0.00 0.00 0.00 0.00 53.44 50.07 2bc3 n ALA 63 Cb 0.19 -0.86 0.13 0.00 0.00 0.00 0.00 19.45 18.91 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 -1.25 1.62 0.75 0.00 0.04 -1.26 -5.00 135.00 129.89 2bc3 s PRO 64 Ca 0.35 1.23 -0.14 0.00 0.04 0.00 0.00 61.00 62.49 2bc3 s PRO 64 Cb 0.20 -1.82 0.05 0.00 0.04 0.00 0.00 34.50 32.97 2bc3 s PRO 64 CO -0.11 -2.11 1.16 0.00 0.04 0.00 0.00 177.00 175.97 2bc3 s ALA 65 N -2.81 2.12 -0.45 8.56 0.00 -1.26 -4.98 121.76 122.94 2bc3 s ALA 65 Ca 0.63 0.67 0.04 0.00 0.00 0.00 0.00 51.96 53.31 2bc3 s ALA 65 Cb -0.19 -3.40 0.45 0.00 0.00 0.00 0.00 23.12 19.97 2bc3 s ALA 65 CO 0.57 -1.86 1.47 0.25 0.00 0.00 0.00 175.76 176.19 2bc3 n THR 66 N -2.99 2.89 -0.69 0.00 -2.24 -1.26 -4.64 114.28 105.34 2bc3 n THR 66 Ca 0.12 -3.94 0.07 0.00 -2.27 0.00 0.00 64.05 58.03 2bc3 n THR 66 Cb 0.51 -1.17 0.18 0.00 -2.10 0.00 0.00 70.33 67.75 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 -0.73 3.11 0.00 3.42 5.75 -1.26 -4.94 116.55 121.89 2bc3 n ASP 67 Ca 0.49 -2.66 0.00 0.00 -0.01 0.00 0.00 54.79 52.61 2bc3 n ASP 67 Cb 0.81 -0.38 0.00 0.00 -1.03 0.00 0.00 41.12 40.52 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 -0.46 0.91 3.77 6.12 0.00 -1.26 -5.06 105.19 109.21 2bc3 n GLY 68 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 2bc3 n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bc3 s SER 69 N -2.94 5.37 1.02 1.61 0.01 -1.26 -5.06 113.70 112.44 2bc3 s SER 69 Ca 0.00 2.08 -0.15 0.00 1.31 0.00 0.00 55.95 59.18 2bc3 s SER 69 Cb 0.00 -2.56 0.20 0.00 0.21 0.00 0.00 66.02 63.87 2bc3 s SER 69 CO 0.00 -1.46 1.17 -0.83 0.41 0.00 0.00 173.24 172.53 2bc3 s GLY 70 N -2.23 1.63 -0.32 3.44 0.00 -1.26 -4.88 107.32 103.70 2bc3 s GLY 70 Ca 0.69 -0.81 -0.09 0.00 0.00 0.00 0.00 44.72 44.51 2bc3 s GLY 70 CO 0.35 -0.10 0.14 -1.59 0.00 0.00 0.00 173.10 171.91 2bc3 s THR 71 N -3.32 4.44 0.37 0.90 2.01 -0.32 -4.84 115.64 114.88 2bc3 s THR 71 Ca 0.69 -0.55 -0.27 0.00 0.31 0.00 0.00 61.69 61.87 2bc3 s THR 71 Cb -0.11 -3.30 -0.09 0.00 0.01 0.00 0.00 72.50 69.01 2bc3 s THR 71 CO 0.54 0.02 1.20 0.00 -0.69 0.00 0.00 174.62 175.70 2bc3 s ALA 72 N 1.58 3.28 0.27 7.40 0.00 -1.26 -0.68 121.76 132.34 2bc3 s ALA 72 Ca 0.04 1.04 -0.20 0.00 0.00 0.00 0.00 51.96 52.85 2bc3 s ALA 72 Cb -0.17 -3.40 0.02 0.00 0.00 0.00 0.00 23.12 19.56 2bc3 s ALA 72 CO 0.05 -0.52 0.67 -0.48 0.00 0.00 0.00 175.76 175.48 2bc3 s LEU 73 N -2.17 -0.16 0.08 0.00 0.05 -0.72 -1.08 118.68 114.68 2bc3 s LEU 73 Ca 0.53 -0.65 -0.26 0.00 0.05 0.00 0.00 54.13 53.80 2bc3 s LEU 73 Cb -0.34 2.55 0.08 0.00 -2.05 0.00 0.00 46.19 46.44 2bc3 s LEU 73 CO 0.43 -1.30 0.75 -0.83 -0.55 0.00 0.00 176.35 174.85 2bc3 s GLY 74 N -2.93 -0.53 0.20 -3.48 0.00 -0.56 -1.68 107.32 98.34 2bc3 s GLY 74 Ca 0.13 0.72 -0.18 0.00 0.00 0.00 0.00 44.72 45.39 2bc3 s GLY 74 CO 0.07 0.24 0.55 0.66 0.00 0.00 0.00 173.10 174.62 2bc3 s TRP 75 N -3.44 -0.14 -0.00 1.90 -2.14 -0.55 -1.65 118.94 112.92 2bc3 s TRP 75 Ca 0.03 -0.20 0.05 0.00 2.66 0.00 0.00 56.10 58.64 2bc3 s TRP 75 Cb -0.01 0.44 -0.01 0.00 -3.10 0.00 0.00 33.47 30.78 2bc3 s TRP 75 CO -0.10 -0.95 -0.14 0.99 -2.66 0.00 0.00 176.95 174.08 2bc3 s THR 76 N -3.87 1.14 -0.14 0.66 2.01 -0.27 -0.72 115.64 114.45 2bc3 s THR 76 Ca 0.09 -0.69 0.02 0.00 0.31 0.00 0.00 61.69 61.42 2bc3 s THR 76 Cb -0.02 -0.96 0.01 0.00 0.01 0.00 0.00 72.50 71.54 2bc3 s THR 76 CO -0.02 0.26 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.29 2bc3 s VAL 77 N -0.43 1.89 -0.15 3.82 1.01 -0.31 -2.39 120.40 123.84 2bc3 s VAL 77 Ca 0.05 -0.87 -0.18 0.00 0.00 0.00 0.00 61.98 60.98 2bc3 s VAL 77 Cb -0.06 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 2bc3 s VAL 77 CO -0.00 0.52 0.48 0.00 0.00 0.00 0.00 175.10 176.10 2bc3 s ALA 78 N 0.98 3.50 -0.42 5.51 0.00 -1.26 -0.86 121.76 129.22 2bc3 s ALA 78 Ca -0.04 -0.28 -0.06 0.00 0.00 0.00 0.00 51.96 51.57 2bc3 s ALA 78 Cb -0.15 -2.70 -0.17 0.00 0.00 0.00 0.00 23.12 20.11 2bc3 s ALA 78 CO -0.04 -0.16 3.32 0.91 0.00 0.00 0.00 175.76 179.79 2bc3 n TRP 79 N 4.08 0.79 -4.76 0.00 7.02 -0.10 -4.76 117.44 119.71 2bc3 n TRP 79 Ca -0.06 -1.91 -0.27 0.00 -1.02 0.00 0.00 57.50 54.24 2bc3 n TRP 79 Cb 0.51 -1.73 -0.17 0.00 -2.42 0.00 0.00 31.31 27.50 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 0.68 2.09 0.00 -0.99 2.20 -1.26 -1.42 119.74 121.03 2bc3 s LYS 80 Ca 0.66 -0.55 0.00 0.00 -0.36 0.00 0.00 55.97 55.72 2bc3 s LYS 80 Cb 0.30 -1.66 0.00 0.00 -1.51 0.00 0.00 37.83 34.96 2bc3 s LYS 80 CO -0.05 0.07 0.00 0.27 -0.36 0.00 0.00 175.35 175.28 2bc3 n ASN 81 N 3.73 0.00 0.00 1.43 0.23 -0.15 -4.78 115.26 115.73 2bc3 n ASN 81 Ca -0.22 -0.16 0.13 0.00 -0.53 0.00 0.00 54.58 53.81 2bc3 n ASN 81 Cb 0.52 0.00 0.67 0.00 -2.08 0.00 0.00 39.78 38.89 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 -0.45 0.00 -0.10 0.53 5.03 -1.26 -3.78 115.26 115.24 2bc3 n ASN 82 Ca 0.00 -0.00 -0.14 0.00 0.87 0.00 0.00 54.58 55.31 2bc3 n ASN 82 Cb 0.00 -0.32 -0.10 0.00 -1.02 0.00 0.00 39.78 38.34 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 -1.32 0.00 -4.01 3.10 4.01 -1.26 -5.05 117.16 112.62 2bc3 n TYR 83 Ca 0.12 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.78 2bc3 n TYR 83 Cb 0.24 -0.80 -0.10 0.00 -0.31 0.00 0.00 39.34 38.37 2bc3 n TYR 83 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2bc3 s ARG 84 N -2.41 0.61 -0.10 -0.72 3.00 -1.25 -5.13 118.95 112.95 2bc3 s ARG 84 Ca -0.26 -1.02 -0.03 0.00 0.00 0.00 0.00 55.73 54.42 2bc3 s ARG 84 Cb 0.07 0.22 0.04 0.00 0.00 0.00 0.00 34.95 35.28 2bc3 s ARG 84 CO 0.50 -0.13 0.06 1.21 0.00 0.00 0.00 175.30 176.94 2bc3 s ASN 85 N -2.59 1.70 0.00 0.23 3.84 -1.26 -0.97 114.94 115.88 2bc3 s ASN 85 Ca 0.02 -0.22 0.26 0.00 0.21 0.00 0.00 52.86 53.12 2bc3 s ASN 85 Cb 0.04 -0.23 0.65 0.00 -0.55 0.00 0.00 41.25 41.16 2bc3 s ASN 85 CO -0.08 -0.28 1.51 0.00 -2.79 0.00 0.00 177.10 175.46 2bc3 n ALA 86 N 5.26 2.70 -3.66 1.71 0.00 -0.51 -4.99 120.51 121.03 2bc3 n ALA 86 Ca -0.05 -0.53 -0.25 0.00 0.00 0.00 0.00 53.44 52.61 2bc3 n ALA 86 Cb 0.49 -1.02 0.04 0.00 0.00 0.00 0.00 19.45 18.96 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 0.39 -1.96 -3.71 0.00 8.25 -1.26 -4.86 115.22 112.08 2bc3 n HIS 87 Ca 0.16 0.69 -0.07 0.00 -0.26 0.00 0.00 57.72 58.24 2bc3 n HIS 87 Cb 0.44 -3.95 -0.02 0.00 1.12 0.00 0.00 29.99 27.58 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 -3.91 -0.31 -0.16 0.41 1.04 -1.26 -1.08 113.70 108.43 2bc3 s SER 88 Ca 0.24 -0.37 -0.14 0.00 0.48 0.00 0.00 55.95 56.15 2bc3 s SER 88 Cb -0.07 0.60 0.04 0.00 0.10 0.00 0.00 66.02 66.69 2bc3 s SER 88 CO 0.83 -1.07 0.43 0.00 0.98 0.00 0.00 173.24 174.40 2bc3 s ALA 89 N -3.62 -1.06 -0.06 5.32 0.00 -0.57 -0.92 121.76 120.86 2bc3 s ALA 89 Ca 0.09 1.22 0.03 0.00 0.00 0.00 0.00 51.96 53.30 2bc3 s ALA 89 Cb -0.03 -0.71 -0.03 0.00 0.00 0.00 0.00 23.12 22.35 2bc3 s ALA 89 CO 0.00 -0.21 -0.12 0.99 0.00 0.00 0.00 175.76 176.43 2bc3 s THR 90 N 0.30 3.26 -0.09 0.00 2.01 -0.04 -1.03 115.64 120.06 2bc3 s THR 90 Ca -0.01 -0.64 0.03 0.00 0.31 0.00 0.00 61.69 61.38 2bc3 s THR 90 Cb -0.03 -2.30 -0.01 0.00 0.01 0.00 0.00 72.50 70.16 2bc3 s THR 90 CO -0.00 0.59 -0.19 0.42 -0.69 0.00 0.00 174.62 174.75 2bc3 s THR 91 N -0.71 2.61 -0.15 -0.82 -4.23 -0.24 -1.16 115.64 110.93 2bc3 s THR 91 Ca 0.11 -0.85 -0.04 0.00 -1.18 0.00 0.00 61.69 59.73 2bc3 s THR 91 Cb -0.11 -2.03 -0.03 0.00 1.34 0.00 0.00 72.50 71.67 2bc3 s THR 91 CO 0.01 0.56 -0.01 0.26 -0.54 0.00 0.00 174.62 174.89 2bc3 s TRP 92 N -0.03 3.08 -0.11 3.99 0.51 0.10 -1.41 118.94 125.08 2bc3 s TRP 92 Ca -0.05 -0.18 0.03 0.00 -2.12 0.00 0.00 56.10 53.78 2bc3 s TRP 92 Cb -0.14 -1.97 -0.00 0.00 -0.81 0.00 0.00 33.47 30.54 2bc3 s TRP 92 CO 0.05 0.05 -0.21 0.45 -0.51 0.00 0.00 176.95 176.77 2bc3 s SER 93 N 0.25 3.33 0.00 2.95 0.15 0.03 -1.48 113.70 118.93 2bc3 s SER 93 Ca -0.01 -0.50 0.00 0.00 0.70 0.00 0.00 55.95 56.14 2bc3 s SER 93 Cb -0.14 -1.43 0.00 0.00 -1.71 0.00 0.00 66.02 62.74 2bc3 s SER 93 CO 0.02 0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.24 2bc3 n GLY 94 N 3.49 1.38 3.16 9.45 0.00 -0.68 -1.05 105.19 120.95 2bc3 n GLY 94 Ca -0.19 -0.70 -0.12 0.00 0.00 0.00 0.00 46.02 45.01 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 0.33 0.45 -0.01 1.61 -2.07 -0.56 -1.76 119.66 117.66 2bc3 s GLN 95 Ca 0.00 0.00 -0.20 0.00 -1.82 0.00 0.00 55.36 53.34 2bc3 s GLN 95 Cb 0.00 0.20 -0.05 0.00 -1.09 0.00 0.00 33.01 32.07 2bc3 s GLN 95 CO 0.00 -0.10 0.58 -0.47 -1.32 0.00 0.00 175.29 173.98 2bc3 s TYR 96 N -0.68 3.68 -0.17 9.60 5.04 0.14 -1.62 117.35 133.34 2bc3 s TYR 96 Ca -0.08 1.17 0.01 0.00 -2.44 0.00 0.00 57.07 55.73 2bc3 s TYR 96 Cb -0.04 -2.59 0.02 0.00 0.35 0.00 0.00 41.96 39.70 2bc3 s TYR 96 CO 0.02 0.36 -0.17 0.08 -1.34 0.00 0.00 175.55 174.50 2bc3 s VAL 97 N -0.20 1.83 0.36 3.14 1.01 0.72 -1.17 120.40 126.09 2bc3 s VAL 97 Ca 0.30 -0.82 -0.04 0.00 0.00 0.00 0.00 61.98 61.42 2bc3 s VAL 97 Cb -0.18 -1.69 0.08 0.00 0.00 0.00 0.00 36.38 34.59 2bc3 s VAL 97 CO 0.17 0.48 0.49 0.61 0.00 0.00 0.00 175.10 176.85 2bc3 n GLY 98 N 4.69 -0.54 0.00 4.51 0.00 -1.26 -1.10 105.19 111.49 2bc3 n GLY 98 Ca -0.19 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.03 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 1.60 0.89 0.26 -0.02 0.00 -1.26 -4.51 105.19 102.15 2bc3 n GLY 99 Ca 0.07 -2.29 0.10 0.00 0.00 0.00 0.00 46.02 43.90 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 1.73 -2.25 4.61 0.00 -2.06 -2.55 119.26 118.74 2bc3 h ALA 100 Ca 0.00 -0.05 -0.60 0.00 0.00 0.00 0.00 54.91 54.26 2bc3 h ALA 100 Cb 0.00 -0.01 -0.42 0.00 0.00 0.00 0.00 17.79 17.37 2bc3 h ALA 100 CO 0.00 0.07 -0.58 0.39 0.00 0.00 0.00 179.25 179.12 2bc3 n GLU 101 N -4.22 3.28 -1.67 0.00 4.71 -1.26 -5.08 120.64 116.40 2bc3 n GLU 101 Ca -0.03 -4.85 -0.41 0.00 -0.01 0.00 0.00 57.16 51.86 2bc3 n GLU 101 Cb 0.14 -2.25 0.02 0.00 -1.01 0.00 0.00 31.44 28.34 2bc3 n GLU 101 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2bc3 n ALA 102 N -0.18 0.92 -2.74 0.62 0.00 -0.96 -4.96 120.51 113.21 2bc3 n ALA 102 Ca 0.31 0.23 -0.10 0.00 0.00 0.00 0.00 53.44 53.89 2bc3 n ALA 102 Cb 0.39 -2.21 -0.09 0.00 0.00 0.00 0.00 19.45 17.54 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 -2.23 0.64 -0.23 0.00 0.52 -0.26 -4.16 118.95 113.23 2bc3 s ARG 103 Ca 0.63 -0.74 0.02 0.00 -0.52 0.00 0.00 55.73 55.12 2bc3 s ARG 103 Cb -0.51 0.26 0.05 0.00 0.52 0.00 0.00 34.95 35.26 2bc3 s ARG 103 CO 0.56 -0.17 -0.14 0.42 0.02 0.00 0.00 175.30 175.99 2bc3 s ILE 104 N -2.73 2.14 -0.17 1.52 1.01 -0.10 -0.20 121.20 122.66 2bc3 s ILE 104 Ca -0.04 -1.38 -0.15 0.00 0.00 0.00 0.00 60.65 59.08 2bc3 s ILE 104 Cb -0.00 -2.13 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 2bc3 s ILE 104 CO -0.05 0.18 0.34 0.20 0.00 0.00 0.00 174.94 175.61 2bc3 s ASN 105 N 1.17 6.45 0.09 3.58 0.01 -0.64 -0.85 114.94 124.76 2bc3 s ASN 105 Ca -0.04 0.53 0.01 0.00 -0.71 0.00 0.00 52.86 52.65 2bc3 s ASN 105 Cb -0.17 -2.21 -0.04 0.00 0.41 0.00 0.00 41.25 39.24 2bc3 s ASN 105 CO -0.08 0.04 -0.03 0.42 -1.51 0.00 0.00 177.10 175.93 2bc3 s THR 106 N 0.75 0.48 0.06 1.60 -4.23 -0.04 -1.49 115.64 112.77 2bc3 s THR 106 Ca 0.18 -1.90 0.08 0.00 -1.18 0.00 0.00 61.69 58.88 2bc3 s THR 106 Cb -0.14 -1.71 -0.03 0.00 1.34 0.00 0.00 72.50 71.96 2bc3 s THR 106 CO 0.06 -0.84 -0.21 -1.10 -0.54 0.00 0.00 174.62 171.99 2bc3 s GLN 107 N -3.89 1.88 0.13 3.99 -0.21 -0.21 -1.84 119.66 119.51 2bc3 s GLN 107 Ca 0.13 -1.09 0.04 0.00 0.02 0.00 0.00 55.36 54.46 2bc3 s GLN 107 Cb 0.06 -2.09 -0.04 0.00 1.00 0.00 0.00 33.01 31.94 2bc3 s GLN 107 CO -0.05 0.51 -0.10 1.67 -2.12 0.00 0.00 175.29 175.21 2bc3 s TRP 108 N -0.93 1.17 -0.09 0.91 1.48 0.02 -0.79 118.94 120.71 2bc3 s TRP 108 Ca 0.14 -0.77 0.01 0.00 -1.06 0.00 0.00 56.10 54.43 2bc3 s TRP 108 Cb -0.10 -0.61 0.02 0.00 -1.16 0.00 0.00 33.47 31.61 2bc3 s TRP 108 CO 0.05 0.03 -0.11 -0.51 -4.06 0.00 0.00 176.95 172.35 2bc3 s LEU 109 N -3.03 1.51 -0.34 -4.66 1.43 -0.50 -1.75 118.68 111.33 2bc3 s LEU 109 Ca 0.14 -0.31 -0.03 0.00 -1.03 0.00 0.00 54.13 52.90 2bc3 s LEU 109 Cb 0.02 -0.85 0.06 0.00 0.03 0.00 0.00 46.19 45.45 2bc3 s LEU 109 CO -0.00 -0.02 0.09 -0.22 0.23 0.00 0.00 176.35 176.43 2bc3 s LEU 110 N 1.04 4.40 -0.18 1.79 2.96 0.20 -1.07 118.68 127.82 2bc3 s LEU 110 Ca -0.07 -1.45 -0.05 0.00 -0.22 0.00 0.00 54.13 52.33 2bc3 s LEU 110 Cb -0.15 -1.79 -0.03 0.00 0.50 0.00 0.00 46.19 44.72 2bc3 s LEU 110 CO -0.01 -0.36 0.01 -0.89 -1.32 0.00 0.00 176.35 173.78 2bc3 s THR 111 N 1.27 4.21 0.02 3.68 2.01 -0.20 -0.66 115.64 125.97 2bc3 s THR 111 Ca -0.00 -0.24 -0.08 0.00 0.31 0.00 0.00 61.69 61.68 2bc3 s THR 111 Cb -0.21 -2.88 -0.05 0.00 0.01 0.00 0.00 72.50 69.37 2bc3 s THR 111 CO -0.01 0.46 0.31 -0.44 -0.69 0.00 0.00 174.62 174.25 2bc3 s SER 112 N 0.54 6.54 0.26 3.53 0.01 0.29 -1.51 113.70 123.37 2bc3 s SER 112 Ca -0.00 0.63 -0.30 0.00 1.31 0.00 0.00 55.95 57.59 2bc3 s SER 112 Cb -0.14 -2.12 -0.10 0.00 0.21 0.00 0.00 66.02 63.87 2bc3 s SER 112 CO 0.02 0.24 1.41 -0.83 0.41 0.00 0.00 173.24 174.49 2bc3 s GLY 113 N -1.67 2.44 0.14 3.44 0.00 -0.24 -4.80 107.32 106.62 2bc3 s GLY 113 Ca 0.28 1.31 -0.01 0.00 0.00 0.00 0.00 44.72 46.30 2bc3 s GLY 113 CO 0.16 2.21 0.07 -0.51 0.00 0.00 0.00 173.10 175.03 2bc3 s THR 114 N -0.18 0.09 0.99 0.90 -4.23 -1.26 -5.00 115.64 106.94 2bc3 s THR 114 Ca 0.58 -1.92 -0.13 0.00 -1.18 0.00 0.00 61.69 59.04 2bc3 s THR 114 Cb -0.41 -2.10 0.18 0.00 1.34 0.00 0.00 72.50 71.51 2bc3 s THR 114 CO 0.45 -0.41 1.12 0.42 -0.54 0.00 0.00 174.62 175.65 2bc3 s THR 115 N -4.06 1.97 0.28 3.99 -4.23 -1.26 -4.86 115.64 107.47 2bc3 s THR 115 Ca 0.26 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.74 2bc3 s THR 115 Cb 0.07 -2.60 0.22 0.00 1.34 0.00 0.00 72.50 71.54 2bc3 s THR 115 CO 0.03 0.00 1.91 -0.33 -0.54 0.00 0.00 174.62 175.69 2bc3 h GLU 116 N -1.81 1.06 0.00 3.99 4.39 -2.01 -2.16 114.58 118.04 2bc3 h GLU 116 Ca -0.52 -0.11 -0.04 0.00 0.34 0.00 0.00 59.36 59.03 2bc3 h GLU 116 Cb 1.33 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.76 2bc3 h GLU 116 CO 0.57 0.77 -0.17 0.00 -1.16 0.00 0.00 179.01 179.03 2bc3 h ALA 117 N 1.40 1.26 -0.47 3.43 0.00 -2.06 -2.37 119.26 120.44 2bc3 h ALA 117 Ca 0.27 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2bc3 h ALA 117 Cb 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2bc3 h ALA 117 CO -0.05 0.21 0.00 0.09 0.00 0.00 0.00 179.25 179.51 2bc3 n ASN 118 N -3.67 3.52 0.27 0.00 3.02 -0.86 -4.53 115.26 113.02 2bc3 n ASN 118 Ca -0.01 -1.98 0.15 0.00 -0.03 0.00 0.00 54.58 52.71 2bc3 n ASN 118 Cb 0.29 -0.31 0.88 0.00 -0.61 0.00 0.00 39.78 40.03 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 4.20 1.62 0.00 5.41 0.00 -0.91 -1.04 119.26 128.53 2bc3 h ALA 119 Ca 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2bc3 h ALA 119 Cb 0.96 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 2bc3 h ALA 119 CO 0.00 -0.06 -0.07 0.11 0.00 0.00 0.00 179.25 179.22 2bc3 h TRP 120 N 0.00 0.00 -0.36 0.00 5.08 -1.82 -1.57 115.95 117.29 2bc3 h TRP 120 Ca 0.02 0.00 -0.09 0.00 1.08 0.00 0.00 58.89 59.90 2bc3 h TRP 120 Cb 0.11 0.00 -0.05 0.00 -3.00 0.00 0.00 29.16 26.21 2bc3 h TRP 120 CO 0.00 0.07 0.03 0.36 -1.28 0.00 0.00 178.44 177.62 2bc3 n LYS 121 N -3.52 2.67 0.15 0.12 2.85 -0.40 -4.61 118.16 115.42 2bc3 n LYS 121 Ca -0.02 -2.98 0.02 0.00 -1.05 0.00 0.00 58.31 54.29 2bc3 n LYS 121 Cb 0.20 -1.89 0.10 0.00 -0.65 0.00 0.00 35.03 32.79 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 1.63 0.00 -3.28 -5.58 4.64 -1.28 -3.45 113.55 106.23 2bc3 h SER 122 Ca 0.11 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.81 2bc3 h SER 122 Cb 1.65 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 63.38 2bc3 h SER 122 CO 0.35 0.52 -0.83 -0.89 -0.87 0.00 0.00 176.83 175.11 2bc3 s THR 123 N -3.11 1.75 0.21 2.95 2.01 -1.26 -0.54 115.64 117.64 2bc3 s THR 123 Ca 0.03 -0.92 -0.08 0.00 0.31 0.00 0.00 61.69 61.03 2bc3 s THR 123 Cb 0.09 -1.71 -0.07 0.00 0.01 0.00 0.00 72.50 70.82 2bc3 s THR 123 CO 0.74 0.33 0.50 -0.76 -0.69 0.00 0.00 174.62 174.73 2bc3 s LEU 124 N 1.38 4.19 0.08 4.42 1.43 0.17 -4.91 118.68 125.44 2bc3 s LEU 124 Ca 0.02 0.82 0.08 0.00 -1.03 0.00 0.00 54.13 54.02 2bc3 s LEU 124 Cb -0.15 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.47 2bc3 s LEU 124 CO -0.10 -0.04 -0.21 0.54 0.23 0.00 0.00 176.35 176.77 2bc3 s VAL 125 N -1.78 1.73 0.00 -1.59 0.11 -1.26 -0.63 120.40 116.98 2bc3 s VAL 125 Ca 0.45 -1.41 0.00 0.00 -2.93 0.00 0.00 61.98 58.10 2bc3 s VAL 125 Cb -0.11 -1.54 0.00 0.00 -1.53 0.00 0.00 36.38 33.20 2bc3 s VAL 125 CO 0.22 0.07 0.00 0.61 -3.33 0.00 0.00 175.10 172.67 2bc3 n GLY 126 N 1.41 1.76 3.17 6.54 0.00 -0.72 -5.00 105.19 112.35 2bc3 n GLY 126 Ca -0.18 -0.83 -0.13 0.00 0.00 0.00 0.00 46.02 44.88 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 -4.80 -0.16 0.00 1.61 -3.43 -1.26 -0.80 115.29 106.44 2bc3 s HIS 127 Ca 0.00 0.32 0.01 0.00 -0.80 0.00 0.00 55.06 54.59 2bc3 s HIS 127 Cb 0.00 0.06 -0.00 0.00 -1.43 0.00 0.00 32.58 31.21 2bc3 s HIS 127 CO 0.00 -0.27 -0.02 -0.51 -2.00 0.00 0.00 174.74 171.94 2bc3 s ASP 128 N -0.80 0.23 -0.09 7.38 1.11 -0.77 -4.67 116.67 119.06 2bc3 s ASP 128 Ca -0.09 -0.07 0.03 0.00 0.18 0.00 0.00 52.55 52.60 2bc3 s ASP 128 Cb -0.05 -0.01 -0.01 0.00 1.07 0.00 0.00 42.92 43.91 2bc3 s ASP 128 CO 0.02 -0.00 -0.18 -0.89 1.18 0.00 0.00 175.17 175.30 2bc3 s THR 129 N -0.16 2.69 -0.04 -1.27 2.01 -1.26 -0.86 115.64 116.76 2bc3 s THR 129 Ca -0.01 -0.82 0.04 0.00 0.31 0.00 0.00 61.69 61.22 2bc3 s THR 129 Cb -0.01 -2.07 -0.03 0.00 0.01 0.00 0.00 72.50 70.40 2bc3 s THR 129 CO -0.00 0.56 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.97 2bc3 s PHE 130 N -0.02 2.66 0.34 4.92 0.40 -0.03 -3.35 117.98 122.90 2bc3 s PHE 130 Ca -0.05 -0.19 0.03 0.00 -0.60 0.00 0.00 56.93 56.13 2bc3 s PHE 130 Cb -0.14 -1.60 -0.04 0.00 0.51 0.00 0.00 43.02 41.75 2bc3 s PHE 130 CO 0.04 0.18 0.14 0.95 0.70 0.00 0.00 175.22 177.24 2bc3 s THR 131 N -0.75 0.50 -0.98 0.64 -4.23 -0.21 -0.93 115.64 109.68 2bc3 s THR 131 Ca 0.12 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 58.87 2bc3 s THR 131 Cb -0.11 -2.50 -0.02 0.00 1.34 0.00 0.00 72.50 71.22 2bc3 s THR 131 CO 0.01 0.00 1.36 0.29 -0.54 0.00 0.00 174.62 175.74 2bc3 n LYS 132 N -0.69 0.02 -4.18 3.99 5.02 -1.26 -0.96 118.16 120.11 2bc3 n LYS 132 Ca -0.01 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.94 2bc3 n LYS 132 Cb 0.65 -1.51 -0.10 0.00 -0.02 0.00 0.00 35.03 34.05 2bc3 n LYS 132 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2bc3 s VAL 133 N -3.01 4.49 0.13 -0.18 0.11 -1.26 -4.86 120.40 115.82 2bc3 s VAL 133 Ca 0.10 -0.15 -0.31 0.00 -2.93 0.00 0.00 61.98 58.69 2bc3 s VAL 133 Cb 0.17 -2.98 -0.09 0.00 -1.53 0.00 0.00 36.38 31.95 2bc3 s VAL 133 CO 0.72 0.51 1.54 -0.75 -3.33 0.00 0.00 175.10 173.79 2bc3 s LYS 134 N 0.04 4.23 0.86 1.54 2.20 -1.26 -4.82 119.74 122.53 2bc3 s LYS 134 Ca 0.04 2.28 -0.12 0.00 -0.36 0.00 0.00 55.97 57.81 2bc3 s LYS 134 Cb -0.13 -3.29 0.11 0.00 -1.51 0.00 0.00 37.83 33.01 2bc3 s LYS 134 CO 0.01 -0.60 1.10 -1.25 -0.36 0.00 0.00 175.35 174.25 2bc3 s PRO 135 N 1.52 1.54 0.45 4.03 0.04 -1.26 -5.08 135.00 136.24 2bc3 s PRO 135 Ca 0.70 0.67 0.06 0.00 0.04 0.00 0.00 61.00 62.46 2bc3 s PRO 135 Cb -0.41 -1.85 0.02 0.00 0.04 0.00 0.00 34.50 32.29 2bc3 s PRO 135 CO 0.31 -2.01 0.62 0.45 0.04 0.00 0.00 177.00 176.42 2bc3 s SER 136 N -3.69 5.57 0.55 6.66 0.15 -1.26 -4.88 113.70 116.81 2bc3 s SER 136 Ca 0.62 -0.27 0.31 0.00 0.70 0.00 0.00 55.95 57.31 2bc3 s SER 136 Cb -0.16 -0.78 1.63 0.00 -1.71 0.00 0.00 66.02 64.99 2bc3 s SER 136 CO 0.55 -0.85 2.13 0.00 1.20 0.00 0.00 173.24 176.28 2bc3 h ALA 137 N 0.49 1.25 -0.38 5.45 0.00 -1.98 2.87 119.26 126.96 2bc3 h ALA 137 Ca -0.41 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2bc3 h ALA 137 Cb 1.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2bc3 h ALA 137 CO 0.48 0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.82 2bc3 n ALA 138 N -2.24 -0.43 0.56 0.00 0.00 -1.26 0.20 120.51 117.34 2bc3 n ALA 138 Ca -0.02 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.49 2bc3 n ALA 138 Cb 0.20 0.00 0.33 0.00 0.00 0.00 0.00 19.45 19.99 2bc3 n ALA 138 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2bc3 n SER 139 N -1.82 0.00 -0.11 0.00 3.41 -1.11 0.89 113.62 114.88 2bc3 n SER 139 Ca 0.00 0.41 0.13 0.00 -0.26 0.00 0.00 58.87 59.15 2bc3 n SER 139 Cb 0.00 -0.46 0.32 0.00 -0.26 0.00 0.00 64.21 63.81 2bc3 n SER 139 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2bc3 n ILE 140 N -1.46 0.00 0.00 -1.33 3.06 0.96 -3.60 119.36 116.99 2bc3 n ILE 140 Ca 0.04 -0.06 0.00 0.00 -2.50 0.00 0.00 62.75 60.23 2bc3 n ILE 140 Cb 0.17 0.30 0.00 0.00 0.54 0.00 0.00 39.64 40.64 2bc3 n ILE 140 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 2bc3 n ASP 141 N -1.10 1.74 0.00 9.51 10.43 0.13 -4.26 116.55 132.99 2bc3 n ASP 141 Ca 0.09 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.45 2bc3 n ASP 141 Cb 0.34 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.30 2bc3 n ASP 141 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2bc3 n ALA 142 N -2.39 0.00 -0.09 2.24 0.00 0.26 0.29 120.51 120.82 2bc3 n ALA 142 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 2bc3 n ALA 142 Cb 0.33 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.89 2bc3 n ALA 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bc3 n ALA 143 N -3.00 0.27 -0.01 0.00 0.00 -1.24 1.11 120.51 117.64 2bc3 n ALA 143 Ca 0.00 0.09 -0.09 0.00 0.00 0.00 0.00 53.44 53.45 2bc3 n ALA 143 Cb 0.00 -0.16 0.07 0.00 0.00 0.00 0.00 19.45 19.36 2bc3 n ALA 143 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2bc3 h LYS 144 N 0.00 0.59 0.00 0.00 3.64 -0.70 -2.06 116.57 118.04 2bc3 h LYS 144 Ca 0.13 -0.33 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 2bc3 h LYS 144 Cb 0.57 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 2bc3 h LYS 144 CO -0.00 0.93 0.00 1.63 -2.27 0.00 0.00 179.45 179.74 2bc3 n LYS 145 N -4.00 0.18 0.00 1.90 5.02 8.23 -3.04 118.16 126.45 2bc3 n LYS 145 Ca -0.02 0.16 0.12 0.00 -2.02 0.00 0.00 58.31 56.55 2bc3 n LYS 145 Cb 0.56 -1.71 0.62 0.00 -0.02 0.00 0.00 35.03 34.48 2bc3 n LYS 145 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2bc3 n ALA 146 N -1.70 2.25 0.00 7.82 0.00 -0.21 -4.91 120.51 123.76 2bc3 n ALA 146 Ca 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2bc3 n ALA 146 Cb 0.39 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 0.81 0.00 3.78 0.00 0.00 -1.17 -5.04 105.19 103.57 2bc3 n GLY 147 Ca 0.12 -0.75 -0.33 0.00 0.00 0.00 0.00 46.02 45.06 2bc3 n GLY 147 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bc3 s VAL 148 N 0.00 3.48 -0.30 1.61 0.11 -1.25 -4.95 120.40 119.10 2bc3 s VAL 148 Ca 0.00 0.65 0.16 0.00 -2.93 0.00 0.00 61.98 59.86 2bc3 s VAL 148 Cb 0.00 -3.19 0.48 0.00 -1.53 0.00 0.00 36.38 32.14 2bc3 s VAL 148 CO 0.00 -0.46 1.10 0.59 -3.33 0.00 0.00 175.10 173.00 2bc3 n ASN 149 N -2.47 2.68 -4.77 3.54 4.13 -1.26 -5.09 115.26 112.01 2bc3 n ASN 149 Ca 0.10 -2.74 -0.41 0.00 1.68 0.00 0.00 54.58 53.21 2bc3 n ASN 149 Cb 0.52 -0.45 -0.01 0.00 -1.54 0.00 0.00 39.78 38.30 2bc3 n ASN 149 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2bc3 s ASN 150 N -3.61 6.53 -0.16 6.41 4.22 -1.26 -4.57 114.94 122.50 2bc3 s ASN 150 Ca 0.35 2.87 0.07 0.00 -2.14 0.00 0.00 52.86 54.01 2bc3 s ASN 150 Cb 0.38 -2.65 0.46 0.00 1.28 0.00 0.00 41.25 40.71 2bc3 s ASN 150 CO -0.02 -0.75 1.27 0.61 -2.04 0.00 0.00 177.10 176.17 2bc3 n GLY 151 N 1.01 2.53 3.60 0.45 0.00 -1.26 -4.86 105.19 106.66 2bc3 n GLY 151 Ca 0.02 -0.55 -0.39 0.00 0.00 0.00 0.00 46.02 45.10 2bc3 n GLY 151 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2bc3 s ASN 152 N -0.43 6.30 0.74 1.61 2.47 -1.26 -4.80 114.94 119.57 2bc3 s ASN 152 Ca 0.32 0.31 -0.14 0.00 0.42 0.00 0.00 52.86 53.77 2bc3 s ASN 152 Cb 0.25 -2.23 0.04 0.00 -1.45 0.00 0.00 41.25 37.86 2bc3 s ASN 152 CO 0.09 -0.23 1.15 -2.16 -3.72 0.00 0.00 177.10 172.22 2bc3 s PRO 153 N 2.15 2.22 0.12 0.43 0.04 -1.26 -4.89 135.00 133.81 2bc3 s PRO 153 Ca 0.17 1.52 -0.32 0.00 0.04 0.00 0.00 61.00 62.41 2bc3 s PRO 153 Cb -0.16 -1.87 -0.09 0.00 0.04 0.00 0.00 34.50 32.42 2bc3 s PRO 153 CO 0.10 -1.73 1.57 1.37 0.04 0.00 0.00 177.00 178.35 2bc3 h LEU 154 N -0.53 -1.52 -7.58 -3.56 -0.00 -1.99 -2.74 115.31 97.40 2bc3 h LEU 154 Ca -0.46 0.19 -0.30 0.00 -0.00 0.00 0.00 57.88 57.30 2bc3 h LEU 154 Cb 1.27 0.60 0.04 0.00 -0.00 0.00 0.00 40.66 42.57 2bc3 h LEU 154 CO 0.50 -0.47 0.86 0.47 -0.00 0.00 0.00 178.44 179.81 2bc3 n ASP 155 N -5.44 1.74 0.00 0.17 9.92 -1.26 -5.20 116.55 116.48 2bc3 n ASP 155 Ca -0.05 -2.56 0.00 0.00 -0.53 0.00 0.00 54.79 51.65 2bc3 n ASP 155 Cb 0.38 -1.34 0.00 0.00 -0.64 0.00 0.00 41.12 39.52 2bc3 n ASP 155 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33