#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rtd h GLU 14 N 0.00 0.17 -0.40 0.00 -0.00 -1.88 -2.21 114.58 110.26 2rtd h GLU 14 Ca 0.00 -0.01 0.03 0.00 -0.00 0.00 0.00 59.36 59.38 2rtd h GLU 14 Cb 0.00 -0.04 -0.03 0.00 -0.00 0.00 0.00 28.75 28.68 2rtd h GLU 14 CO 0.00 0.11 0.20 0.00 -0.00 0.00 0.00 179.01 179.32 2rtd h ALA 15 N 1.09 0.49 -0.50 1.06 0.00 -1.92 0.32 119.26 119.80 2rtd h ALA 15 Ca 0.07 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2rtd h ALA 15 Cb 0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2rtd h ALA 15 CO -0.05 -0.16 0.11 0.78 0.00 0.00 0.00 179.25 179.93 2rtd h GLY 16 N 0.41 0.82 1.37 0.00 0.00 -1.97 -3.07 103.07 100.62 2rtd h GLY 16 Ca 0.17 -0.47 -0.27 0.00 0.00 0.00 0.00 47.33 46.75 2rtd h GLY 16 CO -0.12 0.44 -1.15 -2.22 0.00 0.00 0.00 176.54 173.50 2rtd h ILE 17 N 0.74 1.34 -3.21 2.60 2.04 -0.92 -3.45 117.51 116.64 2rtd h ILE 17 Ca 0.16 -2.51 -0.56 0.00 1.00 0.00 0.00 64.86 62.95 2rtd h ILE 17 Cb 0.29 2.62 0.09 0.00 -0.74 0.00 0.00 36.82 39.09 2rtd h ILE 17 CO 0.00 0.76 0.70 0.41 0.00 0.00 0.00 178.15 180.02 2rtd n THR 18 N -3.75 1.38 -1.14 -0.27 -1.04 0.06 -4.81 114.28 104.71 2rtd n THR 18 Ca -0.11 -0.34 0.00 0.00 -2.04 0.00 0.00 64.05 61.56 2rtd n THR 18 Cb 0.94 -1.74 0.00 0.00 -1.82 0.00 0.00 70.33 67.72 2rtd n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2rtd n GLY 19 N 1.58 0.38 3.52 3.41 0.00 -0.84 -4.95 105.19 108.29 2rtd n GLY 19 Ca 0.07 -1.70 -0.34 0.00 0.00 0.00 0.00 46.02 44.05 2rtd n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2rtd s THR 20 N -2.47 3.69 0.08 2.61 2.01 -1.26 -2.03 115.64 118.27 2rtd s THR 20 Ca 0.00 -0.46 0.04 0.00 0.31 0.00 0.00 61.69 61.58 2rtd s THR 20 Cb 0.00 -2.56 -0.03 0.00 0.01 0.00 0.00 72.50 69.92 2rtd s THR 20 CO 0.00 0.55 -0.11 0.26 -0.69 0.00 0.00 174.62 174.63 2rtd s TRP 21 N -0.20 1.06 0.10 4.92 0.52 0.07 -1.50 118.94 123.91 2rtd s TRP 21 Ca 0.03 -0.55 0.03 0.00 0.02 0.00 0.00 56.10 55.63 2rtd s TRP 21 Cb -0.13 -0.59 -0.04 0.00 -1.15 0.00 0.00 33.47 31.56 2rtd s TRP 21 CO 0.03 0.01 -0.09 0.71 0.02 0.00 0.00 176.95 177.63 2rtd s TYR 22 N -1.83 1.03 0.45 -1.98 2.02 -0.62 -1.13 117.35 115.28 2rtd s TYR 22 Ca 0.00 -0.71 0.03 0.00 -0.37 0.00 0.00 57.07 56.03 2rtd s TYR 22 Cb -0.07 -0.57 -0.04 0.00 -0.40 0.00 0.00 41.96 40.89 2rtd s TYR 22 CO 0.01 -0.02 0.03 0.54 -1.57 0.00 0.00 175.55 174.54 2rtd s ASN 23 N -2.59 3.66 0.66 2.29 2.20 -1.04 -0.43 114.94 119.68 2rtd s ASN 23 Ca 0.07 -1.57 0.32 0.00 -0.94 0.00 0.00 52.86 50.74 2rtd s ASN 23 Cb -0.01 0.25 1.72 0.00 -2.00 0.00 0.00 41.25 41.22 2rtd s ASN 23 CO -0.01 -0.75 1.98 0.06 -2.94 0.00 0.00 177.10 175.44 2rtd h GLN 24 N 1.60 0.00 0.00 3.55 -0.00 -1.91 -0.26 115.11 118.09 2rtd h GLN 24 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.23 2rtd h GLN 24 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.76 2rtd h GLN 24 CO 0.72 0.00 -0.62 1.28 -0.00 0.00 0.00 178.83 180.21 2rtd n LEU 25 N -3.01 0.69 0.00 0.06 4.77 -1.26 -4.94 117.00 113.31 2rtd n LEU 25 Ca -0.01 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 2rtd n LEU 25 Cb 0.36 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 2rtd n LEU 25 CO 0.16 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.78 2rtd n GLY 26 N 1.34 0.93 3.88 -0.72 0.00 -0.11 -4.75 105.19 105.77 2rtd n GLY 26 Ca 0.03 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 2rtd n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rtd s SER 27 N -2.10 6.38 -0.06 1.61 0.01 -1.26 -4.48 113.70 113.80 2rtd s SER 27 Ca 0.00 1.19 0.05 0.00 1.31 0.00 0.00 55.95 58.50 2rtd s SER 27 Cb 0.00 -2.36 -0.02 0.00 0.21 0.00 0.00 66.02 63.86 2rtd s SER 27 CO 0.00 -0.60 -0.21 -0.89 0.41 0.00 0.00 173.24 171.95 2rtd s THR 28 N -2.72 2.41 -0.11 1.44 2.01 0.45 -2.50 115.64 116.63 2rtd s THR 28 Ca 0.52 -0.94 -0.01 0.00 0.31 0.00 0.00 61.69 61.57 2rtd s THR 28 Cb -0.10 -1.91 0.03 0.00 0.01 0.00 0.00 72.50 70.53 2rtd s THR 28 CO 0.41 0.57 -0.06 0.12 -0.69 0.00 0.00 174.62 174.98 2rtd s PHE 29 N -0.32 1.34 -0.17 4.92 5.36 -0.29 -0.48 117.98 128.33 2rtd s PHE 29 Ca 0.02 -0.65 -0.01 0.00 -0.96 0.00 0.00 56.93 55.33 2rtd s PHE 29 Cb -0.13 -1.15 -0.00 0.00 -0.34 0.00 0.00 43.02 41.40 2rtd s PHE 29 CO 0.02 -0.49 -0.13 0.42 -1.46 0.00 0.00 175.22 173.58 2rtd s ILE 30 N 1.76 2.76 0.07 3.12 1.01 -0.39 -0.75 121.20 128.77 2rtd s ILE 30 Ca 0.05 -0.72 -0.04 0.00 0.00 0.00 0.00 60.65 59.93 2rtd s ILE 30 Cb -0.13 -2.19 -0.02 0.00 0.01 0.00 0.00 42.46 40.13 2rtd s ILE 30 CO -0.08 0.50 0.07 0.54 0.00 0.00 0.00 174.94 175.97 2rtd s VAL 31 N 1.03 0.18 -0.03 2.92 0.11 -0.86 -1.52 120.40 122.24 2rtd s VAL 31 Ca -0.01 -1.52 0.02 0.00 -2.93 0.00 0.00 61.98 57.54 2rtd s VAL 31 Cb -0.15 -1.41 0.01 0.00 -1.53 0.00 0.00 36.38 33.30 2rtd s VAL 31 CO -0.03 -0.84 -0.07 -0.89 -3.33 0.00 0.00 175.10 169.94 2rtd s THR 32 N -3.83 0.63 -0.22 5.04 2.01 -0.33 -1.99 115.64 116.95 2rtd s THR 32 Ca 0.06 -0.26 -0.08 0.00 0.31 0.00 0.00 61.69 61.72 2rtd s THR 32 Cb 0.06 -0.58 -0.04 0.00 0.01 0.00 0.00 72.50 71.95 2rtd s THR 32 CO -0.10 0.21 0.07 0.00 -0.69 0.00 0.00 174.62 174.11 2rtd s ALA 33 N 0.33 3.31 0.38 7.40 0.00 -1.26 -1.69 121.76 130.23 2rtd s ALA 33 Ca -0.05 -0.93 -0.06 0.00 0.00 0.00 0.00 51.96 50.92 2rtd s ALA 33 Cb -0.09 -2.02 -0.05 0.00 0.00 0.00 0.00 23.12 20.96 2rtd s ALA 33 CO 0.00 -0.15 0.68 0.20 0.00 0.00 0.00 175.76 176.49 2rtd s GLY 34 N 0.99 1.75 0.20 0.00 0.00 0.15 -4.80 107.32 105.61 2rtd s GLY 34 Ca 0.04 -0.46 0.15 0.00 0.00 0.00 0.00 44.72 44.45 2rtd s GLY 34 CO 0.03 -0.32 1.46 0.00 0.00 0.00 0.00 173.10 174.27 2rtd n ALA 35 N -1.45 1.14 1.12 3.20 0.00 -1.26 -1.19 120.51 122.07 2rtd n ALA 35 Ca -0.00 0.11 0.10 0.00 0.00 0.00 0.00 53.44 53.65 2rtd n ALA 35 Cb 0.54 -1.23 0.33 0.00 0.00 0.00 0.00 19.45 19.10 2rtd n ALA 35 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2rtd n ASP 36 N -1.99 1.80 0.00 0.00 5.68 -1.26 -4.87 116.55 115.91 2rtd n ASP 36 Ca -0.00 -1.77 0.00 0.00 -0.50 0.00 0.00 54.79 52.52 2rtd n ASP 36 Cb 0.05 -0.13 0.00 0.00 -1.14 0.00 0.00 41.12 39.90 2rtd n ASP 36 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2rtd n GLY 37 N 1.14 0.77 3.92 6.12 0.00 -0.33 -4.94 105.19 111.87 2rtd n GLY 37 Ca 0.16 -0.06 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 2rtd n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rtd s ALA 38 N -2.00 3.67 -0.04 4.61 0.00 -1.21 -1.27 121.76 125.52 2rtd s ALA 38 Ca 0.00 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.30 2rtd s ALA 38 Cb 0.00 -2.22 0.02 0.00 0.00 0.00 0.00 23.12 20.93 2rtd s ALA 38 CO 0.00 0.21 -0.05 -0.51 0.00 0.00 0.00 175.76 175.41 2rtd s LEU 39 N -3.70 1.35 0.04 0.00 1.43 -0.71 0.32 118.68 117.41 2rtd s LEU 39 Ca 0.42 -0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.39 2rtd s LEU 39 Cb -0.10 -0.45 -0.03 0.00 0.03 0.00 0.00 46.19 45.63 2rtd s LEU 39 CO 0.31 -0.05 -0.04 -0.89 0.23 0.00 0.00 176.35 175.91 2rtd s THR 40 N 0.89 0.25 -3.23 5.49 2.01 -0.68 -1.68 115.64 118.69 2rtd s THR 40 Ca -0.12 -1.25 0.00 0.00 0.31 0.00 0.00 61.69 60.63 2rtd s THR 40 Cb -0.14 -0.75 0.00 0.00 0.01 0.00 0.00 72.50 71.61 2rtd s THR 40 CO 0.00 -0.64 0.00 0.61 -0.69 0.00 0.00 174.62 173.90 2rtd n GLY 41 N 1.06 -0.52 3.14 4.40 0.00 -0.91 -1.19 105.19 111.17 2rtd n GLY 41 Ca -0.20 -0.91 -0.12 0.00 0.00 0.00 0.00 46.02 44.79 2rtd n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2rtd s THR 42 N -3.07 0.67 -0.01 2.61 -4.23 -0.57 -1.64 115.64 109.40 2rtd s THR 42 Ca 0.00 -1.64 0.03 0.00 -1.18 0.00 0.00 61.69 58.90 2rtd s THR 42 Cb 0.00 -1.32 -0.01 0.00 1.34 0.00 0.00 72.50 72.51 2rtd s THR 42 CO 0.00 -0.69 -0.10 -0.47 -0.54 0.00 0.00 174.62 172.82 2rtd s TYR 43 N -2.82 0.89 -0.11 3.99 6.14 0.07 -1.26 117.35 124.25 2rtd s TYR 43 Ca 0.04 -0.18 0.00 0.00 0.64 0.00 0.00 57.07 57.58 2rtd s TYR 43 Cb -0.00 -0.57 0.02 0.00 0.42 0.00 0.00 41.96 41.83 2rtd s TYR 43 CO -0.03 -0.01 -0.10 -2.00 0.64 0.00 0.00 175.55 174.05 2rtd s GLU 44 N -0.28 1.71 -0.15 4.97 2.12 0.37 -1.61 118.70 125.82 2rtd s GLU 44 Ca 0.04 -0.35 -0.08 0.00 0.36 0.00 0.00 54.97 54.94 2rtd s GLU 44 Cb -0.04 -1.63 -0.04 0.00 0.26 0.00 0.00 34.13 32.68 2rtd s GLU 44 CO -0.00 -0.18 0.14 0.45 -0.54 0.00 0.00 175.26 175.12 2rtd s SER 45 N 1.39 6.32 0.29 -1.70 0.15 -1.26 -0.41 113.70 118.48 2rtd s SER 45 Ca -0.00 0.38 0.25 0.00 0.70 0.00 0.00 55.95 57.28 2rtd s SER 45 Cb -0.13 -2.08 0.65 0.00 -1.71 0.00 0.00 66.02 62.75 2rtd s SER 45 CO -0.05 0.32 1.72 0.00 1.20 0.00 0.00 173.24 176.43 2rtd h ALA 46 N 5.62 1.00 -2.21 5.45 0.00 -1.86 -3.46 119.26 123.81 2rtd h ALA 46 Ca -0.50 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.04 2rtd h ALA 46 Cb 1.20 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.85 2rtd h ALA 46 CO 0.65 0.00 -0.67 0.14 0.00 0.00 0.00 179.25 179.37 2rtd s VAL 47 N -3.14 1.08 0.00 0.00 -7.23 -1.26 -5.02 120.40 104.82 2rtd s VAL 47 Ca 0.09 -2.04 0.00 0.00 -1.81 0.00 0.00 61.98 58.22 2rtd s VAL 47 Cb 0.10 -2.24 0.00 0.00 0.56 0.00 0.00 36.38 34.80 2rtd s VAL 47 CO 0.62 -0.41 0.00 0.61 -0.31 0.00 0.00 175.10 175.61 2rtd n GLY 48 N -0.37 -2.96 3.05 2.32 0.00 -1.26 -4.57 105.19 101.40 2rtd n GLY 48 Ca -0.06 -1.96 -0.43 0.00 0.00 0.00 0.00 46.02 43.57 2rtd n GLY 48 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2rtd n ASN 49 N -0.02 5.14 -3.81 1.61 5.15 -1.26 -4.87 115.26 117.19 2rtd n ASN 49 Ca 0.00 -3.07 -0.11 0.00 -0.60 0.00 0.00 54.58 50.80 2rtd n ASN 49 Cb 0.00 -1.51 -0.08 0.00 -0.53 0.00 0.00 39.78 37.66 2rtd n ASN 49 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2rtd s ALA 50 N 0.73 -0.49 -0.28 5.20 0.00 -1.26 -4.58 121.76 121.08 2rtd s ALA 50 Ca 0.41 -0.14 -0.22 0.00 0.00 0.00 0.00 51.96 52.01 2rtd s ALA 50 Cb 0.06 0.27 0.08 0.00 0.00 0.00 0.00 23.12 23.53 2rtd s ALA 50 CO 0.00 -0.36 0.75 -1.83 0.00 0.00 0.00 175.76 174.32 2rtd s GLU 51 N -2.42 0.74 2.09 0.00 -1.05 -1.26 -4.99 118.70 111.81 2rtd s GLU 51 Ca -0.06 1.02 0.00 0.00 -0.15 0.00 0.00 54.97 55.78 2rtd s GLU 51 Cb -0.02 0.29 0.00 0.00 -0.44 0.00 0.00 34.13 33.97 2rtd s GLU 51 CO -0.03 -0.11 0.00 0.45 0.95 0.00 0.00 175.26 176.52 2rtd n SER 52 N 3.22 -1.53 -4.92 0.83 2.88 -1.26 -4.77 113.62 108.07 2rtd n SER 52 Ca -0.16 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.11 2rtd n SER 52 Cb 0.56 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.00 2rtd n SER 52 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 2rtd s ARG 53 N 0.00 3.57 0.05 -1.46 0.52 -1.26 -4.55 118.95 115.81 2rtd s ARG 53 Ca 0.00 -0.12 0.03 0.00 -0.52 0.00 0.00 55.73 55.12 2rtd s ARG 53 Cb 0.00 -2.65 -0.02 0.00 0.52 0.00 0.00 34.95 32.80 2rtd s ARG 53 CO 0.00 0.18 -0.10 0.71 0.02 0.00 0.00 175.30 176.11 2rtd s TYR 54 N -2.19 0.90 0.37 -0.53 1.51 -0.63 -4.88 117.35 111.90 2rtd s TYR 54 Ca 0.42 -0.43 -0.24 0.00 -1.01 0.00 0.00 57.07 55.82 2rtd s TYR 54 Cb -0.10 -0.53 -0.10 0.00 -0.11 0.00 0.00 41.96 41.12 2rtd s TYR 54 CO 0.33 -0.02 0.97 0.08 -1.11 0.00 0.00 175.55 175.80 2rtd s VAL 55 N -1.15 4.16 0.02 0.71 1.01 -1.26 -0.76 120.40 123.13 2rtd s VAL 55 Ca -0.05 1.61 0.01 0.00 0.00 0.00 0.00 61.98 63.56 2rtd s VAL 55 Cb -0.09 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 2rtd s VAL 55 CO 0.01 -0.03 -0.05 -1.48 0.00 0.00 0.00 175.10 173.55 2rtd s LEU 56 N -2.53 2.16 0.03 3.92 0.05 -0.65 -4.42 118.68 117.24 2rtd s LEU 56 Ca 0.55 -0.36 0.01 0.00 0.05 0.00 0.00 54.13 54.39 2rtd s LEU 56 Cb -0.16 -0.11 -0.02 0.00 -2.05 0.00 0.00 46.19 43.85 2rtd s LEU 56 CO 0.21 -0.14 -0.05 0.28 -0.55 0.00 0.00 176.35 176.11 2rtd s THR 57 N -0.92 0.32 0.03 5.48 -1.32 -1.12 -2.14 115.64 115.98 2rtd s THR 57 Ca -0.07 -0.88 -0.03 0.00 -1.21 0.00 0.00 61.69 59.49 2rtd s THR 57 Cb -0.07 -0.41 0.01 0.00 -1.51 0.00 0.00 72.50 70.52 2rtd s THR 57 CO -0.00 -0.37 0.16 0.61 -2.21 0.00 0.00 174.62 172.81 2rtd n GLY 58 N 1.72 1.21 3.15 6.08 0.00 -0.67 -0.85 105.19 115.82 2rtd n GLY 58 Ca -0.22 -0.96 -0.09 0.00 0.00 0.00 0.00 46.02 44.76 2rtd n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2rtd s ARG 59 N -2.01 0.70 0.23 1.61 1.81 -0.80 -1.74 118.95 118.75 2rtd s ARG 59 Ca 0.04 -0.95 -0.06 0.00 -1.72 0.00 0.00 55.73 53.03 2rtd s ARG 59 Cb -0.00 0.27 -0.02 0.00 -0.45 0.00 0.00 34.95 34.74 2rtd s ARG 59 CO 0.01 -0.19 0.31 1.52 -0.68 0.00 0.00 175.30 176.27 2rtd s TYR 60 N -3.45 0.80 -0.59 -0.53 1.13 -0.40 -2.16 117.35 112.15 2rtd s TYR 60 Ca 0.02 -1.08 -0.24 0.00 -1.41 0.00 0.00 57.07 54.37 2rtd s TYR 60 Cb 0.04 -0.19 0.05 0.00 -1.10 0.00 0.00 41.96 40.75 2rtd s TYR 60 CO -0.09 -0.83 0.95 0.34 -2.51 0.00 0.00 175.55 173.41 2rtd s ASP 61 N -3.10 6.28 0.19 -0.18 3.68 -0.73 -4.64 116.67 118.16 2rtd s ASP 61 Ca 0.31 -0.57 -0.12 0.00 2.13 0.00 0.00 52.55 54.30 2rtd s ASP 61 Cb 0.03 -2.43 0.15 0.00 -1.45 0.00 0.00 42.92 39.22 2rtd s ASP 61 CO 0.11 -1.30 1.81 0.77 0.13 0.00 0.00 175.17 176.69 2rtd h SER 62 N 9.40 0.50 -3.63 -0.34 4.64 -1.91 -3.25 113.55 118.95 2rtd h SER 62 Ca -0.27 0.02 -0.74 0.00 -0.47 0.00 0.00 61.79 60.32 2rtd h SER 62 Cb 1.07 -0.08 -0.32 0.00 -0.31 0.00 0.00 62.40 62.76 2rtd h SER 62 CO 1.12 0.34 0.04 0.00 -0.87 0.00 0.00 176.83 177.46 2rtd s ALA 63 N -6.13 4.24 0.97 5.18 0.00 -1.26 -4.71 121.76 120.05 2rtd s ALA 63 Ca -0.13 -3.65 0.00 0.00 0.00 0.00 0.00 51.96 48.18 2rtd s ALA 63 Cb 0.14 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 20.14 2rtd s ALA 63 CO 0.75 -2.18 0.00 -0.35 0.00 0.00 0.00 175.76 173.97 2rtd n PRO 64 N 2.92 1.36 -4.23 0.00 -0.04 -1.23 -5.04 135.00 128.75 2rtd n PRO 64 Ca 0.18 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.34 2rtd n PRO 64 Cb 0.40 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.76 2rtd n PRO 64 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2rtd s ALA 65 N -2.03 3.14 -1.40 0.55 0.00 -1.26 -5.01 121.76 115.74 2rtd s ALA 65 Ca 0.00 -1.13 -0.14 0.00 0.00 0.00 0.00 51.96 50.68 2rtd s ALA 65 Cb 0.00 -1.09 0.06 0.00 0.00 0.00 0.00 23.12 22.09 2rtd s ALA 65 CO 0.00 0.66 2.07 0.25 0.00 0.00 0.00 175.76 178.75 2rtd n THR 66 N 0.83 3.66 -3.07 0.00 -2.24 -1.26 -4.69 114.28 107.51 2rtd n THR 66 Ca -0.13 -3.42 -0.00 0.00 -2.27 0.00 0.00 64.05 58.24 2rtd n THR 66 Cb 0.52 -2.53 0.00 0.00 -2.10 0.00 0.00 70.33 66.22 2rtd n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2rtd n ASP 67 N 6.35 -0.04 -3.26 3.42 5.68 -1.26 -5.02 116.55 122.42 2rtd n ASP 67 Ca 0.50 -1.03 -0.38 0.00 -0.50 0.00 0.00 54.79 53.38 2rtd n ASP 67 Cb 0.40 0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.46 2rtd n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2rtd n GLY 68 N -0.01 5.44 3.86 6.12 0.00 -1.26 -4.91 105.19 114.43 2rtd n GLY 68 Ca -0.00 -2.28 -0.21 0.00 0.00 0.00 0.00 46.02 43.53 2rtd n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rtd s SER 69 N -0.48 5.30 0.56 1.61 0.01 -1.26 -5.11 113.70 114.33 2rtd s SER 69 Ca 0.49 -0.50 0.00 0.00 1.31 0.00 0.00 55.95 57.25 2rtd s SER 69 Cb 0.27 -0.94 0.03 0.00 0.21 0.00 0.00 66.02 65.59 2rtd s SER 69 CO -0.19 -0.39 0.80 -0.83 0.41 0.00 0.00 173.24 173.03 2rtd s GLY 70 N -4.02 1.80 -0.24 3.44 0.00 -1.26 -4.91 107.32 102.12 2rtd s GLY 70 Ca 0.42 -1.27 -0.09 0.00 0.00 0.00 0.00 44.72 43.78 2rtd s GLY 70 CO 0.27 -0.97 0.12 -1.59 0.00 0.00 0.00 173.10 170.93 2rtd s THR 71 N -2.81 4.93 0.33 0.90 2.01 0.20 -4.79 115.64 116.43 2rtd s THR 71 Ca 0.57 0.03 -0.26 0.00 0.31 0.00 0.00 61.69 62.35 2rtd s THR 71 Cb -0.10 -3.30 -0.10 0.00 0.01 0.00 0.00 72.50 69.01 2rtd s THR 71 CO 0.39 0.35 0.95 0.00 -0.69 0.00 0.00 174.62 175.62 2rtd s ALA 72 N 1.22 3.19 0.29 7.40 0.00 -1.26 -0.64 121.76 131.95 2rtd s ALA 72 Ca 0.06 0.52 -0.20 0.00 0.00 0.00 0.00 51.96 52.34 2rtd s ALA 72 Cb -0.14 -3.18 0.03 0.00 0.00 0.00 0.00 23.12 19.83 2rtd s ALA 72 CO 0.05 0.16 0.77 -0.48 0.00 0.00 0.00 175.76 176.26 2rtd s LEU 73 N -2.17 -0.18 -0.03 0.00 0.05 -0.87 -1.77 118.68 113.71 2rtd s LEU 73 Ca 0.51 -0.71 -0.29 0.00 0.05 0.00 0.00 54.13 53.69 2rtd s LEU 73 Cb -0.18 2.67 0.10 0.00 -2.05 0.00 0.00 46.19 46.74 2rtd s LEU 73 CO 0.23 -1.37 0.88 -0.83 -0.55 0.00 0.00 176.35 174.71 2rtd s GLY 74 N -2.97 -0.45 0.15 -3.48 0.00 -0.92 -1.81 107.32 97.84 2rtd s GLY 74 Ca 0.12 1.18 -0.16 0.00 0.00 0.00 0.00 44.72 45.86 2rtd s GLY 74 CO 0.07 0.48 0.44 0.66 0.00 0.00 0.00 173.10 174.75 2rtd s TRP 75 N -2.70 -0.16 0.08 1.90 -2.14 -0.91 -1.91 118.94 113.11 2rtd s TRP 75 Ca 0.03 -0.16 0.08 0.00 2.66 0.00 0.00 56.10 58.70 2rtd s TRP 75 Cb -0.01 0.29 -0.03 0.00 -3.10 0.00 0.00 33.47 30.62 2rtd s TRP 75 CO -0.06 -0.77 -0.20 0.99 -2.66 0.00 0.00 176.95 174.25 2rtd s THR 76 N -3.83 1.64 -0.06 0.66 2.01 -0.03 -1.37 115.64 114.66 2rtd s THR 76 Ca 0.05 -1.43 -0.01 0.00 0.31 0.00 0.00 61.69 60.61 2rtd s THR 76 Cb 0.01 -1.48 0.03 0.00 0.01 0.00 0.00 72.50 71.07 2rtd s THR 76 CO -0.09 -0.01 0.01 -0.69 -0.69 0.00 0.00 174.62 173.15 2rtd s VAL 77 N -1.07 0.28 -0.18 3.82 1.01 -0.80 -2.78 120.40 120.67 2rtd s VAL 77 Ca 0.06 0.14 -0.09 0.00 0.00 0.00 0.00 61.98 62.09 2rtd s VAL 77 Cb -0.10 -0.43 -0.05 0.00 0.00 0.00 0.00 36.38 35.81 2rtd s VAL 77 CO 0.03 0.22 0.12 0.00 0.00 0.00 0.00 175.10 175.48 2rtd s ALA 78 N 1.75 3.67 -1.40 5.51 0.00 -1.26 -1.04 121.76 128.98 2rtd s ALA 78 Ca 0.01 -0.69 -0.07 0.00 0.00 0.00 0.00 51.96 51.20 2rtd s ALA 78 Cb -0.13 -2.09 0.02 0.00 0.00 0.00 0.00 23.12 20.92 2rtd s ALA 78 CO -0.04 0.23 2.68 0.91 0.00 0.00 0.00 175.76 179.54 2rtd n TRP 79 N 3.30 2.44 -4.05 0.00 7.02 -0.25 -4.80 117.44 121.10 2rtd n TRP 79 Ca -0.17 -2.89 -0.17 0.00 -1.02 0.00 0.00 57.50 53.25 2rtd n TRP 79 Cb 0.52 -2.11 -0.16 0.00 -2.42 0.00 0.00 31.31 27.15 2rtd n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 2rtd s LYS 80 N 0.31 0.48 0.00 -0.99 2.20 -1.26 -0.29 119.74 120.18 2rtd s LYS 80 Ca 0.61 -0.04 0.00 0.00 -0.36 0.00 0.00 55.97 56.19 2rtd s LYS 80 Cb 0.19 -0.56 0.00 0.00 -1.51 0.00 0.00 37.83 35.96 2rtd s LYS 80 CO -0.08 -0.06 0.00 0.27 -0.36 0.00 0.00 175.35 175.12 2rtd n ASN 81 N 3.81 0.00 0.26 1.43 0.23 -0.10 -4.82 115.26 116.06 2rtd n ASN 81 Ca -0.23 -0.95 0.17 0.00 -0.53 0.00 0.00 54.58 53.04 2rtd n ASN 81 Cb 0.52 0.00 0.73 0.00 -2.08 0.00 0.00 39.78 38.95 2rtd n ASN 81 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 2rtd h ASN 82 N 0.00 0.00 0.00 0.53 -0.26 -1.95 -3.26 115.58 110.64 2rtd h ASN 82 Ca 0.00 0.00 -0.35 0.00 -0.56 0.00 0.00 56.30 55.39 2rtd h ASN 82 Cb 0.00 0.00 -0.07 0.00 -1.06 0.00 0.00 38.32 37.19 2rtd h ASN 82 CO 0.00 0.00 -2.33 -1.22 -1.06 0.00 0.00 177.43 172.82 2rtd n TYR 83 N -2.91 0.00 -3.88 1.19 4.01 -1.26 -5.03 117.16 109.28 2rtd n TYR 83 Ca 0.00 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.64 2rtd n TYR 83 Cb 0.25 -0.94 -0.09 0.00 -0.31 0.00 0.00 39.34 38.26 2rtd n TYR 83 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 2rtd s ARG 84 N -2.47 0.64 -0.23 -0.72 3.52 -1.23 -5.06 118.95 113.40 2rtd s ARG 84 Ca -0.18 -0.66 -0.02 0.00 -0.13 0.00 0.00 55.73 54.74 2rtd s ARG 84 Cb 0.07 0.26 0.07 0.00 -1.56 0.00 0.00 34.95 33.79 2rtd s ARG 84 CO 0.70 -0.18 0.05 1.21 -0.81 0.00 0.00 175.30 176.27 2rtd s ASN 85 N -2.06 3.33 0.02 -2.12 3.84 -1.26 -0.93 114.94 115.77 2rtd s ASN 85 Ca -0.06 -1.10 0.24 0.00 0.21 0.00 0.00 52.86 52.16 2rtd s ASN 85 Cb -0.01 -0.71 0.25 0.00 -0.55 0.00 0.00 41.25 40.22 2rtd s ASN 85 CO -0.04 -0.33 1.22 0.00 -2.79 0.00 0.00 177.10 175.16 2rtd n ALA 86 N 4.97 3.71 -3.32 1.71 0.00 0.60 -4.96 120.51 123.22 2rtd n ALA 86 Ca -0.07 -0.40 -0.18 0.00 0.00 0.00 0.00 53.44 52.79 2rtd n ALA 86 Cb 0.45 -1.02 0.07 0.00 0.00 0.00 0.00 19.45 18.95 2rtd n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2rtd n HIS 87 N -1.65 -2.16 -4.04 0.00 -0.00 -1.26 -4.89 115.22 101.23 2rtd n HIS 87 Ca 0.04 0.82 -0.10 0.00 -0.00 0.00 0.00 57.72 58.48 2rtd n HIS 87 Cb 0.36 -4.43 -0.08 0.00 -0.00 0.00 0.00 29.99 25.84 2rtd n HIS 87 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 2rtd s SER 88 N -3.61 0.06 -0.06 0.41 1.04 -1.26 -1.56 113.70 108.71 2rtd s SER 88 Ca 0.29 -1.02 -0.09 0.00 0.48 0.00 0.00 55.95 55.61 2rtd s SER 88 Cb -0.13 0.44 0.02 0.00 0.10 0.00 0.00 66.02 66.45 2rtd s SER 88 CO 0.60 -0.92 0.22 0.00 0.98 0.00 0.00 173.24 174.13 2rtd s ALA 89 N -4.03 -0.55 -0.03 5.32 0.00 -0.27 -1.09 121.76 121.12 2rtd s ALA 89 Ca 0.23 0.47 0.07 0.00 0.00 0.00 0.00 51.96 52.73 2rtd s ALA 89 Cb 0.04 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.90 2rtd s ALA 89 CO 0.05 -0.14 -0.23 0.99 0.00 0.00 0.00 175.76 176.42 2rtd s THR 90 N -0.32 1.84 0.01 0.00 2.01 -0.21 -1.35 115.64 117.63 2rtd s THR 90 Ca -0.04 -0.99 0.08 0.00 0.31 0.00 0.00 61.69 61.05 2rtd s THR 90 Cb -0.03 -1.53 -0.02 0.00 0.01 0.00 0.00 72.50 70.92 2rtd s THR 90 CO 0.01 0.52 -0.23 0.42 -0.69 0.00 0.00 174.62 174.65 2rtd s THR 91 N -0.45 1.86 -0.13 -0.82 -4.23 -0.31 -1.91 115.64 109.65 2rtd s THR 91 Ca 0.06 -1.13 0.01 0.00 -1.18 0.00 0.00 61.69 59.45 2rtd s THR 91 Cb -0.10 -1.57 -0.01 0.00 1.34 0.00 0.00 72.50 72.17 2rtd s THR 91 CO -0.00 0.40 -0.17 0.26 -0.54 0.00 0.00 174.62 174.57 2rtd s TRP 92 N -0.67 2.72 -0.05 3.99 0.51 -0.47 -1.63 118.94 123.34 2rtd s TRP 92 Ca 0.09 -0.91 0.06 0.00 -2.12 0.00 0.00 56.10 53.22 2rtd s TRP 92 Cb -0.09 -1.82 -0.01 0.00 -0.81 0.00 0.00 33.47 30.74 2rtd s TRP 92 CO 0.00 -0.37 -0.23 0.45 -0.51 0.00 0.00 176.95 176.30 2rtd s SER 93 N 0.50 2.77 0.00 2.95 0.15 0.10 -2.14 113.70 118.03 2rtd s SER 93 Ca -0.12 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.08 2rtd s SER 93 Cb -0.16 -0.72 0.00 0.00 -1.71 0.00 0.00 66.02 63.43 2rtd s SER 93 CO 0.05 0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.32 2rtd n GLY 94 N 2.96 1.11 3.04 9.45 0.00 -0.75 -1.04 105.19 119.95 2rtd n GLY 94 Ca -0.17 -0.60 -0.09 0.00 0.00 0.00 0.00 46.02 45.15 2rtd n GLY 94 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2rtd s GLN 95 N 1.06 0.41 -0.15 1.61 -0.21 -0.50 -2.06 119.66 119.82 2rtd s GLN 95 Ca 0.00 -0.61 -0.06 0.00 0.02 0.00 0.00 55.36 54.71 2rtd s GLN 95 Cb 0.00 0.15 -0.04 0.00 1.00 0.00 0.00 33.01 34.12 2rtd s GLN 95 CO 0.00 -0.08 0.07 -0.47 -2.12 0.00 0.00 175.29 172.69 2rtd s TYR 96 N -1.72 3.31 -0.23 0.91 5.04 0.18 -1.32 117.35 123.53 2rtd s TYR 96 Ca -0.13 0.21 0.01 0.00 -2.44 0.00 0.00 57.07 54.71 2rtd s TYR 96 Cb -0.07 -1.99 0.06 0.00 0.35 0.00 0.00 41.96 40.30 2rtd s TYR 96 CO -0.01 0.35 -0.06 0.08 -1.34 0.00 0.00 175.55 174.56 2rtd s VAL 97 N -0.19 1.58 0.25 3.14 1.01 -0.05 -0.63 120.40 125.50 2rtd s VAL 97 Ca 0.08 -1.20 -0.02 0.00 0.00 0.00 0.00 61.98 60.83 2rtd s VAL 97 Cb -0.12 -1.80 0.05 0.00 0.00 0.00 0.00 36.38 34.51 2rtd s VAL 97 CO 0.01 -0.05 0.34 0.61 0.00 0.00 0.00 175.10 176.00 2rtd n GLY 98 N 4.66 -0.09 0.00 4.51 0.00 -1.26 -0.92 105.19 112.09 2rtd n GLY 98 Ca -0.12 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.04 2rtd n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rtd n GLY 99 N 2.62 0.77 0.32 -0.02 0.00 -1.26 -4.69 105.19 102.93 2rtd n GLY 99 Ca 0.05 -2.04 -0.07 0.00 0.00 0.00 0.00 46.02 43.96 2rtd n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rtd h ALA 100 N 0.00 0.97 -3.69 4.61 0.00 -2.06 -3.33 119.26 115.76 2rtd h ALA 100 Ca 0.00 -0.26 -0.66 0.00 0.00 0.00 0.00 54.91 53.99 2rtd h ALA 100 Cb 0.00 -0.25 -0.39 0.00 0.00 0.00 0.00 17.79 17.15 2rtd h ALA 100 CO 0.00 0.65 -0.73 -1.21 0.00 0.00 0.00 179.25 177.96 2rtd s GLU 101 N -5.20 1.66 0.13 0.00 2.02 -1.26 -5.09 118.70 110.95 2rtd s GLU 101 Ca -0.11 -1.77 -0.09 0.00 0.02 0.00 0.00 54.97 53.01 2rtd s GLU 101 Cb 0.15 -3.17 -0.06 0.00 0.10 0.00 0.00 34.13 31.15 2rtd s GLU 101 CO 0.84 -0.87 0.44 0.00 0.02 0.00 0.00 175.26 175.69 2rtd s ALA 102 N 0.95 3.69 0.06 5.21 0.00 -1.25 -4.85 121.76 125.58 2rtd s ALA 102 Ca 0.07 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.66 2rtd s ALA 102 Cb -0.19 -2.30 -0.04 0.00 0.00 0.00 0.00 23.12 20.59 2rtd s ALA 102 CO -0.07 0.57 -0.05 1.03 0.00 0.00 0.00 175.76 177.24 2rtd s ARG 103 N -2.25 0.65 -0.15 0.00 1.81 -0.10 -3.46 118.95 115.45 2rtd s ARG 103 Ca 0.38 -1.16 -0.01 0.00 -1.72 0.00 0.00 55.73 53.23 2rtd s ARG 103 Cb -0.13 0.01 0.04 0.00 -0.45 0.00 0.00 34.95 34.41 2rtd s ARG 103 CO 0.20 -0.06 -0.04 0.42 -0.68 0.00 0.00 175.30 175.14 2rtd s ILE 104 N -3.34 0.97 -0.21 1.52 1.01 -0.94 -0.87 121.20 119.34 2rtd s ILE 104 Ca 0.05 -0.47 -0.07 0.00 0.00 0.00 0.00 60.65 60.16 2rtd s ILE 104 Cb 0.04 -1.14 -0.03 0.00 0.01 0.00 0.00 42.46 41.33 2rtd s ILE 104 CO -0.06 0.17 0.05 0.20 0.00 0.00 0.00 174.94 175.29 2rtd s ASN 105 N 1.70 5.26 0.17 3.58 0.01 -0.43 -1.14 114.94 124.08 2rtd s ASN 105 Ca 0.02 -0.09 -0.00 0.00 -0.71 0.00 0.00 52.86 52.08 2rtd s ASN 105 Cb -0.14 -1.92 -0.04 0.00 0.41 0.00 0.00 41.25 39.56 2rtd s ASN 105 CO -0.08 0.07 0.06 0.42 -1.51 0.00 0.00 177.10 176.07 2rtd s THR 106 N 0.97 0.27 0.02 1.60 -4.23 -0.43 -1.41 115.64 112.42 2rtd s THR 106 Ca 0.03 -1.95 0.05 0.00 -1.18 0.00 0.00 61.69 58.64 2rtd s THR 106 Cb -0.14 -2.20 -0.02 0.00 1.34 0.00 0.00 72.50 71.48 2rtd s THR 106 CO 0.03 -0.34 -0.14 -1.10 -0.54 0.00 0.00 174.62 172.53 2rtd s GLN 107 N -4.04 1.01 0.12 3.99 -0.21 -0.21 -1.44 119.66 118.89 2rtd s GLN 107 Ca 0.28 -0.66 0.03 0.00 0.02 0.00 0.00 55.36 55.04 2rtd s GLN 107 Cb 0.07 -1.01 -0.04 0.00 1.00 0.00 0.00 33.01 33.03 2rtd s GLN 107 CO 0.05 0.26 -0.09 1.67 -2.12 0.00 0.00 175.29 175.07 2rtd s TRP 108 N -0.64 1.09 -0.10 0.91 1.48 -0.03 -0.72 118.94 120.93 2rtd s TRP 108 Ca 0.03 -0.82 0.01 0.00 -1.06 0.00 0.00 56.10 54.26 2rtd s TRP 108 Cb -0.07 -0.58 0.02 0.00 -1.16 0.00 0.00 33.47 31.68 2rtd s TRP 108 CO 0.01 -0.02 -0.13 -0.51 -4.06 0.00 0.00 176.95 172.24 2rtd s LEU 109 N -3.07 1.57 -0.33 -4.66 1.43 -0.64 -1.86 118.68 111.12 2rtd s LEU 109 Ca 0.14 -0.36 0.00 0.00 -1.03 0.00 0.00 54.13 52.87 2rtd s LEU 109 Cb 0.03 -0.96 0.08 0.00 0.03 0.00 0.00 46.19 45.37 2rtd s LEU 109 CO -0.02 -0.01 0.05 -0.22 0.23 0.00 0.00 176.35 176.37 2rtd s LEU 110 N 1.09 4.38 -0.16 1.79 0.20 -0.38 -1.16 118.68 124.44 2rtd s LEU 110 Ca -0.06 -1.69 -0.06 0.00 0.69 0.00 0.00 54.13 53.01 2rtd s LEU 110 Cb -0.14 -1.70 -0.04 0.00 -0.43 0.00 0.00 46.19 43.88 2rtd s LEU 110 CO -0.02 -0.35 0.06 -0.89 -0.29 0.00 0.00 176.35 174.86 2rtd s THR 111 N 1.12 4.76 0.13 3.68 2.01 -0.45 -0.96 115.64 125.92 2rtd s THR 111 Ca 0.01 -0.05 0.04 0.00 0.31 0.00 0.00 61.69 62.00 2rtd s THR 111 Cb -0.20 -3.11 -0.04 0.00 0.01 0.00 0.00 72.50 69.16 2rtd s THR 111 CO -0.04 0.51 0.12 -0.44 -0.69 0.00 0.00 174.62 174.08 2rtd s SER 112 N -0.03 5.57 0.14 3.53 0.01 -0.58 -1.11 113.70 121.23 2rtd s SER 112 Ca 0.06 -0.06 -0.29 0.00 1.31 0.00 0.00 55.95 56.97 2rtd s SER 112 Cb -0.12 -1.49 -0.07 0.00 0.21 0.00 0.00 66.02 64.55 2rtd s SER 112 CO 0.01 0.11 0.91 -0.83 0.41 0.00 0.00 173.24 173.85 2rtd s GLY 113 N -2.81 3.00 0.35 3.44 0.00 -0.60 -4.86 107.32 105.84 2rtd s GLY 113 Ca 0.30 0.53 0.06 0.00 0.00 0.00 0.00 44.72 45.62 2rtd s GLY 113 CO 0.23 1.28 0.24 -0.51 0.00 0.00 0.00 173.10 174.34 2rtd s THR 114 N -0.43 0.15 0.73 0.90 -4.23 -1.26 -5.04 115.64 106.45 2rtd s THR 114 Ca 0.43 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.86 2rtd s THR 114 Cb -0.24 -2.44 0.06 0.00 1.34 0.00 0.00 72.50 71.22 2rtd s THR 114 CO 0.29 0.00 1.06 0.42 -0.54 0.00 0.00 174.62 175.85 2rtd s THR 115 N -3.38 2.34 0.19 3.99 -4.23 -1.26 -4.89 115.64 108.40 2rtd s THR 115 Ca 0.36 -0.13 -0.11 0.00 -1.18 0.00 0.00 61.69 60.63 2rtd s THR 115 Cb 0.02 -3.05 0.12 0.00 1.34 0.00 0.00 72.50 70.93 2rtd s THR 115 CO 0.24 -0.06 1.83 -0.08 -0.54 0.00 0.00 174.62 176.01 2rtd h GLU 116 N -0.72 0.93 -0.37 3.99 4.81 -2.01 -2.30 114.58 118.92 2rtd h GLU 116 Ca -0.45 -0.09 0.08 0.00 -0.13 0.00 0.00 59.36 58.77 2rtd h GLU 116 Cb 1.31 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.48 2rtd h GLU 116 CO 0.62 0.66 0.25 0.00 -0.73 0.00 0.00 179.01 179.82 2rtd h ALA 117 N 1.21 2.14 -0.42 2.92 0.00 -2.06 -2.45 119.26 120.60 2rtd h ALA 117 Ca 0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2rtd h ALA 117 Cb -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2rtd h ALA 117 CO -0.05 -0.23 0.00 0.09 0.00 0.00 0.00 179.25 179.07 2rtd n ASN 118 N -4.46 3.76 0.27 0.00 3.02 -0.90 -4.54 115.26 112.41 2rtd n ASN 118 Ca 0.05 -2.42 0.12 0.00 -0.03 0.00 0.00 54.58 52.30 2rtd n ASN 118 Cb 0.33 -0.43 0.78 0.00 -0.61 0.00 0.00 39.78 39.85 2rtd n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2rtd h ALA 119 N 2.61 1.50 0.00 5.41 0.00 -1.01 -2.35 119.26 125.42 2rtd h ALA 119 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2rtd h ALA 119 Cb 1.15 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 2rtd h ALA 119 CO 0.13 0.08 -0.07 0.11 0.00 0.00 0.00 179.25 179.50 2rtd h TRP 120 N 0.00 0.00 -0.79 0.00 5.08 -1.81 -2.74 115.95 115.69 2rtd h TRP 120 Ca -0.00 0.00 -0.56 0.00 1.08 0.00 0.00 58.89 59.41 2rtd h TRP 120 Cb 0.16 0.00 -0.38 0.00 -3.00 0.00 0.00 29.16 25.94 2rtd h TRP 120 CO 0.00 0.07 -0.36 0.36 -1.28 0.00 0.00 178.44 177.22 2rtd n LYS 121 N -3.73 3.29 0.06 0.12 2.85 -0.89 -4.70 118.16 115.17 2rtd n LYS 121 Ca -0.02 -3.90 0.07 0.00 -1.05 0.00 0.00 58.31 53.40 2rtd n LYS 121 Cb 0.17 -2.26 -0.05 0.00 -0.65 0.00 0.00 35.03 32.24 2rtd n LYS 121 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 2rtd n SER 122 N -0.78 0.73 -4.39 -5.58 3.41 -1.03 -4.93 113.62 101.05 2rtd n SER 122 Ca 0.48 0.30 -0.33 0.00 -0.26 0.00 0.00 58.87 59.06 2rtd n SER 122 Cb 0.89 0.55 -0.14 0.00 -0.26 0.00 0.00 64.21 65.25 2rtd n SER 122 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2rtd s THR 123 N -3.21 3.03 0.13 6.66 2.01 -1.26 -1.53 115.64 121.47 2rtd s THR 123 Ca -0.02 -0.68 0.04 0.00 0.31 0.00 0.00 61.69 61.34 2rtd s THR 123 Cb 0.10 -2.25 -0.04 0.00 0.01 0.00 0.00 72.50 70.32 2rtd s THR 123 CO 0.81 0.54 0.10 -0.76 -0.69 0.00 0.00 174.62 174.62 2rtd s LEU 124 N 0.14 3.77 0.05 4.42 1.43 -0.13 -4.92 118.68 123.44 2rtd s LEU 124 Ca -0.07 -0.09 0.04 0.00 -1.03 0.00 0.00 54.13 52.98 2rtd s LEU 124 Cb -0.15 -2.42 -0.02 0.00 0.03 0.00 0.00 46.19 43.63 2rtd s LEU 124 CO 0.05 0.11 -0.13 0.54 0.23 0.00 0.00 176.35 177.16 2rtd s VAL 125 N -1.59 0.98 0.06 -1.59 0.11 -1.26 -1.25 120.40 115.86 2rtd s VAL 125 Ca 0.30 -1.08 -0.05 0.00 -2.93 0.00 0.00 61.98 58.22 2rtd s VAL 125 Cb -0.11 -0.93 0.02 0.00 -1.53 0.00 0.00 36.38 33.83 2rtd s VAL 125 CO 0.22 -0.14 0.24 0.61 -3.33 0.00 0.00 175.10 172.70 2rtd n GLY 126 N 1.65 1.31 3.09 6.54 0.00 -0.78 -4.99 105.19 112.02 2rtd n GLY 126 Ca -0.20 -1.00 -0.12 0.00 0.00 0.00 0.00 46.02 44.70 2rtd n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2rtd s HIS 127 N -5.71 -0.09 0.02 1.61 -3.43 -1.26 -0.85 115.29 105.58 2rtd s HIS 127 Ca 0.05 0.20 0.01 0.00 -0.80 0.00 0.00 55.06 54.53 2rtd s HIS 127 Cb -0.01 0.02 -0.02 0.00 -1.43 0.00 0.00 32.58 31.14 2rtd s HIS 127 CO 0.02 -0.20 -0.06 -0.51 -2.00 0.00 0.00 174.74 172.00 2rtd s ASP 128 N -0.63 0.61 -0.09 7.38 1.01 -0.52 -4.97 116.67 119.46 2rtd s ASP 128 Ca -0.07 -0.39 0.04 0.00 0.71 0.00 0.00 52.55 52.84 2rtd s ASP 128 Cb -0.04 0.02 0.00 0.00 1.01 0.00 0.00 42.92 43.91 2rtd s ASP 128 CO 0.01 -0.14 -0.22 -0.89 0.21 0.00 0.00 175.17 174.14 2rtd s THR 129 N -0.99 1.89 -0.09 -1.27 2.01 -1.26 -1.32 115.64 114.61 2rtd s THR 129 Ca -0.08 -0.93 0.00 0.00 0.31 0.00 0.00 61.69 61.00 2rtd s THR 129 Cb -0.07 -1.64 -0.03 0.00 0.01 0.00 0.00 72.50 70.77 2rtd s THR 129 CO -0.00 0.52 -0.08 -0.36 -0.69 0.00 0.00 174.62 174.01 2rtd s PHE 130 N 0.35 2.90 -0.10 4.92 0.08 -0.29 -3.34 117.98 122.51 2rtd s PHE 130 Ca -0.17 -0.14 0.01 0.00 0.12 0.00 0.00 56.93 56.75 2rtd s PHE 130 Cb -0.17 -1.76 -0.02 0.00 -0.57 0.00 0.00 43.02 40.50 2rtd s PHE 130 CO 0.08 0.18 -0.13 0.99 -0.10 0.00 0.00 175.22 176.24 2rtd s THR 131 N -0.45 3.10 0.19 0.64 2.01 0.43 -2.22 115.64 119.34 2rtd s THR 131 Ca 0.06 -0.67 -0.26 0.00 0.31 0.00 0.00 61.69 61.14 2rtd s THR 131 Cb -0.12 -2.27 -0.08 0.00 0.01 0.00 0.00 72.50 70.04 2rtd s THR 131 CO 0.02 0.55 0.81 -0.75 -0.69 0.00 0.00 174.62 174.56 2rtd s LYS 132 N -0.09 4.59 0.06 4.92 2.20 -1.22 -1.59 119.74 128.60 2rtd s LYS 132 Ca -0.02 1.20 -0.03 0.00 -0.36 0.00 0.00 55.97 56.76 2rtd s LYS 132 Cb -0.14 -3.21 -0.05 0.00 -1.51 0.00 0.00 37.83 32.92 2rtd s LYS 132 CO 0.04 0.54 0.27 0.08 -0.36 0.00 0.00 175.35 175.91 2rtd s VAL 133 N -1.21 5.31 -0.15 4.02 1.01 -0.57 -4.90 120.40 123.93 2rtd s VAL 133 Ca 0.38 -0.10 -0.22 0.00 0.00 0.00 0.00 61.98 62.04 2rtd s VAL 133 Cb -0.23 -3.60 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 2rtd s VAL 133 CO 0.27 0.19 0.67 -0.75 0.00 0.00 0.00 175.10 175.48 2rtd s LYS 134 N -2.28 4.31 0.00 2.72 2.36 -1.26 -4.63 119.74 120.96 2rtd s LYS 134 Ca 0.34 0.74 0.14 0.00 -2.55 0.00 0.00 55.97 54.64 2rtd s LYS 134 Cb -0.13 -3.52 0.85 0.00 -1.05 0.00 0.00 37.83 33.98 2rtd s LYS 134 CO 0.23 -0.12 1.27 -0.35 1.55 0.00 0.00 175.35 177.93