#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nbx h ILE 17 N 0.00 1.37 -2.57 -0.61 2.04 -1.98 -3.45 117.51 112.30 1nbx h ILE 17 Ca 0.00 -2.94 -0.53 0.00 1.00 0.00 0.00 64.86 62.40 1nbx h ILE 17 Cb 0.00 2.91 0.05 0.00 -0.74 0.00 0.00 36.82 39.04 1nbx h ILE 17 CO 0.00 0.86 1.03 0.41 0.00 0.00 0.00 178.15 180.45 1nbx n THR 18 N -3.54 0.11 -1.14 -0.27 -1.04 -1.26 -4.80 114.28 102.34 1nbx n THR 18 Ca -0.12 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.87 1nbx n THR 18 Cb 1.04 -2.00 0.00 0.00 -1.82 0.00 0.00 70.33 67.55 1nbx n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1nbx n GLY 19 N 4.02 0.38 3.68 3.41 0.00 0.32 -5.01 105.19 111.98 1nbx n GLY 19 Ca 0.17 -1.70 -0.35 0.00 0.00 0.00 0.00 46.02 44.13 1nbx n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nbx s THR 20 N -2.47 5.21 0.02 2.61 2.01 -1.26 -0.84 115.64 120.92 1nbx s THR 20 Ca 0.00 0.12 0.06 0.00 0.31 0.00 0.00 61.69 62.18 1nbx s THR 20 Cb 0.00 -3.38 -0.02 0.00 0.01 0.00 0.00 72.50 69.11 1nbx s THR 20 CO 0.00 0.42 -0.19 0.26 -0.69 0.00 0.00 174.62 174.42 1nbx s TRP 21 N 0.57 1.70 -0.02 4.92 0.52 -0.08 -4.61 118.94 121.93 1nbx s TRP 21 Ca 0.07 -0.35 0.07 0.00 0.02 0.00 0.00 56.10 55.90 1nbx s TRP 21 Cb -0.12 -1.04 -0.01 0.00 -1.15 0.00 0.00 33.47 31.14 1nbx s TRP 21 CO 0.00 0.04 -0.22 0.71 0.02 0.00 0.00 176.95 177.50 1nbx s TYR 22 N -0.66 2.02 0.64 -1.98 1.51 0.58 -1.37 117.35 118.09 1nbx s TYR 22 Ca 0.07 -0.43 0.06 0.00 -1.01 0.00 0.00 57.07 55.76 1nbx s TYR 22 Cb -0.08 -1.31 0.11 0.00 -0.11 0.00 0.00 41.96 40.57 1nbx s TYR 22 CO 0.01 -0.07 0.89 0.54 -1.11 0.00 0.00 175.55 175.80 1nbx s ASN 23 N -0.42 4.75 0.61 2.29 4.22 -1.00 -1.31 114.94 124.09 1nbx s ASN 23 Ca 0.06 -0.75 0.39 0.00 -2.14 0.00 0.00 52.86 50.42 1nbx s ASN 23 Cb -0.10 0.32 1.99 0.00 1.28 0.00 0.00 41.25 44.74 1nbx s ASN 23 CO 0.00 -1.60 2.22 0.06 -2.04 0.00 0.00 177.10 175.74 1nbx h GLN 24 N -0.12 0.00 -0.00 3.55 -0.00 -1.91 -0.67 115.11 115.95 1nbx h GLN 24 Ca -0.31 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.34 1nbx h GLN 24 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.76 1nbx h GLN 24 CO 0.39 0.01 -0.01 1.28 -0.00 0.00 0.00 178.83 180.50 1nbx n LEU 25 N -3.18 0.05 0.00 0.06 4.77 -1.26 -4.91 117.00 112.53 1nbx n LEU 25 Ca -0.02 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1nbx n LEU 25 Cb 0.16 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1nbx n LEU 25 CO 0.24 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.92 1nbx n GLY 26 N 1.26 3.10 3.61 -0.72 0.00 -0.26 -5.01 105.19 107.18 1nbx n GLY 26 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 1nbx n GLY 26 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1nbx n SER 27 N 0.00 0.74 -4.30 1.61 7.64 -1.26 -4.13 113.62 113.92 1nbx n SER 27 Ca 0.00 0.80 -0.33 0.00 1.01 0.00 0.00 58.87 60.35 1nbx n SER 27 Cb 0.00 -1.39 -0.15 0.00 -1.01 0.00 0.00 64.21 61.66 1nbx n SER 27 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1nbx s THR 28 N -1.52 2.75 -0.21 0.44 2.01 0.24 -2.37 115.64 116.98 1nbx s THR 28 Ca 0.76 -0.76 -0.02 0.00 0.31 0.00 0.00 61.69 61.98 1nbx s THR 28 Cb -0.42 -2.14 0.01 0.00 0.01 0.00 0.00 72.50 69.96 1nbx s THR 28 CO 0.47 0.52 -0.10 -0.36 -0.69 0.00 0.00 174.62 174.46 1nbx s PHE 29 N 0.58 2.92 -0.31 4.92 0.08 -0.47 -0.28 117.98 125.41 1nbx s PHE 29 Ca -0.09 -1.29 -0.09 0.00 0.12 0.00 0.00 56.93 55.57 1nbx s PHE 29 Cb -0.16 -2.03 -0.00 0.00 -0.57 0.00 0.00 43.02 40.25 1nbx s PHE 29 CO 0.03 -0.67 0.14 0.42 -0.10 0.00 0.00 175.22 175.04 1nbx s ILE 30 N 1.39 4.49 -0.04 0.64 -1.09 0.48 -0.91 121.20 126.16 1nbx s ILE 30 Ca 0.04 -0.46 0.04 0.00 -2.23 0.00 0.00 60.65 58.05 1nbx s ILE 30 Cb -0.14 -3.29 -0.00 0.00 -1.58 0.00 0.00 42.46 37.44 1nbx s ILE 30 CO -0.07 0.07 -0.17 -0.69 -1.23 0.00 0.00 174.94 172.85 1nbx s VAL 31 N 1.59 1.42 -0.11 2.92 1.01 -0.02 -1.40 120.40 125.82 1nbx s VAL 31 Ca 0.04 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.32 1nbx s VAL 31 Cb -0.17 -1.22 -0.01 0.00 0.00 0.00 0.00 36.38 34.98 1nbx s VAL 31 CO 0.06 0.41 -0.18 -0.89 0.00 0.00 0.00 175.10 174.49 1nbx s THR 32 N -0.02 2.58 -0.34 3.92 2.01 0.09 -0.52 115.64 123.36 1nbx s THR 32 Ca -0.02 -0.84 -0.11 0.00 0.31 0.00 0.00 61.69 61.03 1nbx s THR 32 Cb -0.11 -2.04 -0.01 0.00 0.01 0.00 0.00 72.50 70.36 1nbx s THR 32 CO 0.02 0.54 0.20 0.00 -0.69 0.00 0.00 174.62 174.69 1nbx s ALA 33 N 0.27 3.37 0.53 7.40 0.00 -1.26 -1.41 121.76 130.65 1nbx s ALA 33 Ca -0.13 -1.45 -0.03 0.00 0.00 0.00 0.00 51.96 50.36 1nbx s ALA 33 Cb -0.16 -2.54 0.01 0.00 0.00 0.00 0.00 23.12 20.42 1nbx s ALA 33 CO 0.07 -1.02 0.80 0.20 0.00 0.00 0.00 175.76 175.81 1nbx s GLY 34 N 1.65 1.60 0.58 0.00 0.00 0.19 -4.91 107.32 106.43 1nbx s GLY 34 Ca 0.05 -0.89 0.28 0.00 0.00 0.00 0.00 44.72 44.16 1nbx s GLY 34 CO 0.08 -0.65 2.22 0.00 0.00 0.00 0.00 173.10 174.75 1nbx h ALA 35 N 0.08 1.63 -1.27 3.20 0.00 -1.99 -2.82 119.26 118.09 1nbx h ALA 35 Ca -0.46 -0.00 -0.76 0.00 0.00 0.00 0.00 54.91 53.70 1nbx h ALA 35 Cb 1.26 0.00 -0.30 0.00 0.00 0.00 0.00 17.79 18.75 1nbx h ALA 35 CO 0.59 -0.03 0.76 -3.47 0.00 0.00 0.00 179.25 177.10 1nbx n ASP 36 N -3.95 6.97 0.00 0.00 2.03 -1.26 -4.84 116.55 115.50 1nbx n ASP 36 Ca -0.02 -3.75 0.00 0.00 0.52 0.00 0.00 54.79 51.54 1nbx n ASP 36 Cb 0.11 -1.02 0.00 0.00 -0.72 0.00 0.00 41.12 39.49 1nbx n ASP 36 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1nbx n GLY 37 N -0.29 0.00 3.77 0.27 0.00 -1.06 -4.96 105.19 102.91 1nbx n GLY 37 Ca 0.48 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.11 1nbx n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nbx s ALA 38 N -0.76 3.26 -0.13 4.61 0.00 -1.25 -1.02 121.76 126.47 1nbx s ALA 38 Ca 0.00 0.72 0.02 0.00 0.00 0.00 0.00 51.96 52.70 1nbx s ALA 38 Cb 0.00 -3.26 0.01 0.00 0.00 0.00 0.00 23.12 19.87 1nbx s ALA 38 CO 0.00 -0.04 -0.21 -0.51 0.00 0.00 0.00 175.76 175.00 1nbx s LEU 39 N -1.87 2.04 0.08 0.00 1.02 -0.72 0.52 118.68 119.76 1nbx s LEU 39 Ca 0.49 -0.57 0.02 0.00 0.02 0.00 0.00 54.13 54.09 1nbx s LEU 39 Cb -0.25 -1.39 -0.03 0.00 0.02 0.00 0.00 46.19 44.54 1nbx s LEU 39 CO 0.32 0.07 -0.08 0.42 0.02 0.00 0.00 176.35 177.11 1nbx s THR 40 N 0.83 0.67 -3.02 5.49 -4.23 -0.50 -1.26 115.64 113.62 1nbx s THR 40 Ca -0.07 -1.56 0.00 0.00 -1.18 0.00 0.00 61.69 58.88 1nbx s THR 40 Cb -0.15 -1.22 0.00 0.00 1.34 0.00 0.00 72.50 72.46 1nbx s THR 40 CO -0.02 -0.64 0.00 0.61 -0.54 0.00 0.00 174.62 174.03 1nbx n GLY 41 N 0.63 -0.62 3.05 3.99 0.00 -0.79 -0.73 105.19 110.72 1nbx n GLY 41 Ca -0.17 -0.93 -0.10 0.00 0.00 0.00 0.00 46.02 44.82 1nbx n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nbx s THR 42 N -3.00 0.34 -0.08 2.61 -4.23 -0.49 -1.40 115.64 109.39 1nbx s THR 42 Ca 0.00 -1.22 0.04 0.00 -1.18 0.00 0.00 61.69 59.32 1nbx s THR 42 Cb 0.00 -0.73 -0.02 0.00 1.34 0.00 0.00 72.50 73.09 1nbx s THR 42 CO 0.00 -0.58 -0.19 0.00 -0.54 0.00 0.00 174.62 173.31 1nbx s ALA 43 N -2.06 2.43 0.27 3.99 0.00 -0.11 -0.39 121.76 125.90 1nbx s ALA 43 Ca -0.07 -0.98 -0.14 0.00 0.00 0.00 0.00 51.96 50.77 1nbx s ALA 43 Cb -0.06 -0.91 0.01 0.00 0.00 0.00 0.00 23.12 22.16 1nbx s ALA 43 CO -0.02 0.41 0.55 -1.83 0.00 0.00 0.00 175.76 174.87 1nbx s GLU 44 N -0.17 1.69 0.60 0.00 -1.05 0.61 -0.59 118.70 119.79 1nbx s GLU 44 Ca -0.02 -1.26 -0.11 0.00 -0.15 0.00 0.00 54.97 53.44 1nbx s GLU 44 Cb -0.14 0.51 -0.04 0.00 -0.44 0.00 0.00 34.13 34.02 1nbx s GLU 44 CO 0.04 -0.73 1.00 -1.54 0.95 0.00 0.00 175.26 174.98 1nbx s SER 45 N -3.02 6.24 0.25 0.83 1.04 -1.24 -0.59 113.70 117.21 1nbx s SER 45 Ca 0.20 1.37 -0.05 0.00 0.48 0.00 0.00 55.95 57.95 1nbx s SER 45 Cb -0.02 -2.45 0.49 0.00 0.10 0.00 0.00 66.02 64.14 1nbx s SER 45 CO 0.10 -0.83 1.64 0.00 0.98 0.00 0.00 173.24 175.13 1nbx h ALA 46 N -0.23 0.89 0.00 5.32 0.00 -1.92 -1.15 119.26 122.17 1nbx h ALA 46 Ca -0.44 0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1nbx h ALA 46 Cb 1.19 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1nbx h ALA 46 CO 0.62 -0.42 0.00 1.55 0.00 0.00 0.00 179.25 181.00 1nbx n VAL 47 N -5.31 1.12 -1.04 0.00 3.14 -1.26 -4.91 118.33 110.06 1nbx n VAL 47 Ca 0.15 0.32 -0.02 0.00 -2.96 0.00 0.00 64.34 61.84 1nbx n VAL 47 Cb 0.51 -1.18 -0.01 0.00 -1.06 0.00 0.00 33.84 32.10 1nbx n VAL 47 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1nbx n GLY 48 N -0.34 0.32 3.81 7.55 0.00 -0.43 -5.02 105.19 111.07 1nbx n GLY 48 Ca 0.02 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 1nbx n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nbx s ASN 49 N -2.10 6.71 0.36 1.61 4.22 -1.26 -4.93 114.94 119.55 1nbx s ASN 49 Ca 0.00 1.82 0.10 0.00 -2.14 0.00 0.00 52.86 52.64 1nbx s ASN 49 Cb 0.00 -2.55 0.85 0.00 1.28 0.00 0.00 41.25 40.83 1nbx s ASN 49 CO 0.00 -0.52 1.86 0.00 -2.04 0.00 0.00 177.10 176.40 1nbx h ALA 50 N 1.89 1.88 0.00 3.54 0.00 -1.97 0.30 119.26 124.91 1nbx h ALA 50 Ca -0.49 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1nbx h ALA 50 Cb 1.20 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1nbx h ALA 50 CO 0.61 -0.13 0.00 0.93 0.00 0.00 0.00 179.25 180.65 1nbx h GLU 51 N 0.65 0.00 -0.45 0.00 3.07 -2.01 -1.58 114.58 114.26 1nbx h GLU 51 Ca 0.46 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.32 1nbx h GLU 51 Cb 0.79 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.70 1nbx h GLU 51 CO -0.21 0.00 0.00 -1.13 -1.40 0.00 0.00 179.01 176.27 1nbx n SER 52 N -3.01 3.61 -4.78 1.42 3.41 0.09 -4.85 113.62 109.52 1nbx n SER 52 Ca -0.02 -2.27 -0.36 0.00 -0.26 0.00 0.00 58.87 55.97 1nbx n SER 52 Cb 0.15 -0.39 -0.07 0.00 -0.26 0.00 0.00 64.21 63.63 1nbx n SER 52 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1nbx s ARG 53 N -1.49 3.96 0.05 4.33 3.52 -0.60 -3.67 118.95 125.06 1nbx s ARG 53 Ca 0.36 -0.18 0.01 0.00 -0.13 0.00 0.00 55.73 55.80 1nbx s ARG 53 Cb 0.22 -3.35 -0.03 0.00 -1.56 0.00 0.00 34.95 30.23 1nbx s ARG 53 CO 0.19 0.45 -0.06 0.71 -0.81 0.00 0.00 175.30 175.77 1nbx s TYR 54 N -0.07 0.65 0.25 5.12 1.51 0.24 -4.80 117.35 120.25 1nbx s TYR 54 Ca 0.11 -0.68 -0.30 0.00 -1.01 0.00 0.00 57.07 55.19 1nbx s TYR 54 Cb -0.11 -0.40 -0.09 0.00 -0.11 0.00 0.00 41.96 41.24 1nbx s TYR 54 CO 0.00 -0.15 0.97 0.08 -1.11 0.00 0.00 175.55 175.35 1nbx s VAL 55 N -2.27 3.95 0.02 0.71 1.01 -1.26 -0.93 120.40 121.63 1nbx s VAL 55 Ca -0.03 1.95 0.09 0.00 0.00 0.00 0.00 61.98 63.98 1nbx s VAL 55 Cb -0.04 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.08 1nbx s VAL 55 CO -0.02 0.45 -0.26 -1.48 0.00 0.00 0.00 175.10 173.79 1nbx s LEU 56 N -1.29 2.16 -0.01 3.92 0.05 -0.50 -4.29 118.68 118.73 1nbx s LEU 56 Ca 0.42 -0.54 -0.05 0.00 0.05 0.00 0.00 54.13 54.01 1nbx s LEU 56 Cb -0.27 -1.32 0.00 0.00 -2.05 0.00 0.00 46.19 42.55 1nbx s LEU 56 CO 0.34 0.28 0.11 0.28 -0.55 0.00 0.00 176.35 176.80 1nbx s THR 57 N -0.75 0.06 0.00 5.48 -1.32 -0.96 -1.88 115.64 116.27 1nbx s THR 57 Ca 0.11 -0.52 0.00 0.00 -1.21 0.00 0.00 61.69 60.07 1nbx s THR 57 Cb -0.10 -0.33 0.00 0.00 -1.51 0.00 0.00 72.50 70.56 1nbx s THR 57 CO 0.01 -0.29 0.00 0.61 -2.21 0.00 0.00 174.62 172.75 1nbx n GLY 58 N 1.94 1.73 3.08 6.08 0.00 -0.39 -1.21 105.19 116.42 1nbx n GLY 58 Ca -0.20 -0.79 -0.07 0.00 0.00 0.00 0.00 46.02 44.96 1nbx n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nbx s ARG 59 N -0.33 0.59 0.09 1.61 1.81 -0.38 -1.75 118.95 120.59 1nbx s ARG 59 Ca 0.00 -1.17 -0.09 0.00 -1.72 0.00 0.00 55.73 52.75 1nbx s ARG 59 Cb 0.00 0.18 -0.00 0.00 -0.45 0.00 0.00 34.95 34.68 1nbx s ARG 59 CO 0.00 -0.10 0.19 1.52 -0.68 0.00 0.00 175.30 176.23 1nbx s TYR 60 N -3.68 0.16 -0.57 -0.53 1.13 -0.19 -1.35 117.35 112.32 1nbx s TYR 60 Ca 0.05 -0.59 -0.27 0.00 -1.41 0.00 0.00 57.07 54.85 1nbx s TYR 60 Cb 0.06 -0.06 -0.01 0.00 -1.10 0.00 0.00 41.96 40.85 1nbx s TYR 60 CO -0.09 -0.54 1.77 0.34 -2.51 0.00 0.00 175.55 174.51 1nbx s ASP 61 N -2.86 5.51 0.00 -0.18 -1.08 -0.51 -4.53 116.67 113.01 1nbx s ASP 61 Ca 0.05 0.44 0.31 0.00 -0.52 0.00 0.00 52.55 52.83 1nbx s ASP 61 Cb 0.05 -2.53 1.80 0.00 -1.46 0.00 0.00 42.92 40.77 1nbx s ASP 61 CO -0.11 -2.17 2.17 -1.54 0.52 0.00 0.00 175.17 174.04 1nbx n SER 62 N 11.82 0.00 -3.16 -0.34 3.41 -1.26 -3.98 113.62 120.11 1nbx n SER 62 Ca 0.19 -0.79 -0.23 0.00 -0.26 0.00 0.00 58.87 57.78 1nbx n SER 62 Cb 0.51 -0.07 -0.06 0.00 -0.26 0.00 0.00 64.21 64.33 1nbx n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nbx n ALA 63 N -1.07 2.16 -1.06 7.33 0.00 -1.26 -5.04 120.51 121.56 1nbx n ALA 63 Ca 0.21 -3.25 -0.29 0.00 0.00 0.00 0.00 53.44 50.11 1nbx n ALA 63 Cb 0.14 -0.85 0.17 0.00 0.00 0.00 0.00 19.45 18.92 1nbx n ALA 63 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1nbx s PRO 64 N -1.03 0.54 0.76 0.00 0.04 -1.26 -5.01 135.00 129.04 1nbx s PRO 64 Ca 0.35 0.72 -0.12 0.00 0.04 0.00 0.00 61.00 61.99 1nbx s PRO 64 Cb 0.17 -1.73 0.06 0.00 0.04 0.00 0.00 34.50 33.04 1nbx s PRO 64 CO -0.12 -2.71 1.13 0.00 0.04 0.00 0.00 177.00 175.34 1nbx s ALA 65 N -2.86 2.13 -2.73 8.56 0.00 -1.26 -4.96 121.76 120.64 1nbx s ALA 65 Ca 0.65 0.51 0.24 0.00 0.00 0.00 0.00 51.96 53.36 1nbx s ALA 65 Cb -0.20 -3.35 0.30 0.00 0.00 0.00 0.00 23.12 19.87 1nbx s ALA 65 CO 0.58 -1.85 1.32 0.25 0.00 0.00 0.00 175.76 176.07 1nbx n THR 66 N -3.24 0.24 1.87 0.00 -2.24 -1.26 -4.54 114.28 105.12 1nbx n THR 66 Ca 0.11 -0.62 0.01 0.00 -2.27 0.00 0.00 64.05 61.28 1nbx n THR 66 Cb 0.52 1.25 0.06 0.00 -2.10 0.00 0.00 70.33 70.06 1nbx n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1nbx n ASP 67 N 1.42 0.00 0.00 3.42 5.68 -1.26 -4.77 116.55 121.04 1nbx n ASP 67 Ca 0.17 -1.81 0.00 0.00 -0.50 0.00 0.00 54.79 52.65 1nbx n ASP 67 Cb 0.60 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.58 1nbx n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1nbx n GLY 68 N 0.47 0.60 3.74 6.12 0.00 -1.26 -5.05 105.19 109.81 1nbx n GLY 68 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1nbx n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nbx s SER 69 N -2.55 4.44 0.80 1.61 0.01 -1.26 -5.04 113.70 111.71 1nbx s SER 69 Ca 0.00 2.10 -0.06 0.00 1.31 0.00 0.00 55.95 59.30 1nbx s SER 69 Cb 0.00 -2.56 0.13 0.00 0.21 0.00 0.00 66.02 63.81 1nbx s SER 69 CO 0.00 -2.09 0.86 0.61 0.41 0.00 0.00 173.24 173.03 1nbx n GLY 70 N -0.29 -0.24 3.46 3.44 0.00 -1.26 -4.84 105.19 105.46 1nbx n GLY 70 Ca 0.11 -1.87 -0.39 0.00 0.00 0.00 0.00 46.02 43.87 1nbx n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nbx s THR 71 N -2.66 4.74 0.34 2.61 2.01 -0.31 -4.76 115.64 117.62 1nbx s THR 71 Ca 0.53 -0.36 -0.28 0.00 0.31 0.00 0.00 61.69 61.88 1nbx s THR 71 Cb -0.02 -3.41 -0.10 0.00 0.01 0.00 0.00 72.50 68.98 1nbx s THR 71 CO 0.36 0.06 1.32 0.00 -0.69 0.00 0.00 174.62 175.67 1nbx s ALA 72 N 1.64 3.48 0.32 7.40 0.00 -1.26 -1.21 121.76 132.12 1nbx s ALA 72 Ca 0.05 1.29 -0.16 0.00 0.00 0.00 0.00 51.96 53.13 1nbx s ALA 72 Cb -0.17 -3.49 0.03 0.00 0.00 0.00 0.00 23.12 19.49 1nbx s ALA 72 CO 0.07 -0.70 0.68 -0.48 0.00 0.00 0.00 175.76 175.34 1nbx s LEU 73 N -1.89 0.03 0.03 0.00 0.05 -0.35 -1.43 118.68 115.12 1nbx s LEU 73 Ca 0.50 -0.92 -0.27 0.00 0.05 0.00 0.00 54.13 53.49 1nbx s LEU 73 Cb -0.40 2.51 0.09 0.00 -2.05 0.00 0.00 46.19 46.34 1nbx s LEU 73 CO 0.53 -1.43 0.78 -0.83 -0.55 0.00 0.00 176.35 174.86 1nbx s GLY 74 N -3.01 -0.51 0.18 -3.48 0.00 -0.46 -1.35 107.32 98.69 1nbx s GLY 74 Ca 0.16 0.97 -0.14 0.00 0.00 0.00 0.00 44.72 45.71 1nbx s GLY 74 CO 0.10 0.41 0.42 0.66 0.00 0.00 0.00 173.10 174.69 1nbx s TRP 75 N -2.93 0.10 0.04 1.90 -2.14 -0.47 -1.25 118.94 114.19 1nbx s TRP 75 Ca 0.01 -0.45 0.06 0.00 2.66 0.00 0.00 56.10 58.39 1nbx s TRP 75 Cb -0.01 0.20 -0.02 0.00 -3.10 0.00 0.00 33.47 30.54 1nbx s TRP 75 CO -0.07 -0.83 -0.18 0.99 -2.66 0.00 0.00 176.95 174.20 1nbx s THR 76 N -3.91 1.47 -0.09 0.66 2.01 -0.35 -1.28 115.64 114.15 1nbx s THR 76 Ca 0.12 -1.14 0.00 0.00 0.31 0.00 0.00 61.69 60.98 1nbx s THR 76 Cb 0.01 -1.30 0.02 0.00 0.01 0.00 0.00 72.50 71.24 1nbx s THR 76 CO -0.02 0.12 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.28 1nbx s VAL 77 N -0.83 0.85 -0.14 3.82 1.01 0.28 -2.25 120.40 123.13 1nbx s VAL 77 Ca 0.05 -0.22 -0.15 0.00 0.00 0.00 0.00 61.98 61.66 1nbx s VAL 77 Cb -0.08 -0.88 -0.05 0.00 0.00 0.00 0.00 36.38 35.37 1nbx s VAL 77 CO 0.02 0.32 0.33 0.00 0.00 0.00 0.00 175.10 175.77 1nbx s ALA 78 N 1.43 3.58 -1.33 5.51 0.00 -1.26 -0.14 121.76 129.55 1nbx s ALA 78 Ca -0.01 -0.39 -0.06 0.00 0.00 0.00 0.00 51.96 51.50 1nbx s ALA 78 Cb -0.13 -2.43 0.12 0.00 0.00 0.00 0.00 23.12 20.67 1nbx s ALA 78 CO -0.04 0.11 2.39 0.91 0.00 0.00 0.00 175.76 179.12 1nbx n TRP 79 N 3.45 2.60 -4.71 0.00 7.02 -0.02 -4.74 117.44 121.03 1nbx n TRP 79 Ca -0.11 -2.83 -0.25 0.00 -1.02 0.00 0.00 57.50 53.29 1nbx n TRP 79 Cb 0.52 -1.85 -0.16 0.00 -2.42 0.00 0.00 31.31 27.39 1nbx n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1nbx s LYS 80 N -1.05 1.75 0.00 -0.99 2.20 -1.26 -0.65 119.74 119.74 1nbx s LYS 80 Ca 0.54 -0.51 0.00 0.00 -0.36 0.00 0.00 55.97 55.64 1nbx s LYS 80 Cb 0.18 -1.47 0.00 0.00 -1.51 0.00 0.00 37.83 35.03 1nbx s LYS 80 CO -0.09 0.13 0.00 0.27 -0.36 0.00 0.00 175.35 175.30 1nbx n ASN 81 N 3.47 0.46 0.00 1.43 0.23 -0.24 -4.75 115.26 115.86 1nbx n ASN 81 Ca -0.20 -0.95 0.07 0.00 -0.53 0.00 0.00 54.58 52.97 1nbx n ASN 81 Cb 0.53 0.00 0.32 0.00 -2.08 0.00 0.00 39.78 38.54 1nbx n ASN 81 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1nbx n ASN 82 N -2.42 0.00 -0.02 0.53 3.02 -1.26 -3.38 115.26 111.74 1nbx n ASN 82 Ca 0.00 0.46 0.02 0.00 -0.03 0.00 0.00 54.58 55.03 1nbx n ASN 82 Cb 0.00 -0.48 -0.08 0.00 -0.61 0.00 0.00 39.78 38.61 1nbx n ASN 82 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1nbx n TYR 83 N -1.48 0.00 -3.66 3.10 4.01 -1.26 -5.07 117.16 112.80 1nbx n TYR 83 Ca 0.04 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.69 1nbx n TYR 83 Cb 0.17 -0.31 -0.02 0.00 -0.31 0.00 0.00 39.34 38.86 1nbx n TYR 83 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1nbx s ARG 84 N -2.60 1.55 -0.28 -0.72 3.00 -1.22 -5.15 118.95 113.53 1nbx s ARG 84 Ca -0.04 -0.76 -0.03 0.00 -1.00 0.00 0.00 55.73 53.90 1nbx s ARG 84 Cb 0.06 0.60 0.16 0.00 0.00 0.00 0.00 34.95 35.77 1nbx s ARG 84 CO 0.43 -0.69 0.54 1.21 0.00 0.00 0.00 175.30 176.79 1nbx s ASN 85 N -2.84 -0.88 0.00 -2.12 3.84 -1.26 -1.07 114.94 110.61 1nbx s ASN 85 Ca 0.07 0.79 0.21 0.00 0.21 0.00 0.00 52.86 54.13 1nbx s ASN 85 Cb -0.04 1.86 0.53 0.00 -0.55 0.00 0.00 41.25 43.06 1nbx s ASN 85 CO -0.02 -0.26 1.45 0.00 -2.79 0.00 0.00 177.10 175.47 1nbx n ALA 86 N 5.41 2.44 -3.85 1.71 0.00 0.18 -4.95 120.51 121.45 1nbx n ALA 86 Ca -0.03 -0.90 -0.24 0.00 0.00 0.00 0.00 53.44 52.27 1nbx n ALA 86 Cb 0.50 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 19.01 1nbx n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1nbx n HIS 87 N 1.15 -1.75 -3.87 0.00 8.25 -1.26 -4.89 115.22 112.85 1nbx n HIS 87 Ca 0.19 0.78 -0.08 0.00 -0.26 0.00 0.00 57.72 58.36 1nbx n HIS 87 Cb 0.51 -4.01 -0.01 0.00 1.12 0.00 0.00 29.99 27.60 1nbx n HIS 87 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1nbx s SER 88 N -4.37 -0.18 -0.02 0.41 1.04 -1.26 -1.91 113.70 107.41 1nbx s SER 88 Ca 0.00 -0.75 -0.04 0.00 0.48 0.00 0.00 55.95 55.63 1nbx s SER 88 Cb -0.00 0.74 0.01 0.00 0.10 0.00 0.00 66.02 66.86 1nbx s SER 88 CO 0.86 -1.40 0.10 0.00 0.98 0.00 0.00 173.24 173.78 1nbx s ALA 89 N -3.60 -0.25 -0.04 5.32 0.00 -0.45 -0.84 121.76 121.89 1nbx s ALA 89 Ca 0.13 0.11 0.06 0.00 0.00 0.00 0.00 51.96 52.25 1nbx s ALA 89 Cb -0.05 -0.08 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 1nbx s ALA 89 CO 0.08 -0.10 -0.20 0.99 0.00 0.00 0.00 175.76 176.53 1nbx s THR 90 N -0.47 2.52 -0.08 0.00 2.01 0.80 -1.01 115.64 119.42 1nbx s THR 90 Ca -0.05 -0.92 0.04 0.00 0.31 0.00 0.00 61.69 61.07 1nbx s THR 90 Cb -0.04 -1.94 -0.01 0.00 0.01 0.00 0.00 72.50 70.52 1nbx s THR 90 CO 0.00 0.58 -0.21 0.42 -0.69 0.00 0.00 174.62 174.72 1nbx s THR 91 N -0.56 2.40 -0.17 -0.82 -4.23 -0.42 -0.56 115.64 111.29 1nbx s THR 91 Ca 0.08 -0.93 -0.02 0.00 -1.18 0.00 0.00 61.69 59.64 1nbx s THR 91 Cb -0.11 -1.92 -0.01 0.00 1.34 0.00 0.00 72.50 71.80 1nbx s THR 91 CO 0.01 0.56 -0.08 0.26 -0.54 0.00 0.00 174.62 174.82 1nbx s TRP 92 N -0.07 2.90 -0.12 3.99 0.51 -0.41 -0.88 118.94 124.86 1nbx s TRP 92 Ca -0.05 -0.72 0.03 0.00 -2.12 0.00 0.00 56.10 53.24 1nbx s TRP 92 Cb -0.14 -1.96 0.00 0.00 -0.81 0.00 0.00 33.47 30.56 1nbx s TRP 92 CO 0.04 -0.32 -0.22 0.45 -0.51 0.00 0.00 176.95 176.40 1nbx s SER 93 N 0.78 3.24 0.00 2.95 0.15 0.32 -1.36 113.70 119.78 1nbx s SER 93 Ca -0.03 -0.54 0.00 0.00 0.70 0.00 0.00 55.95 56.08 1nbx s SER 93 Cb -0.15 -1.45 0.00 0.00 -1.71 0.00 0.00 66.02 62.71 1nbx s SER 93 CO 0.01 0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.20 1nbx n GLY 94 N 3.69 1.57 3.20 9.45 0.00 -0.46 -1.00 105.19 121.63 1nbx n GLY 94 Ca -0.19 -0.70 -0.12 0.00 0.00 0.00 0.00 46.02 45.01 1nbx n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1nbx s GLN 95 N 0.53 0.63 -0.10 1.61 -2.07 -0.05 -1.21 119.66 119.00 1nbx s GLN 95 Ca 0.00 -0.32 -0.22 0.00 -1.82 0.00 0.00 55.36 53.00 1nbx s GLN 95 Cb 0.00 0.27 -0.04 0.00 -1.09 0.00 0.00 33.01 32.16 1nbx s GLN 95 CO 0.00 -0.17 0.63 -0.47 -1.32 0.00 0.00 175.29 173.95 1nbx s TYR 96 N -1.56 3.54 -0.24 9.60 5.04 -0.35 -1.68 117.35 131.70 1nbx s TYR 96 Ca -0.12 1.11 0.01 0.00 -2.44 0.00 0.00 57.07 55.62 1nbx s TYR 96 Cb -0.05 -2.73 0.04 0.00 0.35 0.00 0.00 41.96 39.57 1nbx s TYR 96 CO 0.02 0.08 -0.12 0.08 -1.34 0.00 0.00 175.55 174.27 1nbx s VAL 97 N 0.86 2.32 0.34 3.14 1.01 0.14 -1.16 120.40 127.06 1nbx s VAL 97 Ca 0.33 -1.29 -0.04 0.00 0.00 0.00 0.00 61.98 60.99 1nbx s VAL 97 Cb -0.17 -2.21 0.07 0.00 0.00 0.00 0.00 36.38 34.07 1nbx s VAL 97 CO 0.15 0.18 0.46 0.61 0.00 0.00 0.00 175.10 176.50 1nbx n GLY 98 N 4.55 -0.35 0.00 4.51 0.00 -1.26 0.50 105.19 113.13 1nbx n GLY 98 Ca -0.17 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.03 1nbx n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nbx n GLY 99 N 1.78 0.03 0.23 -0.02 0.00 -1.26 -4.47 105.19 101.48 1nbx n GLY 99 Ca 0.06 -2.28 0.12 0.00 0.00 0.00 0.00 46.02 43.92 1nbx n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nbx h ALA 100 N 0.00 0.98 -2.07 4.61 0.00 -2.06 -2.96 119.26 117.75 1nbx h ALA 100 Ca 0.00 -0.14 -0.57 0.00 0.00 0.00 0.00 54.91 54.20 1nbx h ALA 100 Cb 0.00 -0.02 -0.42 0.00 0.00 0.00 0.00 17.79 17.35 1nbx h ALA 100 CO 0.00 0.19 -0.74 -1.91 0.00 0.00 0.00 179.25 176.79 1nbx n GLU 101 N -3.24 2.96 -1.58 0.00 2.13 -1.26 -5.08 120.64 114.56 1nbx n GLU 101 Ca 0.01 -4.58 -0.45 0.00 0.66 0.00 0.00 57.16 52.79 1nbx n GLU 101 Cb 0.44 -2.15 -0.02 0.00 0.27 0.00 0.00 31.44 29.98 1nbx n GLU 101 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1nbx n ALA 102 N -0.23 -0.44 -2.50 4.31 0.00 -1.12 -4.90 120.51 115.63 1nbx n ALA 102 Ca 0.31 0.41 -0.09 0.00 0.00 0.00 0.00 53.44 54.07 1nbx n ALA 102 Cb 0.48 -2.00 -0.08 0.00 0.00 0.00 0.00 19.45 17.85 1nbx n ALA 102 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1nbx s ARG 103 N -1.30 0.79 -0.20 0.00 0.52 0.18 -4.34 118.95 114.60 1nbx s ARG 103 Ca 0.62 -0.98 -0.01 0.00 -0.52 0.00 0.00 55.73 54.84 1nbx s ARG 103 Cb -0.74 0.31 0.01 0.00 0.52 0.00 0.00 34.95 35.06 1nbx s ARG 103 CO 0.58 -0.23 -0.13 0.42 0.02 0.00 0.00 175.30 175.96 1nbx s ILE 104 N -3.76 2.58 -0.23 1.52 1.01 0.02 -0.69 121.20 121.65 1nbx s ILE 104 Ca 0.04 -0.80 -0.14 0.00 0.00 0.00 0.00 60.65 59.75 1nbx s ILE 104 Cb 0.05 -2.15 -0.04 0.00 0.01 0.00 0.00 42.46 40.33 1nbx s ILE 104 CO -0.10 0.46 0.32 0.20 0.00 0.00 0.00 174.94 175.82 1nbx s ASN 105 N 1.36 6.30 0.11 3.58 0.01 -0.68 0.17 114.94 125.78 1nbx s ASN 105 Ca 0.05 0.34 0.03 0.00 -0.71 0.00 0.00 52.86 52.57 1nbx s ASN 105 Cb -0.14 -2.19 -0.04 0.00 0.41 0.00 0.00 41.25 39.29 1nbx s ASN 105 CO -0.09 -0.05 -0.09 0.42 -1.51 0.00 0.00 177.10 175.78 1nbx s THR 106 N 1.38 0.94 0.12 1.60 -4.23 -0.62 -0.87 115.64 113.97 1nbx s THR 106 Ca 0.15 -1.85 0.11 0.00 -1.18 0.00 0.00 61.69 58.92 1nbx s THR 106 Cb -0.15 -1.59 -0.04 0.00 1.34 0.00 0.00 72.50 72.06 1nbx s THR 106 CO 0.07 -0.70 -0.27 -1.10 -0.54 0.00 0.00 174.62 172.09 1nbx s GLN 107 N -3.36 1.40 0.16 3.99 -0.21 -0.17 -1.87 119.66 119.60 1nbx s GLN 107 Ca 0.11 -1.32 0.06 0.00 0.02 0.00 0.00 55.36 54.22 1nbx s GLN 107 Cb 0.01 -1.87 -0.04 0.00 1.00 0.00 0.00 33.01 32.11 1nbx s GLN 107 CO -0.01 0.44 -0.13 1.67 -2.12 0.00 0.00 175.29 175.15 1nbx s TRP 108 N -1.05 1.44 -0.09 0.91 1.48 0.01 -0.52 118.94 121.10 1nbx s TRP 108 Ca 0.13 -0.64 0.04 0.00 -1.06 0.00 0.00 56.10 54.57 1nbx s TRP 108 Cb -0.10 -0.71 -0.00 0.00 -1.16 0.00 0.00 33.47 31.50 1nbx s TRP 108 CO 0.06 0.18 -0.24 -0.51 -4.06 0.00 0.00 176.95 172.38 1nbx s LEU 109 N -3.01 2.10 -0.18 -4.66 1.43 -0.06 -2.02 118.68 112.29 1nbx s LEU 109 Ca 0.16 -0.55 -0.01 0.00 -1.03 0.00 0.00 54.13 52.71 1nbx s LEU 109 Cb -0.01 -1.41 0.00 0.00 0.03 0.00 0.00 46.19 44.80 1nbx s LEU 109 CO 0.03 0.17 -0.13 -0.22 0.23 0.00 0.00 176.35 176.43 1nbx s LEU 110 N 0.27 2.53 -0.07 1.79 2.96 0.36 -1.30 118.68 125.22 1nbx s LEU 110 Ca -0.17 -0.48 0.03 0.00 -0.22 0.00 0.00 54.13 53.29 1nbx s LEU 110 Cb -0.17 -1.60 -0.02 0.00 0.50 0.00 0.00 46.19 44.90 1nbx s LEU 110 CO 0.08 0.04 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.11 1nbx s THR 111 N 1.09 2.97 -0.06 3.68 2.01 -0.18 -0.23 115.64 124.93 1nbx s THR 111 Ca 0.00 -0.74 -0.01 0.00 0.31 0.00 0.00 61.69 61.26 1nbx s THR 111 Cb -0.14 -2.18 -0.03 0.00 0.01 0.00 0.00 72.50 70.15 1nbx s THR 111 CO -0.04 0.57 -0.01 -0.44 -0.69 0.00 0.00 174.62 174.02 1nbx s SER 112 N -0.38 5.14 0.23 3.53 0.01 -0.26 -1.34 113.70 120.64 1nbx s SER 112 Ca 0.04 0.08 -0.30 0.00 1.31 0.00 0.00 55.95 57.08 1nbx s SER 112 Cb -0.12 -1.40 -0.10 0.00 0.21 0.00 0.00 66.02 64.61 1nbx s SER 112 CO 0.02 0.35 1.40 -0.83 0.41 0.00 0.00 173.24 174.59 1nbx s GLY 113 N -1.07 2.36 0.05 3.44 0.00 -0.80 -4.81 107.32 106.49 1nbx s GLY 113 Ca 0.15 1.26 -0.11 0.00 0.00 0.00 0.00 44.72 46.02 1nbx s GLY 113 CO 0.05 2.21 0.24 -0.51 0.00 0.00 0.00 173.10 175.09 1nbx s THR 114 N 0.04 0.11 0.90 0.90 -4.23 -1.26 -5.02 115.64 107.07 1nbx s THR 114 Ca 0.58 -0.87 -0.12 0.00 -1.18 0.00 0.00 61.69 60.10 1nbx s THR 114 Cb -0.40 -1.02 0.13 0.00 1.34 0.00 0.00 72.50 72.55 1nbx s THR 114 CO 0.41 -0.48 1.13 0.42 -0.54 0.00 0.00 174.62 175.57 1nbx s THR 115 N -2.89 2.10 0.40 3.99 -4.23 -1.26 -4.88 115.64 108.87 1nbx s THR 115 Ca -0.03 0.03 0.07 0.00 -1.18 0.00 0.00 61.69 60.59 1nbx s THR 115 Cb 0.00 -2.78 0.24 0.00 1.34 0.00 0.00 72.50 71.31 1nbx s THR 115 CO -0.06 -0.04 2.03 -0.33 -0.54 0.00 0.00 174.62 175.68 1nbx h GLU 116 N -1.46 0.49 -0.71 3.99 5.08 -2.02 -2.77 114.58 117.18 1nbx h GLU 116 Ca -0.50 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 57.80 1nbx h GLU 116 Cb 1.33 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 1nbx h GLU 116 CO 0.62 0.37 0.38 0.00 -1.00 0.00 0.00 179.01 179.37 1nbx h ALA 117 N 1.72 1.32 -0.60 3.43 0.00 -2.07 -2.86 119.26 120.20 1nbx h ALA 117 Ca 0.13 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1nbx h ALA 117 Cb 0.02 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1nbx h ALA 117 CO -0.02 0.55 0.00 0.09 0.00 0.00 0.00 179.25 179.87 1nbx n ASN 118 N -4.36 3.66 0.16 0.00 3.02 -1.06 -4.57 115.26 112.12 1nbx n ASN 118 Ca 0.07 -2.14 0.02 0.00 -0.03 0.00 0.00 54.58 52.50 1nbx n ASN 118 Cb 0.11 -0.46 0.36 0.00 -0.61 0.00 0.00 39.78 39.18 1nbx n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1nbx h ALA 119 N 4.07 1.41 -0.15 5.41 0.00 -1.31 -2.49 119.26 126.19 1nbx h ALA 119 Ca 0.00 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.66 1nbx h ALA 119 Cb 1.01 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1nbx h ALA 119 CO 0.08 0.43 0.20 0.11 0.00 0.00 0.00 179.25 180.06 1nbx h TRP 120 N 0.08 0.00 -0.32 0.00 5.08 -1.83 -0.33 115.95 118.63 1nbx h TRP 120 Ca 0.01 0.00 -0.16 0.00 1.08 0.00 0.00 58.89 59.82 1nbx h TRP 120 Cb 0.58 0.00 -0.09 0.00 -3.00 0.00 0.00 29.16 26.65 1nbx h TRP 120 CO 0.00 0.00 -0.09 0.36 -1.28 0.00 0.00 178.44 177.43 1nbx n LYS 121 N -3.67 1.91 0.12 0.12 2.85 -0.94 -4.72 118.16 113.82 1nbx n LYS 121 Ca 0.01 -3.15 0.12 0.00 -1.05 0.00 0.00 58.31 54.24 1nbx n LYS 121 Cb 0.31 -1.81 0.28 0.00 -0.65 0.00 0.00 35.03 33.16 1nbx n LYS 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1nbx h SER 122 N 1.05 0.00 -3.28 -5.58 4.64 -1.08 -3.46 113.55 105.83 1nbx h SER 122 Ca 0.19 -0.04 -0.55 0.00 -0.47 0.00 0.00 61.79 60.92 1nbx h SER 122 Cb 1.60 0.00 -0.37 0.00 -0.31 0.00 0.00 62.40 63.32 1nbx h SER 122 CO 0.35 0.02 -0.80 -0.89 -0.87 0.00 0.00 176.83 174.65 1nbx s THR 123 N -3.16 1.12 0.32 2.95 2.01 -1.26 -1.10 115.64 116.53 1nbx s THR 123 Ca 0.08 -0.55 -0.07 0.00 0.31 0.00 0.00 61.69 61.46 1nbx s THR 123 Cb 0.11 -1.24 -0.06 0.00 0.01 0.00 0.00 72.50 71.32 1nbx s THR 123 CO 0.65 0.20 0.63 -0.76 -0.69 0.00 0.00 174.62 174.65 1nbx s LEU 124 N 1.64 3.99 0.04 4.42 1.43 0.68 -4.89 118.68 125.99 1nbx s LEU 124 Ca 0.02 0.87 0.05 0.00 -1.03 0.00 0.00 54.13 54.04 1nbx s LEU 124 Cb -0.14 -3.71 -0.02 0.00 0.03 0.00 0.00 46.19 42.35 1nbx s LEU 124 CO -0.08 -0.26 -0.14 0.54 0.23 0.00 0.00 176.35 176.65 1nbx s VAL 125 N -2.16 1.10 0.00 -1.59 0.11 -1.26 -0.49 120.40 116.11 1nbx s VAL 125 Ca 0.47 -0.99 0.00 0.00 -2.93 0.00 0.00 61.98 58.53 1nbx s VAL 125 Cb -0.11 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.75 1nbx s VAL 125 CO 0.30 0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.69 1nbx n GLY 126 N 1.92 2.24 3.02 6.54 0.00 -0.86 -5.00 105.19 113.06 1nbx n GLY 126 Ca -0.18 -0.72 -0.08 0.00 0.00 0.00 0.00 46.02 45.04 1nbx n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1nbx s HIS 127 N -2.85 0.35 0.01 1.61 -3.43 -1.26 -0.81 115.29 108.91 1nbx s HIS 127 Ca 0.00 -0.72 0.00 0.00 -0.80 0.00 0.00 55.06 53.54 1nbx s HIS 127 Cb 0.00 -0.26 -0.01 0.00 -1.43 0.00 0.00 32.58 30.88 1nbx s HIS 127 CO 0.00 -0.26 -0.02 -0.51 -2.00 0.00 0.00 174.74 171.95 1nbx s ASP 128 N -1.99 0.19 -0.08 7.38 1.01 -0.78 -4.93 116.67 117.47 1nbx s ASP 128 Ca -0.08 -0.35 0.04 0.00 0.71 0.00 0.00 52.55 52.87 1nbx s ASP 128 Cb -0.03 0.07 0.00 0.00 1.01 0.00 0.00 42.92 43.97 1nbx s ASP 128 CO -0.04 -0.20 -0.19 -0.89 0.21 0.00 0.00 175.17 174.05 1nbx s THR 129 N -1.01 1.68 -0.12 -1.27 2.01 -1.26 -1.59 115.64 114.08 1nbx s THR 129 Ca -0.11 -0.81 -0.03 0.00 0.31 0.00 0.00 61.69 61.05 1nbx s THR 129 Cb -0.07 -1.47 -0.03 0.00 0.01 0.00 0.00 72.50 70.94 1nbx s THR 129 CO -0.01 0.48 0.00 -0.36 -0.69 0.00 0.00 174.62 174.04 1nbx s PHE 130 N 0.39 3.15 0.32 4.92 0.08 0.13 -3.43 117.98 123.53 1nbx s PHE 130 Ca -0.15 0.06 0.09 0.00 0.12 0.00 0.00 56.93 57.04 1nbx s PHE 130 Cb -0.16 -1.88 -0.06 0.00 -0.57 0.00 0.00 43.02 40.34 1nbx s PHE 130 CO 0.06 0.30 -0.09 0.95 -0.10 0.00 0.00 175.22 176.34 1nbx s THR 131 N -0.37 2.05 -0.75 0.64 -4.23 -0.43 -0.80 115.64 111.75 1nbx s THR 131 Ca 0.07 -2.18 0.25 0.00 -1.18 0.00 0.00 61.69 58.65 1nbx s THR 131 Cb -0.12 -2.58 0.15 0.00 1.34 0.00 0.00 72.50 71.29 1nbx s THR 131 CO 0.02 -0.24 1.56 0.29 -0.54 0.00 0.00 174.62 175.72 1nbx n LYS 132 N -0.72 0.22 0.00 3.99 5.02 -1.26 -0.30 118.16 125.11 1nbx n LYS 132 Ca -0.05 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 1nbx n LYS 132 Cb 0.63 -1.69 0.00 0.00 -0.02 0.00 0.00 35.03 33.95 1nbx n LYS 132 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21