#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 0.92 -2.26 -0.61 2.04 -1.97 -3.47 117.51 112.16 1nbx h ILE 17 Ca 0.00 -2.59 -0.59 0.00 1.00 0.00 0.00 64.86 62.69 1nbx h ILE 17 Cb 0.00 2.66 0.05 0.00 -0.74 0.00 0.00 36.82 38.79 1nbx h ILE 17 CO 0.00 0.81 0.82 0.41 0.00 0.00 0.00 178.15 180.19 1nbx n THR 18 N -3.45 0.04 -0.52 -0.27 -1.04 -1.26 -4.79 114.28 102.99 1nbx n THR 18 Ca -0.23 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.78 1nbx n THR 18 Cb 1.05 -1.56 0.00 0.00 -1.82 0.00 0.00 70.33 68.01 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 3.48 0.72 3.73 3.41 0.00 0.09 -4.99 105.19 111.63 1nbx n GLY 19 Ca 0.17 -1.81 -0.36 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.44 5.34 0.04 2.61 2.01 -1.26 -0.88 115.64 121.06 1nbx s THR 20 Ca 0.00 0.44 0.07 0.00 0.31 0.00 0.00 61.69 62.50 1nbx s THR 20 Cb 0.00 -3.58 -0.02 0.00 0.01 0.00 0.00 72.50 68.91 1nbx s THR 20 CO 0.00 0.40 -0.19 0.26 -0.69 0.00 0.00 174.62 174.40 1nbx s TRP 21 N 0.44 1.69 -0.11 4.92 0.52 0.66 -4.65 118.94 122.41 1nbx s TRP 21 Ca 0.14 -0.37 0.03 0.00 0.02 0.00 0.00 56.10 55.93 1nbx s TRP 21 Cb -0.12 -1.01 0.00 0.00 -1.15 0.00 0.00 33.47 31.19 1nbx s TRP 21 CO 0.02 0.07 -0.23 0.71 0.02 0.00 0.00 176.95 177.55 1nbx s TYR 22 N -0.78 2.50 0.04 -1.98 2.02 -0.20 -0.98 117.35 117.98 1nbx s TYR 22 Ca 0.06 -1.08 -0.00 0.00 -0.37 0.00 0.00 57.07 55.68 1nbx s TYR 22 Cb -0.08 -1.69 0.01 0.00 -0.40 0.00 0.00 41.96 39.80 1nbx s TYR 22 CO 0.01 -0.46 0.06 0.27 -1.57 0.00 0.00 175.55 173.87 1nbx n ASN 23 N 3.68 0.07 0.24 2.29 6.94 -1.04 -1.63 115.26 125.82 1nbx n ASN 23 Ca -0.19 -1.06 0.08 0.00 -0.02 0.00 0.00 54.58 53.39 1nbx n ASN 23 Cb 0.53 -0.04 0.61 0.00 -2.36 0.00 0.00 39.78 38.51 1nbx n ASN 23 CO 0.00 0.00 0.00 1.56 -1.03 0.00 0.00 177.26 177.79 1nbx h GLN 24 N 0.00 0.00 -0.41 -3.83 1.08 -1.89 -3.19 115.11 106.87 1nbx h GLN 24 Ca -0.02 0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 56.98 1nbx h GLN 24 Cb 0.07 0.00 -0.12 0.00 -0.05 0.00 0.00 27.48 27.38 1nbx h GLN 24 CO 0.02 0.14 -0.01 1.28 -0.95 0.00 0.00 178.83 179.32 1nbx n LEU 25 N -4.09 4.36 -1.08 1.46 4.77 -1.26 -4.97 117.00 116.19 1nbx n LEU 25 Ca -0.02 -3.70 -0.12 0.00 -0.03 0.00 0.00 56.01 52.14 1nbx n LEU 25 Cb 0.22 -0.65 -0.04 0.00 -2.33 0.00 0.00 43.42 40.63 1nbx n LEU 25 CO 0.34 1.19 -0.13 0.61 -1.33 0.00 0.00 177.39 178.07 1nbx n GLY 26 N -1.07 0.86 3.84 -0.72 0.00 -1.21 -5.03 105.19 101.88 1nbx n GLY 26 Ca 0.35 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 1nbx n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nbx s SER 27 N -2.74 6.86 -0.17 1.61 0.01 -1.26 -4.93 113.70 113.08 1nbx s SER 27 Ca 0.00 1.28 -0.01 0.00 1.31 0.00 0.00 55.95 58.53 1nbx s SER 27 Cb 0.00 -2.37 -0.01 0.00 0.21 0.00 0.00 66.02 63.86 1nbx s SER 27 CO 0.00 -0.10 -0.12 -0.89 0.41 0.00 0.00 173.24 172.54 1nbx s THR 28 N -1.78 2.92 -0.17 1.44 2.01 0.64 -2.49 115.64 118.20 1nbx s THR 28 Ca 0.49 -0.68 0.00 0.00 0.31 0.00 0.00 61.69 61.81 1nbx s THR 28 Cb -0.13 -2.26 0.01 0.00 0.01 0.00 0.00 72.50 70.13 1nbx s THR 28 CO 0.19 0.50 -0.16 -0.36 -0.69 0.00 0.00 174.62 174.09 1nbx s PHE 29 N 0.90 2.79 -0.30 4.92 0.40 -0.15 0.34 117.98 126.88 1nbx s PHE 29 Ca -0.03 -1.28 -0.05 0.00 -0.60 0.00 0.00 56.93 54.97 1nbx s PHE 29 Cb -0.15 -1.93 0.02 0.00 0.51 0.00 0.00 43.02 41.48 1nbx s PHE 29 CO -0.01 -0.62 0.06 0.42 0.70 0.00 0.00 175.22 175.77 1nbx s ILE 30 N 1.09 3.66 -0.02 0.64 1.01 0.72 -0.25 121.20 128.06 1nbx s ILE 30 Ca -0.00 -0.91 0.07 0.00 0.00 0.00 0.00 60.65 59.81 1nbx s ILE 30 Cb -0.14 -2.94 -0.02 0.00 0.01 0.00 0.00 42.46 39.37 1nbx s ILE 30 CO -0.05 0.02 -0.22 0.68 0.00 0.00 0.00 174.94 175.37 1nbx s VAL 31 N 1.43 1.75 -0.22 2.92 -7.23 -0.06 -1.70 120.40 117.29 1nbx s VAL 31 Ca 0.01 -0.95 -0.04 0.00 -1.81 0.00 0.00 61.98 59.19 1nbx s VAL 31 Cb -0.18 -1.45 -0.01 0.00 0.56 0.00 0.00 36.38 35.30 1nbx s VAL 31 CO 0.01 0.49 -0.04 -0.89 -0.31 0.00 0.00 175.10 174.36 1nbx s THR 32 N -0.52 3.41 -0.44 5.32 2.01 0.10 -0.73 115.64 124.80 1nbx s THR 32 Ca 0.09 -0.48 -0.19 0.00 0.31 0.00 0.00 61.69 61.41 1nbx s THR 32 Cb -0.09 -2.55 0.03 0.00 0.01 0.00 0.00 72.50 69.90 1nbx s THR 32 CO -0.01 0.42 0.56 0.00 -0.69 0.00 0.00 174.62 174.91 1nbx s ALA 33 N 1.42 3.38 0.57 7.40 0.00 -1.26 -1.89 121.76 131.38 1nbx s ALA 33 Ca 0.05 -1.38 -0.14 0.00 0.00 0.00 0.00 51.96 50.50 1nbx s ALA 33 Cb -0.14 -3.21 -0.06 0.00 0.00 0.00 0.00 23.12 19.71 1nbx s ALA 33 CO -0.03 -1.73 1.01 0.20 0.00 0.00 0.00 175.76 175.21 1nbx s GLY 34 N 1.98 1.88 0.52 0.00 0.00 0.61 -4.90 107.32 107.41 1nbx s GLY 34 Ca 0.18 0.06 0.31 0.00 0.00 0.00 0.00 44.72 45.27 1nbx s GLY 34 CO 0.16 0.34 1.95 0.00 0.00 0.00 0.00 173.10 175.55 1nbx h ALA 35 N 0.31 1.02 -0.24 3.20 0.00 -1.98 -1.77 119.26 119.80 1nbx h ALA 35 Ca -0.45 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1nbx h ALA 35 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1nbx h ALA 35 CO 0.61 0.08 0.00 -0.40 0.00 0.00 0.00 179.25 179.54 1nbx n ASP 36 N -3.19 1.93 0.00 0.00 5.75 -1.26 -4.93 116.55 114.84 1nbx n ASP 36 Ca 0.00 -1.81 0.00 0.00 -0.01 0.00 0.00 54.79 52.97 1nbx n ASP 36 Cb 0.33 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.26 1nbx n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1nbx n GLY 37 N 1.16 0.74 3.80 6.12 0.00 -0.66 -4.99 105.19 111.36 1nbx n GLY 37 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.19 3.41 -0.11 4.61 0.00 -1.25 -1.40 121.76 124.83 1nbx s ALA 38 Ca 0.00 0.26 0.03 0.00 0.00 0.00 0.00 51.96 52.25 1nbx s ALA 38 Cb 0.00 -2.89 -0.00 0.00 0.00 0.00 0.00 23.12 20.23 1nbx s ALA 38 CO 0.00 0.31 -0.22 -0.51 0.00 0.00 0.00 175.76 175.34 1nbx s LEU 39 N -1.68 2.20 0.05 0.00 1.02 0.59 -0.28 118.68 120.57 1nbx s LEU 39 Ca 0.41 -0.52 0.02 0.00 0.02 0.00 0.00 54.13 54.05 1nbx s LEU 39 Cb -0.19 -1.45 -0.03 0.00 0.02 0.00 0.00 46.19 44.54 1nbx s LEU 39 CO 0.23 0.15 -0.07 0.42 0.02 0.00 0.00 176.35 177.10 1nbx s THR 40 N 0.39 0.54 -3.55 5.49 -4.23 -0.79 -0.73 115.64 112.76 1nbx s THR 40 Ca -0.16 -1.18 0.00 0.00 -1.18 0.00 0.00 61.69 59.16 1nbx s THR 40 Cb -0.17 -0.73 0.00 0.00 1.34 0.00 0.00 72.50 72.93 1nbx s THR 40 CO 0.07 -0.45 0.00 0.61 -0.54 0.00 0.00 174.62 174.32 1nbx n GLY 41 N 1.28 -0.56 3.04 3.99 0.00 -0.84 -0.72 105.19 111.39 1nbx n GLY 41 Ca -0.22 -0.76 -0.09 0.00 0.00 0.00 0.00 46.02 44.95 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 -3.62 0.28 -0.17 2.61 -4.23 -0.69 -1.14 115.64 108.68 1nbx s THR 42 Ca 0.00 -1.25 0.01 0.00 -1.18 0.00 0.00 61.69 59.27 1nbx s THR 42 Cb 0.00 -0.75 0.01 0.00 1.34 0.00 0.00 72.50 73.09 1nbx s THR 42 CO 0.00 -0.63 -0.17 0.00 -0.54 0.00 0.00 174.62 173.28 1nbx s ALA 43 N -2.21 2.42 -0.17 3.99 0.00 -0.15 -0.20 121.76 125.44 1nbx s ALA 43 Ca -0.07 -1.13 0.01 0.00 0.00 0.00 0.00 51.96 50.77 1nbx s ALA 43 Cb -0.04 -1.22 0.03 0.00 0.00 0.00 0.00 23.12 21.89 1nbx s ALA 43 CO -0.03 -0.18 -0.15 -1.21 0.00 0.00 0.00 175.76 174.18 1nbx s GLU 44 N 1.05 2.49 -0.24 0.00 2.02 0.15 -0.68 118.70 123.49 1nbx s GLU 44 Ca -0.01 -0.74 0.06 0.00 0.02 0.00 0.00 54.97 54.30 1nbx s GLU 44 Cb -0.14 -2.35 -0.19 0.00 0.10 0.00 0.00 34.13 31.54 1nbx s GLU 44 CO -0.05 -0.27 -0.15 0.43 0.02 0.00 0.00 175.26 175.23 1nbx n SER 45 N 4.69 1.51 0.00 -0.19 7.64 -1.26 -0.26 113.62 125.74 1nbx n SER 45 Ca -0.18 -0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.60 1nbx n SER 45 Cb 0.49 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 1nbx n SER 45 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1nbx n GLU 51 N -3.14 0.00 -0.40 1.43 4.71 -1.26 -4.81 120.64 117.17 1nbx n GLU 51 Ca -0.43 0.00 0.08 0.00 -0.01 0.00 0.00 57.16 56.80 1nbx n GLU 51 Cb 1.03 0.00 0.24 0.00 -1.01 0.00 0.00 31.44 31.70 1nbx n GLU 51 CO 0.00 0.00 0.00 0.43 0.09 0.00 0.00 177.13 177.65 1nbx n SER 52 N 0.00 3.72 -4.41 1.62 7.64 -1.26 -4.76 113.62 116.17 1nbx n SER 52 Ca 0.00 -2.83 -0.33 0.00 1.01 0.00 0.00 58.87 56.72 1nbx n SER 52 Cb 0.00 -0.49 -0.14 0.00 -1.01 0.00 0.00 64.21 62.57 1nbx n SER 52 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 1nbx s ARG 53 N -2.49 3.03 0.04 1.43 3.52 -1.26 -4.18 118.95 119.05 1nbx s ARG 53 Ca 0.39 -0.69 0.02 0.00 -0.13 0.00 0.00 55.73 55.32 1nbx s ARG 53 Cb 0.30 -2.53 -0.02 0.00 -1.56 0.00 0.00 34.95 31.14 1nbx s ARG 53 CO 0.10 0.38 -0.08 0.71 -0.81 0.00 0.00 175.30 175.60 1nbx s TYR 54 N -0.09 0.67 0.25 5.12 2.02 0.15 -4.81 117.35 120.67 1nbx s TYR 54 Ca -0.02 -0.48 -0.30 0.00 -0.37 0.00 0.00 57.07 55.91 1nbx s TYR 54 Cb -0.14 -0.40 -0.09 0.00 -0.40 0.00 0.00 41.96 40.93 1nbx s TYR 54 CO 0.04 -0.08 1.07 0.08 -1.57 0.00 0.00 175.55 175.09 1nbx s VAL 55 N -1.31 3.67 0.12 0.71 1.01 -1.26 -0.98 120.40 122.36 1nbx s VAL 55 Ca -0.09 1.63 0.08 0.00 0.00 0.00 0.00 61.98 63.61 1nbx s VAL 55 Cb -0.10 -4.04 -0.04 0.00 0.00 0.00 0.00 36.38 32.20 1nbx s VAL 55 CO 0.00 0.37 -0.15 -1.48 0.00 0.00 0.00 175.10 173.84 1nbx s LEU 56 N -1.19 2.82 -0.00 3.92 0.05 -0.29 -4.33 118.68 119.65 1nbx s LEU 56 Ca 0.45 -0.51 -0.15 0.00 0.05 0.00 0.00 54.13 53.97 1nbx s LEU 56 Cb -0.30 -1.64 0.02 0.00 -2.05 0.00 0.00 46.19 42.22 1nbx s LEU 56 CO 0.38 0.17 0.32 0.28 -0.55 0.00 0.00 176.35 176.95 1nbx s THR 57 N -1.19 0.06 0.00 5.48 -1.32 -0.76 -1.98 115.64 115.94 1nbx s THR 57 Ca 0.19 -0.51 0.00 0.00 -1.21 0.00 0.00 61.69 60.16 1nbx s THR 57 Cb -0.11 -0.70 0.00 0.00 -1.51 0.00 0.00 72.50 70.19 1nbx s THR 57 CO 0.12 -0.28 0.00 0.61 -2.21 0.00 0.00 174.62 172.85 1nbx n GLY 58 N 1.11 0.99 3.04 6.08 0.00 0.09 -0.67 105.19 115.83 1nbx n GLY 58 Ca -0.21 -0.72 -0.09 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.25 0.44 0.11 1.61 1.81 -0.62 -0.30 118.95 121.74 1nbx s ARG 59 Ca 0.00 -0.77 -0.06 0.00 -1.72 0.00 0.00 55.73 53.19 1nbx s ARG 59 Cb 0.00 0.16 -0.02 0.00 -0.45 0.00 0.00 34.95 34.64 1nbx s ARG 59 CO 0.00 -0.08 0.14 1.52 -0.68 0.00 0.00 175.30 176.20 1nbx s TYR 60 N -2.23 0.42 -0.54 -0.53 1.13 -0.49 -1.46 117.35 113.65 1nbx s TYR 60 Ca -0.09 -0.85 -0.28 0.00 -1.41 0.00 0.00 57.07 54.44 1nbx s TYR 60 Cb -0.04 -0.21 0.02 0.00 -1.10 0.00 0.00 41.96 40.63 1nbx s TYR 60 CO -0.04 -0.55 1.35 0.34 -2.51 0.00 0.00 175.55 174.15 1nbx s ASP 61 N -2.93 6.26 0.00 -0.18 2.15 -0.54 -4.63 116.67 116.80 1nbx s ASP 61 Ca 0.12 0.34 0.31 0.00 0.43 0.00 0.00 52.55 53.75 1nbx s ASP 61 Cb 0.06 -2.55 1.76 0.00 -0.30 0.00 0.00 42.92 41.89 1nbx s ASP 61 CO -0.06 -1.59 2.16 -1.54 -0.17 0.00 0.00 175.17 173.97 1nbx n SER 62 N 9.10 0.01 -3.25 -0.34 3.41 -1.26 -4.07 113.62 117.22 1nbx n SER 62 Ca 0.12 -0.69 -0.25 0.00 -0.26 0.00 0.00 58.87 57.79 1nbx n SER 62 Cb 0.49 -0.10 -0.08 0.00 -0.26 0.00 0.00 64.21 64.26 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 -1.10 2.57 -1.60 7.33 0.00 -1.26 -5.04 120.51 121.41 1nbx n ALA 63 Ca 0.20 -3.32 -0.31 0.00 0.00 0.00 0.00 53.44 50.02 1nbx n ALA 63 Cb 0.16 -0.79 0.06 0.00 0.00 0.00 0.00 19.45 18.88 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 -0.81 2.69 0.89 0.00 0.04 -1.26 -5.03 135.00 131.52 1nbx s PRO 64 Ca 0.34 0.81 -0.12 0.00 0.04 0.00 0.00 61.00 62.08 1nbx s PRO 64 Cb 0.13 -1.97 0.12 0.00 0.04 0.00 0.00 34.50 32.82 1nbx s PRO 64 CO -0.14 -1.23 1.09 0.00 0.04 0.00 0.00 177.00 176.76 1nbx s ALA 65 N -3.11 1.62 -0.42 8.56 0.00 -1.26 -4.97 121.76 122.19 1nbx s ALA 65 Ca 0.59 -0.12 0.06 0.00 0.00 0.00 0.00 51.96 52.49 1nbx s ALA 65 Cb -0.14 -3.17 0.43 0.00 0.00 0.00 0.00 23.12 20.24 1nbx s ALA 65 CO 0.55 -2.29 1.11 0.25 0.00 0.00 0.00 175.76 175.37 1nbx n THR 66 N -3.83 2.29 -0.87 0.00 -2.24 -1.26 -4.69 114.28 103.68 1nbx n THR 66 Ca 0.07 -4.73 0.08 0.00 -2.27 0.00 0.00 64.05 57.20 1nbx n THR 66 Cb 0.56 -1.11 0.18 0.00 -2.10 0.00 0.00 70.33 67.85 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 -0.47 3.00 0.00 3.42 5.75 -1.26 -4.93 116.55 122.05 1nbx n ASP 67 Ca 0.37 -2.87 0.00 0.00 -0.01 0.00 0.00 54.79 52.28 1nbx n ASP 67 Cb 0.70 -0.42 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 1nbx n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1nbx n GLY 68 N -0.81 0.75 3.81 6.12 0.00 -1.26 -5.06 105.19 108.74 1nbx n GLY 68 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.54 6.40 0.92 1.61 0.01 -1.26 -5.06 113.70 113.77 1nbx s SER 69 Ca 0.00 1.82 -0.11 0.00 1.31 0.00 0.00 55.95 58.96 1nbx s SER 69 Cb 0.00 -2.54 0.20 0.00 0.21 0.00 0.00 66.02 63.89 1nbx s SER 69 CO 0.00 -0.74 1.25 -0.83 0.41 0.00 0.00 173.24 173.33 1nbx s GLY 70 N -2.30 1.80 -0.24 3.44 0.00 -1.26 -4.86 107.32 103.91 1nbx s GLY 70 Ca 0.65 -1.52 -0.08 0.00 0.00 0.00 0.00 44.72 43.76 1nbx s GLY 70 CO 0.23 -0.75 0.09 -1.59 0.00 0.00 0.00 173.10 171.08 1nbx s THR 71 N -3.71 4.63 0.31 0.90 2.01 0.10 -4.83 115.64 115.06 1nbx s THR 71 Ca 0.74 -0.07 -0.28 0.00 0.31 0.00 0.00 61.69 62.39 1nbx s THR 71 Cb -0.03 -3.16 -0.10 0.00 0.01 0.00 0.00 72.50 69.23 1nbx s THR 71 CO 0.51 0.35 1.15 0.00 -0.69 0.00 0.00 174.62 175.94 1nbx s ALA 72 N 1.32 3.38 0.27 7.40 0.00 -1.26 -0.73 121.76 132.14 1nbx s ALA 72 Ca 0.05 0.97 -0.15 0.00 0.00 0.00 0.00 51.96 52.84 1nbx s ALA 72 Cb -0.15 -3.36 0.01 0.00 0.00 0.00 0.00 23.12 19.62 1nbx s ALA 72 CO 0.04 -0.30 0.57 -0.48 0.00 0.00 0.00 175.76 175.59 1nbx s LEU 73 N -1.72 0.18 0.04 0.00 0.05 -0.59 -1.47 118.68 115.18 1nbx s LEU 73 Ca 0.48 -0.90 -0.26 0.00 0.05 0.00 0.00 54.13 53.50 1nbx s LEU 73 Cb -0.33 2.11 0.06 0.00 -2.05 0.00 0.00 46.19 45.98 1nbx s LEU 73 CO 0.42 -1.26 0.61 -0.83 -0.55 0.00 0.00 176.35 174.75 1nbx s GLY 74 N -3.01 -0.55 0.17 -3.48 0.00 -0.54 -1.47 107.32 98.45 1nbx s GLY 74 Ca 0.19 0.86 -0.12 0.00 0.00 0.00 0.00 44.72 45.66 1nbx s GLY 74 CO 0.09 0.53 0.37 0.66 0.00 0.00 0.00 173.10 174.76 1nbx s TRP 75 N -2.31 0.20 -0.02 1.90 -2.14 -0.61 -1.59 118.94 114.37 1nbx s TRP 75 Ca -0.06 -0.56 0.04 0.00 2.66 0.00 0.00 56.10 58.19 1nbx s TRP 75 Cb -0.01 0.11 -0.01 0.00 -3.10 0.00 0.00 33.47 30.47 1nbx s TRP 75 CO -0.00 -0.79 -0.15 0.99 -2.66 0.00 0.00 176.95 174.34 1nbx s THR 76 N -3.93 1.19 -0.20 0.66 2.01 0.16 -0.78 115.64 114.74 1nbx s THR 76 Ca 0.14 -0.61 0.00 0.00 0.31 0.00 0.00 61.69 61.53 1nbx s THR 76 Cb 0.02 -1.01 0.02 0.00 0.01 0.00 0.00 72.50 71.54 1nbx s THR 76 CO -0.01 0.34 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.42 1nbx s VAL 77 N -0.13 2.37 -0.05 3.82 1.01 -0.41 -1.82 120.40 125.20 1nbx s VAL 77 Ca 0.01 -0.94 -0.24 0.00 0.00 0.00 0.00 61.98 60.81 1nbx s VAL 77 Cb -0.08 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 1nbx s VAL 77 CO 0.00 0.43 0.72 0.00 0.00 0.00 0.00 175.10 176.25 1nbx s ALA 78 N 1.31 3.33 -1.33 5.51 0.00 -1.26 -1.04 121.76 128.28 1nbx s ALA 78 Ca 0.03 0.17 -0.05 0.00 0.00 0.00 0.00 51.96 52.11 1nbx s ALA 78 Cb -0.14 -2.97 0.12 0.00 0.00 0.00 0.00 23.12 20.12 1nbx s ALA 78 CO -0.10 -0.08 2.40 0.91 0.00 0.00 0.00 175.76 178.89 1nbx n TRP 79 N 3.63 2.59 -4.45 0.00 7.02 0.21 -4.75 117.44 121.70 1nbx n TRP 79 Ca -0.01 -2.83 -0.22 0.00 -1.02 0.00 0.00 57.50 53.42 1nbx n TRP 79 Cb 0.51 -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 -1.09 1.24 0.00 -0.99 2.20 -1.26 -0.68 119.74 119.16 1nbx s LYS 80 Ca 0.54 -0.33 0.00 0.00 -0.36 0.00 0.00 55.97 55.83 1nbx s LYS 80 Cb 0.19 -1.10 0.00 0.00 -1.51 0.00 0.00 37.83 35.40 1nbx s LYS 80 CO -0.10 0.06 0.00 0.27 -0.36 0.00 0.00 175.35 175.22 1nbx n ASN 81 N 3.59 0.26 0.03 1.43 0.23 -0.79 -4.76 115.26 115.25 1nbx n ASN 81 Ca -0.21 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 53.97 1nbx n ASN 81 Cb 0.53 0.00 0.46 0.00 -2.08 0.00 0.00 39.78 38.68 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 0.00 0.37 -0.05 0.53 5.03 -1.26 -3.84 115.26 116.04 1nbx n ASN 82 Ca 0.00 0.37 -0.06 0.00 0.87 0.00 0.00 54.58 55.76 1nbx n ASN 82 Cb 0.00 -0.40 -0.08 0.00 -1.02 0.00 0.00 39.78 38.29 1nbx n ASN 82 CO 0.00 0.00 0.00 -1.22 -1.83 0.00 0.00 177.26 174.21 1nbx n TYR 83 N -1.77 0.00 -4.04 3.10 4.01 -1.26 -5.08 117.16 112.11 1nbx n TYR 83 Ca 0.06 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.71 1nbx n TYR 83 Cb 0.37 -0.51 -0.08 0.00 -0.31 0.00 0.00 39.34 38.81 1nbx n TYR 83 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1nbx s ARG 84 N -2.25 1.01 -0.29 -0.72 0.52 -1.25 -5.14 118.95 110.83 1nbx s ARG 84 Ca -0.08 -1.28 -0.08 0.00 -0.52 0.00 0.00 55.73 53.77 1nbx s ARG 84 Cb 0.03 0.31 0.14 0.00 0.52 0.00 0.00 34.95 35.95 1nbx s ARG 84 CO 0.39 -0.33 0.61 1.21 0.02 0.00 0.00 175.30 177.21 1nbx s ASN 85 N -3.00 -1.08 0.00 0.23 3.84 -1.26 -1.88 114.94 111.79 1nbx s ASN 85 Ca 0.19 1.36 0.22 0.00 0.21 0.00 0.00 52.86 54.84 1nbx s ASN 85 Cb 0.05 2.17 0.51 0.00 -0.55 0.00 0.00 41.25 43.43 1nbx s ASN 85 CO -0.00 -0.23 1.44 0.00 -2.79 0.00 0.00 177.10 175.52 1nbx n ALA 86 N 5.44 2.42 -3.87 1.71 0.00 0.14 -4.95 120.51 121.40 1nbx n ALA 86 Ca -0.09 -0.98 -0.25 0.00 0.00 0.00 0.00 53.44 52.11 1nbx n ALA 86 Cb 0.49 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 19.03 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 1.35 -1.83 -3.81 0.00 8.25 -1.26 -4.84 115.22 113.09 1nbx n HIS 87 Ca 0.20 0.80 -0.10 0.00 -0.26 0.00 0.00 57.72 58.37 1nbx n HIS 87 Cb 0.56 -3.96 -0.06 0.00 1.12 0.00 0.00 29.99 27.66 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 -4.17 -0.09 -0.03 0.41 1.04 -1.26 -0.96 113.70 108.64 1nbx s SER 88 Ca 0.13 -0.61 -0.06 0.00 0.48 0.00 0.00 55.95 55.89 1nbx s SER 88 Cb -0.07 0.47 0.01 0.00 0.10 0.00 0.00 66.02 66.53 1nbx s SER 88 CO 0.86 -0.90 0.15 0.00 0.98 0.00 0.00 173.24 174.32 1nbx s ALA 89 N -3.89 -0.35 -0.05 5.32 0.00 -0.31 -0.62 121.76 121.86 1nbx s ALA 89 Ca 0.10 0.13 0.05 0.00 0.00 0.00 0.00 51.96 52.23 1nbx s ALA 89 Cb 0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.06 1nbx s ALA 89 CO -0.05 -0.15 -0.19 0.99 0.00 0.00 0.00 175.76 176.36 1nbx s THR 90 N -0.71 2.63 -0.05 0.00 2.01 -0.21 -0.63 115.64 118.68 1nbx s THR 90 Ca -0.08 -0.88 0.06 0.00 0.31 0.00 0.00 61.69 61.11 1nbx s THR 90 Cb -0.05 -2.00 -0.01 0.00 0.01 0.00 0.00 72.50 70.45 1nbx s THR 90 CO 0.01 0.58 -0.25 0.42 -0.69 0.00 0.00 174.62 174.69 1nbx s THR 91 N -0.49 2.00 -0.09 -0.82 -4.23 -0.41 -1.28 115.64 110.31 1nbx s THR 91 Ca 0.06 -1.05 0.01 0.00 -1.18 0.00 0.00 61.69 59.54 1nbx s THR 91 Cb -0.12 -1.69 -0.02 0.00 1.34 0.00 0.00 72.50 72.02 1nbx s THR 91 CO 0.01 0.56 -0.12 0.26 -0.54 0.00 0.00 174.62 174.79 1nbx s TRP 92 N -0.25 2.80 -0.09 3.99 0.51 0.04 -1.88 118.94 124.06 1nbx s TRP 92 Ca -0.01 -0.34 0.03 0.00 -2.12 0.00 0.00 56.10 53.67 1nbx s TRP 92 Cb -0.13 -1.75 0.01 0.00 -0.81 0.00 0.00 33.47 30.79 1nbx s TRP 92 CO 0.03 0.03 -0.17 0.45 -0.51 0.00 0.00 176.95 176.78 1nbx s SER 93 N -0.23 2.38 0.00 2.95 0.15 0.43 -1.57 113.70 117.80 1nbx s SER 93 Ca 0.02 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.25 1nbx s SER 93 Cb -0.13 -1.09 0.00 0.00 -1.71 0.00 0.00 66.02 63.09 1nbx s SER 93 CO 0.03 0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.15 1nbx n GLY 94 N 3.83 1.02 3.18 9.45 0.00 -0.54 -0.99 105.19 121.14 1nbx n GLY 94 Ca -0.21 -0.49 -0.12 0.00 0.00 0.00 0.00 46.02 45.20 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 1.34 0.58 -0.03 1.61 -2.07 -0.72 -1.54 119.66 118.84 1nbx s GLN 95 Ca 0.00 -0.27 -0.21 0.00 -1.82 0.00 0.00 55.36 53.06 1nbx s GLN 95 Cb 0.00 0.25 -0.05 0.00 -1.09 0.00 0.00 33.01 32.12 1nbx s GLN 95 CO 0.00 -0.15 0.62 -0.47 -1.32 0.00 0.00 175.29 173.97 1nbx s TYR 96 N -1.32 3.64 -0.21 9.60 5.04 0.09 -1.48 117.35 132.71 1nbx s TYR 96 Ca -0.14 1.20 0.01 0.00 -2.44 0.00 0.00 57.07 55.71 1nbx s TYR 96 Cb -0.06 -2.67 0.04 0.00 0.35 0.00 0.00 41.96 39.62 1nbx s TYR 96 CO 0.03 0.26 -0.13 0.08 -1.34 0.00 0.00 175.55 174.45 1nbx s VAL 97 N 0.16 1.90 0.99 3.14 1.01 0.50 -0.72 120.40 127.38 1nbx s VAL 97 Ca 0.33 -1.16 -0.16 0.00 0.00 0.00 0.00 61.98 60.98 1nbx s VAL 97 Cb -0.18 -1.91 0.20 0.00 0.00 0.00 0.00 36.38 34.49 1nbx s VAL 97 CO 0.17 0.21 1.25 -0.83 0.00 0.00 0.00 175.10 175.90 1nbx s GLY 98 N 1.29 1.70 0.00 4.51 0.00 -1.26 -0.86 107.32 112.70 1nbx s GLY 98 Ca -0.02 -1.03 0.00 0.00 0.00 0.00 0.00 44.72 43.67 1nbx s GLY 98 CO -0.09 -0.28 0.00 0.61 0.00 0.00 0.00 173.10 173.34 1nbx n GLY 99 N -2.97 -0.36 0.48 0.20 0.00 -1.26 -4.59 105.19 96.68 1nbx n GLY 99 Ca 0.13 -2.22 -0.17 0.00 0.00 0.00 0.00 46.02 43.76 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 -1.06 -2.30 4.61 0.00 -2.06 -3.10 119.26 115.35 1nbx h ALA 100 Ca 0.00 -0.14 -0.74 0.00 0.00 0.00 0.00 54.91 54.03 1nbx h ALA 100 Cb 0.00 0.81 -0.33 0.00 0.00 0.00 0.00 17.79 18.28 1nbx h ALA 100 CO 0.00 -1.14 0.24 0.39 0.00 0.00 0.00 179.25 178.74 1nbx n GLU 101 N -5.40 3.49 -1.83 0.00 1.02 -1.26 -5.05 120.64 111.61 1nbx n GLU 101 Ca -0.10 -4.55 -0.40 0.00 -0.02 0.00 0.00 57.16 52.10 1nbx n GLU 101 Cb 0.42 -2.44 0.02 0.00 -0.02 0.00 0.00 31.44 29.42 1nbx n GLU 101 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1nbx s ALA 102 N -2.17 3.20 0.14 0.62 0.00 -1.17 -4.91 121.76 117.46 1nbx s ALA 102 Ca 0.32 1.43 -0.12 0.00 0.00 0.00 0.00 51.96 53.59 1nbx s ALA 102 Cb 0.02 -3.58 0.01 0.00 0.00 0.00 0.00 23.12 19.57 1nbx s ALA 102 CO -0.00 -1.17 0.32 -0.98 0.00 0.00 0.00 175.76 173.93 1nbx s ARG 103 N -2.47 1.07 -0.23 0.00 1.70 -0.04 -4.36 118.95 114.63 1nbx s ARG 103 Ca 0.61 -0.95 -0.01 0.00 -0.47 0.00 0.00 55.73 54.91 1nbx s ARG 103 Cb -0.43 0.41 0.02 0.00 -0.57 0.00 0.00 34.95 34.38 1nbx s ARG 103 CO 0.55 -0.40 -0.10 0.42 -1.08 0.00 0.00 175.30 174.69 1nbx s ILE 104 N -3.88 2.72 -0.19 4.99 1.01 -0.15 -0.37 121.20 125.32 1nbx s ILE 104 Ca 0.09 -0.94 -0.14 0.00 0.00 0.00 0.00 60.65 59.66 1nbx s ILE 104 Cb 0.03 -2.31 -0.04 0.00 0.01 0.00 0.00 42.46 40.14 1nbx s ILE 104 CO -0.07 0.31 0.30 0.20 0.00 0.00 0.00 174.94 175.68 1nbx s ASN 105 N 1.33 6.37 0.11 3.58 0.01 -0.55 -1.52 114.94 124.27 1nbx s ASN 105 Ca 0.02 0.43 0.01 0.00 -0.71 0.00 0.00 52.86 52.61 1nbx s ASN 105 Cb -0.15 -2.18 -0.04 0.00 0.41 0.00 0.00 41.25 39.28 1nbx s ASN 105 CO -0.06 0.04 -0.03 0.42 -1.51 0.00 0.00 177.10 175.95 1nbx s THR 106 N 0.86 0.58 0.07 1.60 -4.23 -0.15 -1.75 115.64 112.63 1nbx s THR 106 Ca 0.15 -1.93 0.09 0.00 -1.18 0.00 0.00 61.69 58.82 1nbx s THR 106 Cb -0.14 -1.81 -0.03 0.00 1.34 0.00 0.00 72.50 71.86 1nbx s THR 106 CO 0.05 -0.75 -0.22 -1.10 -0.54 0.00 0.00 174.62 172.06 1nbx s GLN 107 N -3.88 1.84 0.13 3.99 -0.21 -0.16 -2.25 119.66 119.11 1nbx s GLN 107 Ca 0.15 -1.11 0.05 0.00 0.02 0.00 0.00 55.36 54.47 1nbx s GLN 107 Cb 0.06 -2.08 -0.04 0.00 1.00 0.00 0.00 33.01 31.95 1nbx s GLN 107 CO -0.03 0.51 -0.11 1.67 -2.12 0.00 0.00 175.29 175.21 1nbx s TRP 108 N -0.96 1.23 -0.07 0.91 1.48 -0.30 -0.43 118.94 120.80 1nbx s TRP 108 Ca 0.14 -0.69 0.02 0.00 -1.06 0.00 0.00 56.10 54.52 1nbx s TRP 108 Cb -0.10 -0.64 0.01 0.00 -1.16 0.00 0.00 33.47 31.58 1nbx s TRP 108 CO 0.06 0.07 -0.11 -0.51 -4.06 0.00 0.00 176.95 172.39 1nbx s LEU 109 N -2.81 1.59 -0.20 -4.66 1.43 -0.79 -1.79 118.68 111.45 1nbx s LEU 109 Ca 0.12 -0.28 -0.02 0.00 -1.03 0.00 0.00 54.13 52.92 1nbx s LEU 109 Cb -0.01 -0.79 0.00 0.00 0.03 0.00 0.00 46.19 45.43 1nbx s LEU 109 CO 0.01 0.02 -0.11 -0.22 0.23 0.00 0.00 176.35 176.28 1nbx s LEU 110 N 0.75 2.59 -0.14 1.79 2.96 -0.01 -1.29 118.68 125.32 1nbx s LEU 110 Ca -0.13 -0.49 -0.01 0.00 -0.22 0.00 0.00 54.13 53.27 1nbx s LEU 110 Cb -0.15 -1.64 -0.02 0.00 0.50 0.00 0.00 46.19 44.88 1nbx s LEU 110 CO 0.03 -0.01 -0.10 -0.89 -1.32 0.00 0.00 176.35 174.05 1nbx s THR 111 N 1.40 3.32 0.06 3.68 2.01 0.20 -0.66 115.64 125.64 1nbx s THR 111 Ca 0.05 -0.57 0.01 0.00 0.31 0.00 0.00 61.69 61.50 1nbx s THR 111 Cb -0.14 -2.41 -0.04 0.00 0.01 0.00 0.00 72.50 69.92 1nbx s THR 111 CO -0.07 0.52 0.12 -0.44 -0.69 0.00 0.00 174.62 174.05 1nbx s SER 112 N 0.34 5.80 -0.05 3.53 0.01 -0.62 -1.17 113.70 121.55 1nbx s SER 112 Ca -0.09 0.10 -0.30 0.00 1.31 0.00 0.00 55.95 56.98 1nbx s SER 112 Cb -0.15 -1.65 -0.03 0.00 0.21 0.00 0.00 66.02 64.39 1nbx s SER 112 CO 0.05 0.19 1.21 -0.83 0.41 0.00 0.00 173.24 174.27 1nbx s GLY 113 N -2.30 2.10 0.30 3.44 0.00 -0.14 -4.85 107.32 105.88 1nbx s GLY 113 Ca 0.30 0.64 0.11 0.00 0.00 0.00 0.00 44.72 45.77 1nbx s GLY 113 CO 0.22 2.22 -0.14 -0.51 0.00 0.00 0.00 173.10 174.90 1nbx s THR 114 N 2.18 2.49 0.96 0.90 -4.23 -1.26 -5.03 115.64 111.65 1nbx s THR 114 Ca 0.56 -2.27 -0.14 0.00 -1.18 0.00 0.00 61.69 58.66 1nbx s THR 114 Cb -0.25 -2.49 0.17 0.00 1.34 0.00 0.00 72.50 71.27 1nbx s THR 114 CO 0.22 -0.32 1.19 0.42 -0.54 0.00 0.00 174.62 175.60 1nbx s THR 115 N -2.53 1.93 0.26 3.99 -4.23 -1.26 -4.92 115.64 108.89 1nbx s THR 115 Ca 0.31 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.79 1nbx s THR 115 Cb -0.02 -2.81 0.25 0.00 1.34 0.00 0.00 72.50 71.25 1nbx s THR 115 CO 0.16 0.00 1.85 -0.33 -0.54 0.00 0.00 174.62 175.77 1nbx h GLU 116 N -1.66 1.00 -0.40 3.99 4.39 -2.01 -1.56 114.58 118.32 1nbx h GLU 116 Ca -0.47 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.17 1nbx h GLU 116 Cb 1.30 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 1nbx h GLU 116 CO 0.51 0.66 0.00 0.00 -1.16 0.00 0.00 179.01 179.02 1nbx n ALA 117 N -2.36 2.44 -0.02 3.43 0.00 -1.26 -3.12 120.51 119.62 1nbx n ALA 117 Ca 0.15 -0.74 0.02 0.00 0.00 0.00 0.00 53.44 52.87 1nbx n ALA 117 Cb 0.22 -0.98 0.04 0.00 0.00 0.00 0.00 19.45 18.74 1nbx n ALA 117 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1nbx n ASN 118 N 0.74 2.09 0.19 0.00 5.03 -0.60 -4.75 115.26 117.96 1nbx n ASN 118 Ca 0.15 -1.86 0.06 0.00 0.87 0.00 0.00 54.58 53.80 1nbx n ASN 118 Cb 0.37 -0.05 0.35 0.00 -1.02 0.00 0.00 39.78 39.43 1nbx n ASN 118 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1nbx h ALA 119 N 0.56 1.01 0.00 5.41 0.00 -1.47 -2.19 119.26 122.59 1nbx h ALA 119 Ca 0.00 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1nbx h ALA 119 Cb 0.49 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1nbx h ALA 119 CO 0.00 0.45 -0.01 0.11 0.00 0.00 0.00 179.25 179.80 1nbx h TRP 120 N 0.00 0.00 -0.44 0.00 5.08 -1.85 -1.48 115.95 117.26 1nbx h TRP 120 Ca -0.00 0.00 -0.20 0.00 1.08 0.00 0.00 58.89 59.77 1nbx h TRP 120 Cb 0.87 0.00 -0.12 0.00 -3.00 0.00 0.00 29.16 26.91 1nbx h TRP 120 CO 0.00 0.01 0.04 0.36 -1.28 0.00 0.00 178.44 177.57 1nbx n LYS 121 N -3.98 2.15 0.05 0.12 2.85 -0.82 -4.69 118.16 113.84 1nbx n LYS 121 Ca -0.03 -3.10 0.12 0.00 -1.05 0.00 0.00 58.31 54.25 1nbx n LYS 121 Cb 0.09 -1.89 0.29 0.00 -0.65 0.00 0.00 35.03 32.88 1nbx n LYS 121 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1nbx n SER 122 N -0.99 0.61 -3.97 -5.58 3.41 -0.56 -4.88 113.62 101.67 1nbx n SER 122 Ca 0.35 0.21 -0.28 0.00 -0.26 0.00 0.00 58.87 58.90 1nbx n SER 122 Cb 1.11 -0.13 -0.17 0.00 -0.26 0.00 0.00 64.21 64.76 1nbx n SER 122 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1nbx s THR 123 N -3.10 1.24 0.22 6.66 2.01 -1.26 -1.59 115.64 119.82 1nbx s THR 123 Ca 0.09 -0.44 -0.00 0.00 0.31 0.00 0.00 61.69 61.64 1nbx s THR 123 Cb 0.14 -1.20 -0.04 0.00 0.01 0.00 0.00 72.50 71.42 1nbx s THR 123 CO 0.66 0.40 0.41 -0.76 -0.69 0.00 0.00 174.62 174.64 1nbx s LEU 124 N 1.44 4.21 0.04 4.42 1.43 0.17 -4.92 118.68 125.47 1nbx s LEU 124 Ca 0.01 0.39 0.05 0.00 -1.03 0.00 0.00 54.13 53.55 1nbx s LEU 124 Cb -0.13 -3.17 -0.02 0.00 0.03 0.00 0.00 46.19 42.89 1nbx s LEU 124 CO -0.07 -0.08 -0.14 0.54 0.23 0.00 0.00 176.35 176.83 1nbx s VAL 125 N -1.93 1.12 0.00 -1.59 0.11 -1.26 -0.83 120.40 116.02 1nbx s VAL 125 Ca 0.38 -1.00 0.00 0.00 -2.93 0.00 0.00 61.98 58.44 1nbx s VAL 125 Cb -0.11 -1.02 0.00 0.00 -1.53 0.00 0.00 36.38 33.73 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 1.91 2.09 3.10 6.54 0.00 -0.74 -5.00 105.19 113.08 1nbx n GLY 126 Ca -0.18 -0.79 -0.10 0.00 0.00 0.00 0.00 46.02 44.95 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 -4.15 0.15 0.01 1.61 -3.43 -1.26 -1.15 115.29 107.07 1nbx s HIS 127 Ca 0.00 -0.38 -0.00 0.00 -0.80 0.00 0.00 55.06 53.88 1nbx s HIS 127 Cb 0.00 -0.12 -0.01 0.00 -1.43 0.00 0.00 32.58 31.02 1nbx s HIS 127 CO 0.00 -0.32 -0.01 -0.51 -2.00 0.00 0.00 174.74 171.90 1nbx s ASP 128 N -1.81 0.11 -0.14 7.38 1.01 -0.95 -4.95 116.67 117.33 1nbx s ASP 128 Ca -0.09 -0.24 0.01 0.00 0.71 0.00 0.00 52.55 52.94 1nbx s ASP 128 Cb -0.04 0.05 0.02 0.00 1.01 0.00 0.00 42.92 43.95 1nbx s ASP 128 CO -0.02 -0.14 -0.17 -0.89 0.21 0.00 0.00 175.17 174.15 1nbx s THR 129 N -0.70 1.72 -0.12 -1.27 2.01 -1.26 -0.97 115.64 115.05 1nbx s THR 129 Ca -0.08 -0.76 -0.05 0.00 0.31 0.00 0.00 61.69 61.12 1nbx s THR 129 Cb -0.05 -1.57 -0.04 0.00 0.01 0.00 0.00 72.50 70.86 1nbx s THR 129 CO -0.00 0.48 0.06 -0.36 -0.69 0.00 0.00 174.62 174.11 1nbx s PHE 130 N 1.11 3.33 0.17 4.92 0.40 -0.57 -3.11 117.98 124.23 1nbx s PHE 130 Ca -0.02 0.27 0.04 0.00 -0.60 0.00 0.00 56.93 56.62 1nbx s PHE 130 Cb -0.14 -1.91 -0.05 0.00 0.51 0.00 0.00 43.02 41.43 1nbx s PHE 130 CO -0.05 0.48 -0.07 0.99 0.70 0.00 0.00 175.22 177.26 1nbx s THR 131 N -0.62 1.13 -1.35 0.64 2.01 -0.65 -0.98 115.64 115.82 1nbx s THR 131 Ca 0.11 -2.05 0.27 0.00 0.31 0.00 0.00 61.69 60.32 1nbx s THR 131 Cb -0.12 -2.00 0.19 0.00 0.01 0.00 0.00 72.50 70.59 1nbx s THR 131 CO 0.02 -0.62 1.60 0.29 -0.69 0.00 0.00 174.62 175.22 1nbx n LYS 132 N -0.26 0.38 -0.15 4.92 4.76 -1.26 -1.03 118.16 125.52 1nbx n LYS 132 Ca -0.09 -0.19 0.00 0.00 -2.87 0.00 0.00 58.31 55.16 1nbx n LYS 132 Cb 0.62 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.31 1nbx n LYS 132 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31