#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pdx s LYS 2 N 0.00 4.30 -0.01 -1.46 1.02 -1.26 -0.65 119.74 121.68 1pdx s LYS 2 Ca 0.00 1.34 0.01 0.00 0.02 0.00 0.00 55.97 57.34 1pdx s LYS 2 Cb 0.00 -2.51 0.01 0.00 -0.52 0.00 0.00 37.83 34.80 1pdx s LYS 2 CO 0.00 0.01 -0.03 0.08 -0.92 0.00 0.00 175.35 174.49 1pdx s VAL 3 N -1.79 0.32 -0.35 3.17 1.01 -1.11 -0.92 120.40 120.72 1pdx s VAL 3 Ca 0.57 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.44 1pdx s VAL 3 Cb -0.17 -0.32 0.14 0.00 0.00 0.00 0.00 36.38 36.03 1pdx s VAL 3 CO 0.22 0.12 0.24 -0.69 0.00 0.00 0.00 175.10 174.99 1pdx s VAL 4 N 0.29 0.06 0.21 2.92 1.01 -0.52 0.23 120.40 124.59 1pdx s VAL 4 Ca -0.03 -1.60 -0.30 0.00 0.00 0.00 0.00 61.98 60.05 1pdx s VAL 4 Cb -0.06 -1.04 -0.09 0.00 0.00 0.00 0.00 36.38 35.19 1pdx s VAL 4 CO -0.00 -0.93 1.38 -0.31 0.00 0.00 0.00 175.10 175.24 1pdx s TYR 5 N 1.12 3.15 0.48 5.22 1.51 -1.22 -1.18 117.35 126.43 1pdx s TYR 5 Ca 0.18 1.08 0.08 0.00 -1.01 0.00 0.00 57.07 57.40 1pdx s TYR 5 Cb -0.21 -3.72 0.04 0.00 -0.11 0.00 0.00 41.96 37.96 1pdx s TYR 5 CO 0.00 -2.33 0.66 0.08 -1.11 0.00 0.00 175.55 172.85 1pdx s VAL 6 N 0.22 2.69 0.00 0.71 1.01 0.88 -0.84 120.40 125.08 1pdx s VAL 6 Ca 0.59 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.59 1pdx s VAL 6 Cb -0.39 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.28 1pdx s VAL 6 CO 0.39 0.00 0.00 -1.54 0.00 0.00 0.00 175.10 173.95 1pdx n SER 7 N -2.02 0.00 -0.07 3.32 3.41 0.45 -1.19 113.62 117.52 1pdx n SER 7 Ca 0.11 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.60 1pdx n SER 7 Cb 0.60 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.40 1pdx n SER 7 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1pdx n HIS 8 N 0.00 0.40 1.07 7.33 -0.00 -1.01 -3.28 115.22 119.74 1pdx n HIS 8 Ca 0.00 0.13 0.12 0.00 -0.00 0.00 0.00 57.72 57.97 1pdx n HIS 8 Cb 0.00 -1.07 0.22 0.00 -0.00 0.00 0.00 29.99 29.14 1pdx n HIS 8 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 1pdx n ASP 9 N -2.97 0.82 0.00 0.41 5.68 -1.26 -4.93 116.55 114.29 1pdx n ASP 9 Ca -0.30 -0.62 0.00 0.00 -0.50 0.00 0.00 54.79 53.37 1pdx n ASP 9 Cb 1.09 0.33 0.00 0.00 -1.14 0.00 0.00 41.12 41.40 1pdx n ASP 9 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pdx n GLY 10 N 1.45 1.46 3.69 6.12 0.00 -1.26 -5.07 105.19 111.58 1pdx n GLY 10 Ca 0.08 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.65 1pdx n GLY 10 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1pdx n THR 11 N -0.52 0.31 -4.67 2.61 -1.04 -1.26 -4.21 114.28 105.50 1pdx n THR 11 Ca 0.00 -0.08 -0.30 0.00 -2.04 0.00 0.00 64.05 61.63 1pdx n THR 11 Cb 0.00 -1.70 -0.09 0.00 -1.82 0.00 0.00 70.33 66.72 1pdx n THR 11 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1pdx s ARG 12 N 0.54 2.06 0.43 -2.82 0.52 -1.26 0.17 118.95 118.59 1pdx s ARG 12 Ca 0.74 -2.25 0.04 0.00 -0.52 0.00 0.00 55.73 53.74 1pdx s ARG 12 Cb -0.60 -1.48 -0.02 0.00 0.52 0.00 0.00 34.95 33.37 1pdx s ARG 12 CO 0.40 -0.24 0.12 -0.98 0.02 0.00 0.00 175.30 174.63 1pdx s ARG 13 N -3.80 1.99 -0.25 3.54 3.03 -0.02 -4.94 118.95 118.50 1pdx s ARG 13 Ca 0.20 -2.23 -0.03 0.00 2.03 0.00 0.00 55.73 55.70 1pdx s ARG 13 Cb 0.05 -0.68 0.14 0.00 -1.03 0.00 0.00 34.95 33.43 1pdx s ARG 13 CO 0.10 -0.50 0.39 -1.83 -1.13 0.00 0.00 175.30 172.34 1pdx s GLU 14 N -3.70 0.37 0.00 3.89 1.03 -1.25 -3.40 118.70 115.64 1pdx s GLU 14 Ca 0.21 0.56 0.00 0.00 0.03 0.00 0.00 54.97 55.77 1pdx s GLU 14 Cb 0.02 -0.40 0.00 0.00 -0.80 0.00 0.00 34.13 32.95 1pdx s GLU 14 CO 0.13 -0.65 0.00 1.28 -1.33 0.00 0.00 175.26 174.70 1pdx n LEU 15 N 5.37 0.00 -2.98 1.83 4.77 0.13 -4.89 117.00 121.23 1pdx n LEU 15 Ca -0.03 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.79 1pdx n LEU 15 Cb 0.50 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1pdx n LEU 15 CO 0.06 0.00 -0.04 -0.67 -1.33 0.00 0.00 177.39 175.41 1pdx n ASP 16 N 0.00 -1.17 -4.67 -1.43 -0.08 -1.26 -2.75 116.55 105.19 1pdx n ASP 16 Ca 0.00 -3.06 -0.40 0.00 -1.51 0.00 0.00 54.79 49.82 1pdx n ASP 16 Cb 0.00 0.55 -0.06 0.00 2.34 0.00 0.00 41.12 43.95 1pdx n ASP 16 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1pdx s VAL 17 N -0.47 5.03 0.80 5.18 1.01 0.18 -4.57 120.40 127.56 1pdx s VAL 17 Ca 0.33 1.22 -0.03 0.00 0.00 0.00 0.00 61.98 63.50 1pdx s VAL 17 Cb 0.22 -3.96 0.16 0.00 0.00 0.00 0.00 36.38 32.81 1pdx s VAL 17 CO -0.15 0.14 1.09 0.00 0.00 0.00 0.00 175.10 176.17 1pdx s ALA 18 N 1.71 3.45 -0.08 5.51 0.00 -1.26 0.25 121.76 131.33 1pdx s ALA 18 Ca 0.30 -1.78 -0.32 0.00 0.00 0.00 0.00 51.96 50.17 1pdx s ALA 18 Cb -0.16 -2.08 -0.10 0.00 0.00 0.00 0.00 23.12 20.78 1pdx s ALA 18 CO 0.11 -1.78 2.00 -0.40 0.00 0.00 0.00 175.76 175.70 1pdx n ASP 19 N -3.08 3.60 0.00 0.00 5.68 0.17 -1.26 116.55 121.65 1pdx n ASP 19 Ca 0.17 0.77 0.00 0.00 -0.50 0.00 0.00 54.79 55.23 1pdx n ASP 19 Cb 0.60 -1.45 0.00 0.00 -1.14 0.00 0.00 41.12 39.13 1pdx n ASP 19 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pdx n GLY 20 N 4.85 2.12 3.84 6.12 0.00 -1.20 -4.98 105.19 115.95 1pdx n GLY 20 Ca 0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 1pdx n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pdx s VAL 21 N -2.13 4.65 -0.21 1.61 1.01 -0.39 -4.87 120.40 120.08 1pdx s VAL 21 Ca 0.00 1.01 -0.14 0.00 0.00 0.00 0.00 61.98 62.85 1pdx s VAL 21 Cb 0.00 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1pdx s VAL 21 CO 0.00 -0.13 0.33 -0.94 0.00 0.00 0.00 175.10 174.36 1pdx s SER 22 N -2.17 6.34 0.58 3.32 1.04 -1.26 -1.13 113.70 120.42 1pdx s SER 22 Ca 0.53 0.40 0.38 0.00 0.48 0.00 0.00 55.95 57.74 1pdx s SER 22 Cb -0.11 -2.19 1.39 0.00 0.10 0.00 0.00 66.02 65.20 1pdx s SER 22 CO 0.18 -0.03 1.51 -0.07 0.98 0.00 0.00 173.24 175.81 1pdx h LEU 23 N 7.58 0.00 -0.09 2.42 3.38 -1.27 2.72 115.31 130.05 1pdx h LEU 23 Ca -0.37 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.61 1pdx h LEU 23 Cb 1.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 1pdx h LEU 23 CO 0.70 0.00 0.03 -0.03 0.09 0.00 0.00 178.44 179.23 1pdx h MET 24 N 0.00 0.07 0.10 1.13 1.85 -1.70 0.11 114.93 116.49 1pdx h MET 24 Ca 0.68 -0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 59.76 1pdx h MET 24 Cb 3.12 -0.02 -0.00 0.00 0.43 0.00 0.00 31.60 35.14 1pdx h MET 24 CO -0.01 0.05 -0.06 0.37 -0.40 0.00 0.00 176.91 176.86 1pdx h GLN 25 N 0.07 -0.14 -0.46 0.39 4.15 0.45 -0.50 115.11 119.08 1pdx h GLN 25 Ca 0.04 0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.55 1pdx h GLN 25 Cb 0.02 0.03 -0.10 0.00 0.21 0.00 0.00 27.48 27.65 1pdx h GLN 25 CO -0.04 -0.10 -0.40 0.00 -1.93 0.00 0.00 178.83 176.37 1pdx h ALA 26 N -1.81 -0.32 -0.69 3.38 0.00 -1.47 0.02 119.26 118.37 1pdx h ALA 26 Ca -0.01 0.09 0.15 0.00 0.00 0.00 0.00 54.91 55.14 1pdx h ALA 26 Cb 0.12 0.85 -0.12 0.00 0.00 0.00 0.00 17.79 18.64 1pdx h ALA 26 CO 0.01 -0.81 -0.02 0.00 0.00 0.00 0.00 179.25 178.44 1pdx h ALA 27 N 0.59 0.67 0.00 0.00 0.00 -0.75 2.10 119.26 121.88 1pdx h ALA 27 Ca 0.16 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1pdx h ALA 27 Cb 0.57 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1pdx h ALA 27 CO -0.60 -0.41 0.00 0.28 0.00 0.00 0.00 179.25 178.52 1pdx n VAL 28 N -5.33 0.14 -0.08 0.00 0.31 -0.14 0.18 118.33 113.40 1pdx n VAL 28 Ca 0.11 0.03 -0.08 0.00 -0.01 0.00 0.00 64.34 64.40 1pdx n VAL 28 Cb 0.41 -0.77 -0.14 0.00 -0.91 0.00 0.00 33.84 32.43 1pdx n VAL 28 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1pdx n SER 29 N -1.07 0.51 -0.58 4.52 2.88 0.69 -4.23 113.62 116.34 1pdx n SER 29 Ca 0.12 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.77 1pdx n SER 29 Cb 0.08 1.02 0.12 0.00 -0.75 0.00 0.00 64.21 64.68 1pdx n SER 29 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1pdx n ASN 30 N -2.64 2.10 -0.08 -3.46 3.02 0.05 -4.93 115.26 109.32 1pdx n ASN 30 Ca -0.28 -1.55 0.00 0.00 -0.03 0.00 0.00 54.58 52.72 1pdx n ASN 30 Cb 1.05 0.26 0.00 0.00 -0.61 0.00 0.00 39.78 40.48 1pdx n ASN 30 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pdx n GLY 31 N 1.37 1.11 0.02 7.41 0.00 -0.26 -5.02 105.19 109.83 1pdx n GLY 31 Ca 0.12 -0.42 -0.00 0.00 0.00 0.00 0.00 46.02 45.71 1pdx n GLY 31 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pdx h ILE 32 N 0.00 0.00 -0.02 -0.61 2.04 0.16 -3.33 117.51 115.75 1pdx h ILE 32 Ca 0.00 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.39 1pdx h ILE 32 Cb 0.51 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 1pdx h ILE 32 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 178.15 176.93 1pdx n TYR 33 N -3.32 0.03 -0.74 1.37 4.01 -1.24 -4.33 117.16 112.94 1pdx n TYR 33 Ca -0.00 -0.01 -0.06 0.00 -0.16 0.00 0.00 57.90 57.67 1pdx n TYR 33 Cb 0.01 -0.01 -0.08 0.00 -0.31 0.00 0.00 39.34 38.94 1pdx n TYR 33 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1pdx n ASP 34 N -0.39 5.21 -0.13 7.72 5.75 -1.25 -4.06 116.55 129.39 1pdx n ASP 34 Ca 0.01 -2.43 -0.27 0.00 -0.01 0.00 0.00 54.79 52.09 1pdx n ASP 34 Cb 0.05 -1.26 -0.10 0.00 -1.03 0.00 0.00 41.12 38.78 1pdx n ASP 34 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 1pdx n ILE 35 N 2.01 1.48 -1.17 2.12 5.41 -1.26 -5.05 119.36 122.91 1pdx n ILE 35 Ca 0.21 -0.41 0.00 0.00 1.00 0.00 0.00 62.75 63.56 1pdx n ILE 35 Cb 0.70 -1.79 0.00 0.00 -0.71 0.00 0.00 39.64 37.84 1pdx n ILE 35 CO 0.00 0.00 0.00 0.55 0.00 0.00 0.00 176.55 177.10 1pdx n VAL 36 N -4.05 0.00 -1.19 1.39 3.14 -1.26 -5.15 118.33 111.22 1pdx n VAL 36 Ca -0.52 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 60.86 1pdx n VAL 36 Cb 0.90 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.68 1pdx n VAL 36 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1pdx n GLY 37 N 5.00 0.57 4.00 7.55 0.00 -1.26 -5.10 105.19 115.95 1pdx n GLY 37 Ca 0.00 -1.85 -0.18 0.00 0.00 0.00 0.00 46.02 43.99 1pdx n GLY 37 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pdx s ASP 38 N -1.00 5.56 -0.33 1.61 1.01 -1.26 -4.99 116.67 117.27 1pdx s ASP 38 Ca 0.00 -0.32 0.10 0.00 0.71 0.00 0.00 52.55 53.03 1pdx s ASP 38 Cb 0.00 -0.70 0.76 0.00 1.01 0.00 0.00 42.92 43.99 1pdx s ASP 38 CO 0.00 -0.86 1.82 0.00 0.21 0.00 0.00 175.17 176.34 1pdx n GLY 40 N -0.11 0.19 1.75 0.00 0.00 -1.26 -3.55 105.19 102.20 1pdx n GLY 40 Ca 0.41 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.36 1pdx n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pdx n GLY 41 N -0.74 0.39 1.45 -0.02 0.00 -1.26 -4.72 105.19 100.28 1pdx n GLY 41 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 1pdx n GLY 41 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pdx n SER 42 N -0.23 3.71 -2.07 1.61 3.41 -1.23 -4.85 113.62 113.97 1pdx n SER 42 Ca -0.07 -2.67 -0.04 0.00 -0.26 0.00 0.00 58.87 55.82 1pdx n SER 42 Cb 0.31 -0.64 -0.01 0.00 -0.26 0.00 0.00 64.21 63.61 1pdx n SER 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pdx n ALA 43 N 0.12 -0.66 -1.13 7.33 0.00 -1.26 -4.66 120.51 120.24 1pdx n ALA 43 Ca 0.22 0.04 0.06 0.00 0.00 0.00 0.00 53.44 53.76 1pdx n ALA 43 Cb 0.93 -0.78 0.08 0.00 0.00 0.00 0.00 19.45 19.68 1pdx n ALA 43 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1pdx n SER 44 N -0.97 1.63 -2.55 0.00 2.88 -1.26 -4.77 113.62 108.58 1pdx n SER 44 Ca -0.05 -2.57 -0.11 0.00 -1.33 0.00 0.00 58.87 54.81 1pdx n SER 44 Cb 0.42 -0.29 -0.03 0.00 -0.75 0.00 0.00 64.21 63.56 1pdx n SER 44 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pdx n ALA 46 N -2.19 2.06 0.32 0.00 0.00 -1.24 -4.76 120.51 114.71 1pdx n ALA 46 Ca -0.07 -1.12 0.16 0.00 0.00 0.00 0.00 53.44 52.41 1pdx n ALA 46 Cb 0.26 -0.50 0.88 0.00 0.00 0.00 0.00 19.45 20.09 1pdx n ALA 46 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1pdx h THR 47 N 6.88 0.00 -0.94 0.00 2.02 -1.78 0.34 112.91 119.43 1pdx h THR 47 Ca -0.03 0.00 -0.48 0.00 0.77 0.00 0.00 66.41 66.66 1pdx h THR 47 Cb 1.44 0.72 -0.29 0.00 -1.74 0.00 0.00 68.15 68.28 1pdx h THR 47 CO 0.01 0.00 0.58 0.00 0.37 0.00 0.00 175.52 176.48 1pdx s HIS 49 N -3.29 1.48 0.11 0.00 5.65 0.12 -3.00 115.29 116.36 1pdx s HIS 49 Ca 0.56 0.91 0.02 0.00 0.25 0.00 0.00 55.06 56.80 1pdx s HIS 49 Cb 0.47 -3.95 -0.01 0.00 -1.18 0.00 0.00 32.58 27.92 1pdx s HIS 49 CO 0.10 -2.79 0.10 1.33 -0.65 0.00 0.00 174.74 172.83 1pdx n VAL 50 N 7.55 0.00 -3.58 0.89 0.24 -0.93 -4.05 118.33 118.44 1pdx n VAL 50 Ca 0.27 -0.80 -0.26 0.00 -2.04 0.00 0.00 64.34 61.50 1pdx n VAL 50 Cb 0.50 0.41 -0.16 0.00 -1.47 0.00 0.00 33.84 33.12 1pdx n VAL 50 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 1pdx s TYR 51 N -2.62 0.17 0.18 6.34 2.02 0.71 -2.21 117.35 121.95 1pdx s TYR 51 Ca 0.13 -0.41 -0.30 0.00 -0.37 0.00 0.00 57.07 56.13 1pdx s TYR 51 Cb 0.01 -0.71 -0.08 0.00 -0.40 0.00 0.00 41.96 40.77 1pdx s TYR 51 CO 0.09 -0.61 1.27 0.08 -1.57 0.00 0.00 175.55 174.81 1pdx s VAL 52 N 2.15 3.38 0.60 0.71 1.01 -1.26 0.34 120.40 127.33 1pdx s VAL 52 Ca 0.04 1.13 -0.18 0.00 0.00 0.00 0.00 61.98 62.98 1pdx s VAL 52 Cb -0.16 -3.72 -0.11 0.00 0.00 0.00 0.00 36.38 32.39 1pdx s VAL 52 CO -0.17 0.17 0.14 -0.46 0.00 0.00 0.00 175.10 174.78 1pdx n ASN 53 N 2.68 -2.59 0.00 3.32 2.04 0.43 -4.56 115.26 116.58 1pdx n ASN 53 Ca 0.06 0.63 0.01 0.00 -0.44 0.00 0.00 54.58 54.84 1pdx n ASN 53 Cb 0.44 -1.01 0.06 0.00 -2.53 0.00 0.00 39.78 36.74 1pdx n ASN 53 CO 0.00 0.00 0.00 -1.84 -0.44 0.00 0.00 177.26 174.98 1pdx n GLU 54 N 0.71 0.01 -0.12 -3.83 0.28 -1.26 -1.34 120.64 115.09 1pdx n GLU 54 Ca 0.09 0.39 0.10 0.00 -0.16 0.00 0.00 57.16 57.58 1pdx n GLU 54 Cb 0.48 -1.50 0.31 0.00 1.43 0.00 0.00 31.44 32.16 1pdx n GLU 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1pdx n ALA 55 N -1.43 2.48 -1.04 -1.84 0.00 -1.26 -4.09 120.51 113.34 1pdx n ALA 55 Ca 0.01 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.78 1pdx n ALA 55 Cb 0.03 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1pdx n ALA 55 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1pdx n PHE 56 N 0.69 0.00 -0.01 0.00 3.01 -0.45 -4.59 117.46 116.11 1pdx n PHE 56 Ca 0.17 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.50 1pdx n PHE 56 Cb 0.41 0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 39.74 1pdx n PHE 56 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 1pdx h THR 57 N 1.93 0.82 -0.02 4.37 1.35 -1.65 -2.97 112.91 116.73 1pdx h THR 57 Ca 0.00 -2.62 0.00 0.00 -0.55 0.00 0.00 66.41 63.24 1pdx h THR 57 Cb 0.73 2.47 0.00 0.00 -1.73 0.00 0.00 68.15 69.62 1pdx h THR 57 CO 0.00 0.63 -0.19 -0.67 -0.25 0.00 0.00 175.52 175.04 1pdx n ASP 58 N -3.20 2.60 -0.14 5.36 2.03 -1.26 -4.32 116.55 117.62 1pdx n ASP 58 Ca -0.21 -1.80 -0.28 0.00 0.52 0.00 0.00 54.79 53.02 1pdx n ASP 58 Cb 1.05 0.19 -0.10 0.00 -0.72 0.00 0.00 41.12 41.54 1pdx n ASP 58 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1pdx n LYS 59 N 0.79 0.60 -1.04 -0.67 5.02 -1.26 -4.94 118.16 116.67 1pdx n LYS 59 Ca 0.12 0.26 -0.25 0.00 -2.02 0.00 0.00 58.31 56.42 1pdx n LYS 59 Cb 0.54 -1.51 0.20 0.00 -0.02 0.00 0.00 35.03 34.25 1pdx n LYS 59 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1pdx n VAL 60 N -4.13 0.00 -2.09 -0.18 0.31 -1.12 -4.89 118.33 106.23 1pdx n VAL 60 Ca -0.52 -0.50 -0.42 0.00 -0.01 0.00 0.00 64.34 62.88 1pdx n VAL 60 Cb 0.89 -1.29 -0.03 0.00 -0.91 0.00 0.00 33.84 32.51 1pdx n VAL 60 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1pdx s PRO 61 N -5.18 4.27 -0.97 5.55 0.04 -1.26 -4.87 135.00 132.58 1pdx s PRO 61 Ca 0.61 2.16 -0.19 0.00 0.04 0.00 0.00 61.00 63.62 1pdx s PRO 61 Cb -0.05 -3.37 -0.10 0.00 0.04 0.00 0.00 34.50 31.02 1pdx s PRO 61 CO 0.46 -0.56 2.03 0.00 0.04 0.00 0.00 177.00 178.97 1pdx n ALA 62 N 4.58 4.04 -0.95 8.56 0.00 -1.26 -4.80 120.51 130.68 1pdx n ALA 62 Ca 0.13 -3.41 -0.33 0.00 0.00 0.00 0.00 53.44 49.83 1pdx n ALA 62 Cb 0.41 -3.58 0.03 0.00 0.00 0.00 0.00 19.45 16.32 1pdx n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pdx n ALA 63 N 6.90 -4.74 -3.00 0.00 0.00 -1.26 -4.98 120.51 113.42 1pdx n ALA 63 Ca 0.50 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pdx n ALA 63 Cb 0.39 -1.08 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1pdx n ALA 63 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1pdx n ASN 64 N 2.97 0.00 -0.57 0.00 0.23 -1.26 -4.90 115.26 111.73 1pdx n ASN 64 Ca 0.00 0.00 0.43 0.00 -0.53 0.00 0.00 54.58 54.48 1pdx n ASN 64 Cb 0.49 0.00 0.67 0.00 -2.08 0.00 0.00 39.78 38.86 1pdx n ASN 64 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1pdx n GLU 65 N 0.00 -0.00 0.00 -3.83 0.28 -1.26 -1.31 120.64 114.51 1pdx n GLU 65 Ca 0.00 0.92 0.00 0.00 -0.16 0.00 0.00 57.16 57.92 1pdx n GLU 65 Cb 0.00 -2.07 0.00 0.00 1.43 0.00 0.00 31.44 30.80 1pdx n GLU 65 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 1pdx n ARG 66 N -3.69 0.00 -0.13 3.44 1.74 -1.26 -2.05 116.66 114.71 1pdx n ARG 66 Ca 0.37 0.50 -0.10 0.00 -0.77 0.00 0.00 57.85 57.84 1pdx n ARG 66 Cb 1.63 -1.34 0.04 0.00 -1.02 0.00 0.00 32.46 31.77 1pdx n ARG 66 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 1pdx h GLU 67 N 0.00 0.90 0.00 5.56 4.81 -1.71 -2.58 114.58 121.56 1pdx h GLU 67 Ca 0.00 -0.37 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 1pdx h GLU 67 Cb 0.00 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.34 1pdx h GLU 67 CO 0.00 1.02 0.62 0.82 -0.73 0.00 0.00 179.01 180.74 1pdx h ILE 68 N 0.78 0.00 0.00 2.32 5.03 -1.16 1.54 117.51 126.01 1pdx h ILE 68 Ca 0.10 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.84 1pdx h ILE 68 Cb 0.77 0.37 0.00 0.00 -3.03 0.00 0.00 36.82 34.93 1pdx h ILE 68 CO 0.06 0.00 0.00 0.61 -0.68 0.00 0.00 178.15 178.14 1pdx n GLY 69 N -1.34 -0.52 0.48 5.37 0.00 -0.87 -1.25 105.19 107.06 1pdx n GLY 69 Ca -0.01 0.00 0.30 0.00 0.00 0.00 0.00 46.02 46.31 1pdx n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pdx h MET 70 N 0.00 0.02 0.00 1.61 -0.00 -1.43 0.43 114.93 115.55 1pdx h MET 70 Ca 0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1pdx h MET 70 Cb 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 1pdx h MET 70 CO 0.00 0.01 -0.00 1.25 -0.00 0.00 0.00 176.91 178.17 1pdx h LEU 71 N 0.02 -0.00 -2.16 -0.10 7.12 0.20 -2.51 115.31 117.88 1pdx h LEU 71 Ca 0.46 -0.70 0.00 0.00 0.13 0.00 0.00 57.88 57.77 1pdx h LEU 71 Cb 1.83 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.96 1pdx h LEU 71 CO -0.02 0.70 0.13 -0.08 -0.13 0.00 0.00 178.44 179.05 1pdx h GLU 72 N -0.71 0.00 0.09 1.25 4.81 0.11 -0.87 114.58 119.26 1pdx h GLU 72 Ca -0.00 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.94 1pdx h GLU 72 Cb 0.70 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 1pdx h GLU 72 CO 0.00 0.00 -1.43 0.00 -0.73 0.00 0.00 179.01 176.85 1pdx n VAL 74 N -3.41 0.00 -0.22 0.00 0.24 -0.33 -4.91 118.33 109.69 1pdx n VAL 74 Ca -0.13 -0.17 0.01 0.00 -2.04 0.00 0.00 64.34 62.02 1pdx n VAL 74 Cb 1.03 -0.13 0.02 0.00 -1.47 0.00 0.00 33.84 33.29 1pdx n VAL 74 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1pdx n THR 75 N -3.43 1.08 -1.46 3.34 -1.04 -1.26 -5.01 114.28 106.50 1pdx n THR 75 Ca -0.01 -1.13 0.00 0.00 -2.04 0.00 0.00 64.05 60.86 1pdx n THR 75 Cb 0.68 0.41 0.00 0.00 -1.82 0.00 0.00 70.33 69.60 1pdx n THR 75 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1pdx n ALA 76 N -0.61 0.00 -0.51 2.41 0.00 -1.25 -4.87 120.51 115.68 1pdx n ALA 76 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.24 1pdx n ALA 76 Cb 0.32 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.73 1pdx n ALA 76 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1pdx n GLU 77 N 0.00 0.84 -1.71 0.00 2.13 -1.26 -4.92 120.64 115.72 1pdx n GLU 77 Ca 0.00 -1.10 -0.39 0.00 0.66 0.00 0.00 57.16 56.32 1pdx n GLU 77 Cb 0.00 -2.39 0.03 0.00 0.27 0.00 0.00 31.44 29.35 1pdx n GLU 77 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1pdx n LEU 78 N 6.02 4.71 -4.76 4.31 7.94 -1.26 -4.97 117.00 128.99 1pdx n LEU 78 Ca 0.30 1.01 -0.32 0.00 -1.11 0.00 0.00 56.01 55.90 1pdx n LEU 78 Cb 0.19 -1.53 -0.07 0.00 0.53 0.00 0.00 43.42 42.54 1pdx n LEU 78 CO 0.79 -0.74 -0.23 -0.54 -1.11 0.00 0.00 177.39 175.56 1pdx s LYS 79 N -2.58 2.17 0.35 1.96 3.01 -1.26 -4.97 119.74 118.42 1pdx s LYS 79 Ca 0.67 -2.33 0.18 0.00 -1.01 0.00 0.00 55.97 53.49 1pdx s LYS 79 Cb -0.45 -1.60 0.46 0.00 -1.01 0.00 0.00 37.83 35.23 1pdx s LYS 79 CO 0.53 -0.34 1.63 -1.00 0.51 0.00 0.00 175.35 176.67 1pdx h PRO 80 N 1.35 0.00 -0.25 -1.68 0.13 -2.01 -3.05 132.00 126.50 1pdx h PRO 80 Ca -0.43 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.65 1pdx h PRO 80 Cb 1.30 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.41 1pdx h PRO 80 CO 0.74 0.40 -0.02 0.27 -0.23 0.00 0.00 178.00 179.16 1pdx n ASN 81 N -3.37 3.32 -4.27 1.44 6.94 -1.26 -5.05 115.26 113.00 1pdx n ASN 81 Ca 0.01 -3.22 -0.36 0.00 -0.02 0.00 0.00 54.58 50.99 1pdx n ASN 81 Cb 0.59 -0.55 0.06 0.00 -2.36 0.00 0.00 39.78 37.52 1pdx n ASN 81 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 1pdx n SER 82 N -0.80 -3.34 -3.67 0.53 2.88 -1.16 -4.11 113.62 103.96 1pdx n SER 82 Ca 0.24 0.41 -0.13 0.00 -1.33 0.00 0.00 58.87 58.06 1pdx n SER 82 Cb 0.89 -1.01 -0.06 0.00 -0.75 0.00 0.00 64.21 63.28 1pdx n SER 82 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1pdx s ARG 83 N -2.44 0.92 -0.41 -1.46 1.81 -0.94 -4.84 118.95 111.60 1pdx s ARG 83 Ca 0.54 -0.39 -0.04 0.00 -1.72 0.00 0.00 55.73 54.11 1pdx s ARG 83 Cb -0.29 0.41 0.11 0.00 -0.45 0.00 0.00 34.95 34.73 1pdx s ARG 83 CO 0.69 -0.32 0.22 -0.51 -0.68 0.00 0.00 175.30 174.71 1pdx s LEU 84 N -2.06 5.26 0.28 2.53 2.01 -1.26 -2.20 118.68 123.24 1pdx s LEU 84 Ca -0.05 -1.95 0.24 0.00 0.01 0.00 0.00 54.13 52.39 1pdx s LEU 84 Cb -0.01 -1.86 0.88 0.00 0.01 0.00 0.00 46.19 45.21 1pdx s LEU 84 CO -0.03 -0.56 0.81 0.00 1.01 0.00 0.00 176.35 177.59 1pdx n GLN 87 N -0.91 4.19 -3.11 0.00 -0.06 0.88 -4.99 117.38 113.38 1pdx n GLN 87 Ca 0.13 -0.04 -0.41 0.00 -2.00 0.00 0.00 57.00 54.68 1pdx n GLN 87 Cb 0.06 -0.40 -0.06 0.00 -4.06 0.00 0.00 30.24 25.78 1pdx n GLN 87 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 1pdx s ILE 88 N -0.61 4.96 -0.15 1.69 -1.09 -1.16 -4.76 121.20 120.08 1pdx s ILE 88 Ca 0.00 1.02 -0.07 0.00 -2.23 0.00 0.00 60.65 59.37 1pdx s ILE 88 Cb 0.00 -3.97 -0.04 0.00 -1.58 0.00 0.00 42.46 36.87 1pdx s ILE 88 CO 0.00 -0.05 0.08 -0.63 -1.23 0.00 0.00 174.94 173.11 1pdx s ILE 89 N 2.56 5.01 -0.22 2.92 1.09 -1.26 -1.20 121.20 130.10 1pdx s ILE 89 Ca 0.26 0.03 -0.26 0.00 -1.10 0.00 0.00 60.65 59.58 1pdx s ILE 89 Cb -0.15 -3.21 -0.00 0.00 -1.06 0.00 0.00 42.46 38.03 1pdx s ILE 89 CO 0.10 0.54 0.88 -0.32 -0.10 0.00 0.00 174.94 176.03 1pdx s MET 90 N -0.31 4.24 0.47 2.79 1.75 -0.28 -4.36 119.30 123.60 1pdx s MET 90 Ca 0.09 1.06 0.03 0.00 -1.25 0.00 0.00 55.69 55.63 1pdx s MET 90 Cb -0.12 -3.62 0.09 0.00 2.84 0.00 0.00 34.83 34.02 1pdx s MET 90 CO 0.01 -0.48 0.65 0.25 -0.65 0.00 0.00 175.02 174.80 1pdx n THR 91 N 5.11 0.00 1.10 10.11 -2.24 -1.26 0.41 114.28 127.51 1pdx n THR 91 Ca 0.07 -1.24 0.12 0.00 -2.27 0.00 0.00 64.05 60.74 1pdx n THR 91 Cb 0.48 -0.86 0.30 0.00 -2.10 0.00 0.00 70.33 68.14 1pdx n THR 91 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1pdx n PRO 92 N -2.13 0.33 -0.03 -0.78 -0.04 -1.26 -3.37 135.00 127.71 1pdx n PRO 92 Ca 0.12 -0.19 -0.09 0.00 -0.04 0.00 0.00 63.50 63.29 1pdx n PRO 92 Cb 0.42 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.24 1pdx n PRO 92 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1pdx n GLU 93 N -1.17 0.65 -0.61 0.54 0.28 -1.26 -4.01 120.64 115.06 1pdx n GLU 93 Ca 0.08 0.24 -0.11 0.00 -0.16 0.00 0.00 57.16 57.21 1pdx n GLU 93 Cb 0.34 -1.74 0.10 0.00 1.43 0.00 0.00 31.44 31.57 1pdx n GLU 93 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1pdx n LEU 94 N -3.02 4.80 -4.57 -1.84 4.77 -1.24 -4.89 117.00 111.01 1pdx n LEU 94 Ca -0.20 -2.51 -0.39 0.00 -0.03 0.00 0.00 56.01 52.87 1pdx n LEU 94 Cb 1.07 -0.67 -0.03 0.00 -2.33 0.00 0.00 43.42 41.46 1pdx n LEU 94 CO 0.44 0.76 1.84 1.51 -1.33 0.00 0.00 177.39 180.61 1pdx s ASP 95 N -0.18 5.04 0.00 -1.43 -4.77 -1.26 -2.41 116.67 111.66 1pdx s ASP 95 Ca 0.29 1.20 0.00 0.00 -3.30 0.00 0.00 52.55 50.73 1pdx s ASP 95 Cb 0.24 -2.51 0.00 0.00 -1.09 0.00 0.00 42.92 39.56 1pdx s ASP 95 CO 0.06 -2.40 0.00 0.61 0.70 0.00 0.00 175.17 174.14 1pdx n GLY 96 N 5.81 1.56 3.68 2.12 0.00 -0.10 -4.43 105.19 113.83 1pdx n GLY 96 Ca 0.30 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.02 1pdx n GLY 96 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1pdx s ILE 97 N -1.56 2.37 -0.12 -0.61 2.07 -0.51 -4.84 121.20 118.00 1pdx s ILE 97 Ca 0.00 0.12 -0.02 0.00 -1.41 0.00 0.00 60.65 59.34 1pdx s ILE 97 Cb 0.00 -2.27 0.04 0.00 0.13 0.00 0.00 42.46 40.35 1pdx s ILE 97 CO 0.00 -0.16 0.01 -0.69 -1.91 0.00 0.00 174.94 172.19 1pdx s VAL 98 N -2.70 0.50 0.19 4.00 1.01 -1.26 -1.43 120.40 120.69 1pdx s VAL 98 Ca 0.65 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.50 1pdx s VAL 98 Cb -0.21 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 1pdx s VAL 98 CO 0.58 0.10 0.33 -0.69 0.00 0.00 0.00 175.10 175.43 1pdx s VAL 99 N 1.90 5.28 -0.23 2.92 1.01 -0.33 0.16 120.40 131.12 1pdx s VAL 99 Ca 0.03 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.33 1pdx s VAL 99 Cb -0.14 -3.77 0.05 0.00 0.00 0.00 0.00 36.38 32.52 1pdx s VAL 99 CO -0.07 -0.18 -0.09 -1.81 0.00 0.00 0.00 175.10 172.95 1pdx s ASP 100 N -3.43 3.93 -0.15 3.32 1.01 1.03 0.30 116.67 122.68 1pdx s ASP 100 Ca 0.35 -1.16 -0.18 0.00 0.71 0.00 0.00 52.55 52.27 1pdx s ASP 100 Cb -0.10 -1.34 -0.04 0.00 1.01 0.00 0.00 42.92 42.44 1pdx s ASP 100 CO 0.29 -0.19 0.49 -0.69 0.21 0.00 0.00 175.17 175.28 1pdx s VAL 101 N 1.28 5.16 1.01 -1.27 1.01 -0.33 0.25 120.40 127.52 1pdx s VAL 101 Ca -0.05 0.95 -0.17 0.00 0.00 0.00 0.00 61.98 62.70 1pdx s VAL 101 Cb -0.18 -3.82 0.24 0.00 0.00 0.00 0.00 36.38 32.61 1pdx s VAL 101 CO -0.07 0.27 1.32 -0.81 0.00 0.00 0.00 175.10 175.82 1pdx n PRO 102 N 4.07 -1.49 0.05 2.72 -0.04 -1.26 -2.40 135.00 136.65 1pdx n PRO 102 Ca -0.06 -2.05 0.12 0.00 -0.04 0.00 0.00 63.50 61.46 1pdx n PRO 102 Cb 0.51 -1.41 0.10 0.00 -0.04 0.00 0.00 33.50 32.66 1pdx n PRO 102 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1pdx n ASP 103 N -3.96 0.66 -4.12 3.54 2.03 -1.26 -4.44 116.55 108.99 1pdx n ASP 103 Ca 0.17 -0.02 -0.37 0.00 0.52 0.00 0.00 54.79 55.09 1pdx n ASP 103 Cb 0.58 0.46 -0.07 0.00 -0.72 0.00 0.00 41.12 41.38 1pdx n ASP 103 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1pdx s ARG 104 N -3.19 3.17 -0.81 -0.67 3.00 -1.26 -4.93 118.95 114.26 1pdx s ARG 104 Ca 0.05 -3.11 -0.02 0.00 0.00 0.00 0.00 55.73 52.65 1pdx s ARG 104 Cb 0.14 -3.94 0.31 0.00 0.00 0.00 0.00 34.95 31.45 1pdx s ARG 104 CO 0.76 -1.25 2.13 0.94 0.00 0.00 0.00 175.30 177.88 1pdx n GLN 105 N 2.62 2.84 0.00 3.54 7.27 -1.26 -3.94 117.38 128.44 1pdx n GLN 105 Ca 0.19 -3.41 0.10 0.00 0.07 0.00 0.00 57.00 53.95 1pdx n GLN 105 Cb 0.38 -2.26 0.60 0.00 2.41 0.00 0.00 30.24 31.36 1pdx n GLN 105 CO 0.00 0.00 0.00 -2.67 0.07 0.00 0.00 177.06 174.46