#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 4.06 -0.02 -1.46 3.01 -1.26 -1.86 119.74 122.21 1pdx s LYS 2 Ca 0.00 1.93 0.01 0.00 -1.01 0.00 0.00 55.97 56.91 1pdx s LYS 2 Cb 0.00 -2.73 0.01 0.00 -1.01 0.00 0.00 37.83 34.10 1pdx s LYS 2 CO 0.00 -0.34 -0.05 0.08 0.51 0.00 0.00 175.35 175.55 1pdx s VAL 3 N -1.35 0.45 -0.37 3.17 1.01 -0.51 -0.71 120.40 122.09 1pdx s VAL 3 Ca 0.56 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 62.39 1pdx s VAL 3 Cb -0.33 -0.42 0.15 0.00 0.00 0.00 0.00 36.38 35.78 1pdx s VAL 3 CO 0.42 0.16 0.28 -0.69 0.00 0.00 0.00 175.10 175.27 1pdx s VAL 4 N 0.30 0.01 0.25 2.92 1.01 -0.16 0.27 120.40 124.99 1pdx s VAL 4 Ca -0.03 -1.62 -0.30 0.00 0.00 0.00 0.00 61.98 60.03 1pdx s VAL 4 Cb -0.07 -0.98 -0.10 0.00 0.00 0.00 0.00 36.38 35.23 1pdx s VAL 4 CO -0.00 -0.89 1.35 -0.31 0.00 0.00 0.00 175.10 175.25 1pdx s TYR 5 N 1.03 3.13 0.36 5.22 1.51 -1.21 -1.96 117.35 125.43 1pdx s TYR 5 Ca 0.20 1.20 0.07 0.00 -1.01 0.00 0.00 57.07 57.53 1pdx s TYR 5 Cb -0.17 -3.69 -0.00 0.00 -0.11 0.00 0.00 41.96 37.98 1pdx s TYR 5 CO -0.03 -2.14 0.51 0.08 -1.11 0.00 0.00 175.55 172.86 1pdx s VAL 6 N -0.24 3.75 0.00 0.71 1.01 0.80 -0.54 120.40 125.89 1pdx s VAL 6 Ca 0.56 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.55 1pdx s VAL 6 Cb -0.39 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 32.70 1pdx s VAL 6 CO 0.43 -0.11 0.00 -1.54 0.00 0.00 0.00 175.10 173.88 1pdx n SER 7 N -1.72 0.03 -0.02 3.32 3.41 0.79 -1.14 113.62 118.30 1pdx n SER 7 Ca 0.02 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.55 1pdx n SER 7 Cb 0.58 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.39 1pdx n SER 7 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 1pdx h HIS 8 N 0.00 0.01 -0.01 7.33 -0.00 -1.72 -3.14 115.15 117.62 1pdx h HIS 8 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 1pdx h HIS 8 Cb 0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 1pdx h HIS 8 CO 0.00 1.01 -0.36 -0.40 -0.00 0.00 0.00 177.93 178.18 1pdx n ASP 9 N -3.07 1.04 0.00 2.45 5.75 -1.26 -4.93 116.55 116.53 1pdx n ASP 9 Ca -0.16 -0.84 0.00 0.00 -0.01 0.00 0.00 54.79 53.77 1pdx n ASP 9 Cb 1.05 0.24 0.00 0.00 -1.03 0.00 0.00 41.12 41.37 1pdx n ASP 9 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pdx n GLY 10 N 1.39 1.87 3.64 6.12 0.00 -1.24 -5.06 105.19 111.91 1pdx n GLY 10 Ca 0.10 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.29 0.04 -4.24 2.61 -1.04 -1.26 -3.87 114.28 106.24 1pdx n THR 11 Ca 0.00 -0.01 -0.10 0.00 -2.04 0.00 0.00 64.05 61.90 1pdx n THR 11 Cb 0.00 -1.30 -0.02 0.00 -1.82 0.00 0.00 70.33 67.18 1pdx n THR 11 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1pdx n ARG 12 N 3.35 1.50 -3.85 -2.82 1.74 -1.26 0.28 116.66 115.60 1pdx n ARG 12 Ca 0.18 -1.20 -0.18 0.00 -0.77 0.00 0.00 57.85 55.88 1pdx n ARG 12 Cb 0.25 0.36 -0.06 0.00 -1.02 0.00 0.00 32.46 31.99 1pdx n ARG 12 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1pdx n ARG 13 N -0.40 0.50 -3.34 5.56 0.00 0.30 -4.94 116.66 114.34 1pdx n ARG 13 Ca -0.06 -2.70 -0.08 0.00 -0.00 0.00 0.00 57.85 55.00 1pdx n ARG 13 Cb 0.21 1.81 -0.07 0.00 -0.00 0.00 0.00 32.46 34.40 1pdx n ARG 13 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1pdx s GLU 14 N -3.16 0.36 0.22 2.89 2.02 -1.25 -3.31 118.70 116.48 1pdx s GLU 14 Ca 0.23 0.54 0.03 0.00 0.02 0.00 0.00 54.97 55.79 1pdx s GLU 14 Cb 0.01 -0.41 0.03 0.00 0.10 0.00 0.00 34.13 33.86 1pdx s GLU 14 CO 0.17 -0.66 0.22 1.28 0.02 0.00 0.00 175.26 176.28 1pdx n LEU 15 N 5.37 0.00 -3.23 1.80 4.77 0.14 -4.90 117.00 120.95 1pdx n LEU 15 Ca -0.03 -1.10 -0.24 0.00 -0.03 0.00 0.00 56.01 54.60 1pdx n LEU 15 Cb 0.50 -0.07 -0.07 0.00 -2.33 0.00 0.00 43.42 41.46 1pdx n LEU 15 CO 0.05 -0.45 -0.21 -0.90 -1.33 0.00 0.00 177.39 174.55 1pdx n ASP 16 N -2.20 1.04 -4.69 -1.43 5.68 -1.26 -1.42 116.55 112.27 1pdx n ASP 16 Ca 0.02 -2.89 -0.40 0.00 -0.50 0.00 0.00 54.79 51.02 1pdx n ASP 16 Cb 0.25 -0.64 -0.05 0.00 -1.14 0.00 0.00 41.12 39.53 1pdx n ASP 16 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1pdx s VAL 17 N -1.63 5.02 0.79 2.12 1.01 -0.78 -4.61 120.40 122.32 1pdx s VAL 17 Ca 0.37 1.33 -0.04 0.00 0.00 0.00 0.00 61.98 63.63 1pdx s VAL 17 Cb 0.18 -4.00 0.15 0.00 0.00 0.00 0.00 36.38 32.72 1pdx s VAL 17 CO -0.09 0.16 1.08 0.00 0.00 0.00 0.00 175.10 176.26 1pdx s ALA 18 N 1.45 3.37 0.13 5.51 0.00 -1.26 0.25 121.76 131.21 1pdx s ALA 18 Ca 0.33 -1.66 -0.35 0.00 0.00 0.00 0.00 51.96 50.28 1pdx s ALA 18 Cb -0.16 -2.16 -0.15 0.00 0.00 0.00 0.00 23.12 20.64 1pdx s ALA 18 CO 0.13 -1.73 1.48 -0.40 0.00 0.00 0.00 175.76 175.24 1pdx n ASP 19 N -3.07 2.46 0.00 0.00 5.75 0.13 -1.15 116.55 120.67 1pdx n ASP 19 Ca 0.16 1.10 0.00 0.00 -0.01 0.00 0.00 54.79 56.03 1pdx n ASP 19 Cb 0.60 -1.32 0.00 0.00 -1.03 0.00 0.00 41.12 39.37 1pdx n ASP 19 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pdx n GLY 20 N 3.03 3.32 3.84 6.12 0.00 -1.19 -4.95 105.19 115.36 1pdx n GLY 20 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.44 4.58 -0.24 1.61 1.01 -0.30 -4.85 120.40 119.78 1pdx s VAL 21 Ca 0.00 1.13 -0.14 0.00 0.00 0.00 0.00 61.98 62.97 1pdx s VAL 21 Cb 0.00 -3.62 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 1pdx s VAL 21 CO 0.00 -0.21 0.34 -0.94 0.00 0.00 0.00 175.10 174.29 1pdx s SER 22 N -2.22 6.29 0.61 3.32 1.04 -1.26 -0.78 113.70 120.69 1pdx s SER 22 Ca 0.56 0.34 0.26 0.00 0.48 0.00 0.00 55.95 57.59 1pdx s SER 22 Cb -0.10 -2.20 1.16 0.00 0.10 0.00 0.00 66.02 64.99 1pdx s SER 22 CO 0.16 -0.10 1.59 -0.07 0.98 0.00 0.00 173.24 175.80 1pdx h LEU 23 N 8.05 0.00 -0.23 2.42 3.38 -1.37 3.78 115.31 131.33 1pdx h LEU 23 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1pdx h LEU 23 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1pdx h LEU 23 CO 0.67 0.00 0.00 0.80 0.09 0.00 0.00 178.44 180.00 1pdx n MET 24 N -3.36 0.07 -0.06 1.13 0.00 -1.01 -0.92 117.12 112.97 1pdx n MET 24 Ca 0.14 0.30 -0.05 0.00 -0.00 0.00 0.00 57.70 58.08 1pdx n MET 24 Cb 1.05 -1.63 -0.02 0.00 0.00 0.00 0.00 33.22 32.62 1pdx n MET 24 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 175.97 176.91 1pdx n GLN 25 N -1.75 0.34 -0.08 2.12 7.27 1.25 -3.67 117.38 122.85 1pdx n GLN 25 Ca 0.03 0.20 -0.13 0.00 0.07 0.00 0.00 57.00 57.17 1pdx n GLN 25 Cb 0.20 -1.17 -0.08 0.00 2.41 0.00 0.00 30.24 31.59 1pdx n GLN 25 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1pdx h ALA 26 N -1.34 -0.72 -0.49 1.69 0.00 -1.46 0.13 119.26 117.07 1pdx h ALA 26 Ca 0.00 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.00 1pdx h ALA 26 Cb 0.59 1.01 -0.10 0.00 0.00 0.00 0.00 17.79 19.28 1pdx h ALA 26 CO 0.00 -1.01 -0.27 0.00 0.00 0.00 0.00 179.25 177.96 1pdx h ALA 27 N 0.00 0.02 0.00 0.00 0.00 -1.27 1.79 119.26 119.80 1pdx h ALA 27 Ca 0.08 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1pdx h ALA 27 Cb 0.63 0.64 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1pdx h ALA 27 CO -0.52 -0.63 0.00 0.28 0.00 0.00 0.00 179.25 178.38 1pdx n VAL 28 N -5.42 0.49 -0.05 0.00 0.31 -0.57 0.78 118.33 113.87 1pdx n VAL 28 Ca 0.03 0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.49 1pdx n VAL 28 Cb 0.33 -0.97 -0.14 0.00 -0.91 0.00 0.00 33.84 32.15 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 -1.18 0.79 -0.99 4.52 2.88 0.58 -4.17 113.62 116.04 1pdx n SER 29 Ca 0.05 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.71 1pdx n SER 29 Cb 0.06 1.38 0.25 0.00 -0.75 0.00 0.00 64.21 65.15 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 -2.39 2.97 0.00 -3.46 3.02 0.58 -4.89 115.26 111.11 1pdx n ASN 30 Ca -0.16 -1.92 0.00 0.00 -0.03 0.00 0.00 54.58 52.47 1pdx n ASN 30 Cb 0.77 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.73 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 1.40 0.63 0.19 7.41 0.00 -0.77 -4.95 105.19 109.10 1pdx n GLY 31 Ca 0.18 -0.09 -0.09 0.00 0.00 0.00 0.00 46.02 46.03 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 0.35 -0.03 -0.61 2.04 0.07 -3.20 117.51 116.12 1pdx h ILE 32 Ca 0.00 -0.84 -0.02 0.00 1.00 0.00 0.00 64.86 65.01 1pdx h ILE 32 Cb 0.00 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1pdx h ILE 32 CO 0.00 0.09 0.02 -1.22 0.00 0.00 0.00 178.15 177.04 1pdx n TYR 33 N -5.03 0.09 0.12 1.37 4.02 -1.01 -4.30 117.16 112.42 1pdx n TYR 33 Ca -0.07 -0.58 -0.09 0.00 -0.01 0.00 0.00 57.90 57.15 1pdx n TYR 33 Cb 0.22 -0.29 0.08 0.00 -0.02 0.00 0.00 39.34 39.33 1pdx n TYR 33 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1pdx n ASP 34 N 0.54 3.27 -0.09 7.72 5.75 -1.21 -4.06 116.55 128.46 1pdx n ASP 34 Ca 0.02 -2.62 -0.18 0.00 -0.01 0.00 0.00 54.79 52.00 1pdx n ASP 34 Cb 0.53 -0.63 -0.07 0.00 -1.03 0.00 0.00 41.12 39.92 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 -0.12 0.99 -4.70 2.12 5.41 -1.26 -5.06 119.36 116.74 1pdx n ILE 35 Ca 0.23 -0.28 -0.31 0.00 1.00 0.00 0.00 62.75 63.39 1pdx n ILE 35 Cb 0.94 -1.61 -0.09 0.00 -0.71 0.00 0.00 39.64 38.17 1pdx n ILE 35 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 1pdx s VAL 36 N -2.33 1.52 -0.10 1.39 -7.23 -1.26 -5.14 120.40 107.25 1pdx s VAL 36 Ca -0.25 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 57.88 1pdx s VAL 36 Cb 0.09 -2.52 -0.04 0.00 0.56 0.00 0.00 36.38 34.47 1pdx s VAL 36 CO 0.33 0.00 0.05 -0.83 -0.31 0.00 0.00 175.10 174.34 1pdx s GLY 37 N -3.80 1.95 0.54 2.32 0.00 -1.26 -5.03 107.32 102.03 1pdx s GLY 37 Ca 0.18 -0.75 0.08 0.00 0.00 0.00 0.00 44.72 44.23 1pdx s GLY 37 CO 0.09 -0.46 0.59 0.99 0.00 0.00 0.00 173.10 174.31 1pdx s ASP 38 N -0.82 4.94 -0.14 1.64 1.01 -1.26 -4.74 116.67 117.30 1pdx s ASP 38 Ca 0.13 -0.98 0.04 0.00 0.71 0.00 0.00 52.55 52.45 1pdx s ASP 38 Cb -0.12 0.22 0.30 0.00 1.01 0.00 0.00 42.92 44.33 1pdx s ASP 38 CO 0.03 -1.16 1.19 0.00 0.21 0.00 0.00 175.17 175.44 1pdx n GLY 40 N 0.04 0.48 1.01 0.00 0.00 -1.26 0.15 105.19 105.61 1pdx n GLY 40 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.49 0.75 0.09 -0.02 0.00 -1.26 -4.92 105.19 99.35 1pdx n GLY 41 Ca -0.14 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.92 1pdx n GLY 41 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1pdx n SER 42 N 0.00 0.27 -4.02 1.61 2.88 0.39 -4.89 113.62 109.86 1pdx n SER 42 Ca 0.00 -1.83 -0.33 0.00 -1.33 0.00 0.00 58.87 55.38 1pdx n SER 42 Cb 0.00 -0.03 -0.02 0.00 -0.75 0.00 0.00 64.21 63.41 1pdx n SER 42 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1pdx n ALA 43 N -0.43 -2.25 -2.13 -1.46 0.00 -1.26 -4.84 120.51 108.13 1pdx n ALA 43 Ca 0.06 -0.37 0.01 0.00 0.00 0.00 0.00 53.44 53.14 1pdx n ALA 43 Cb 0.06 -2.07 0.01 0.00 0.00 0.00 0.00 19.45 17.45 1pdx n ALA 43 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1pdx n SER 44 N -2.72 0.26 -2.67 0.00 7.64 -1.26 -5.00 113.62 109.87 1pdx n SER 44 Ca -0.23 -2.00 -0.14 0.00 1.01 0.00 0.00 58.87 57.51 1pdx n SER 44 Cb 0.64 -0.23 -0.05 0.00 -1.01 0.00 0.00 64.21 63.57 1pdx n SER 44 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pdx n ALA 46 N -1.69 0.97 0.58 0.00 0.00 -1.24 -4.73 120.51 114.39 1pdx n ALA 46 Ca -0.09 -0.30 0.13 0.00 0.00 0.00 0.00 53.44 53.18 1pdx n ALA 46 Cb 0.38 0.00 0.41 0.00 0.00 0.00 0.00 19.45 20.24 1pdx n ALA 46 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1pdx n THR 47 N 0.00 0.65 0.09 0.00 5.66 -0.50 -3.18 114.28 117.00 1pdx n THR 47 Ca 0.00 -0.21 -0.06 0.00 -3.05 0.00 0.00 64.05 60.73 1pdx n THR 47 Cb 0.49 -0.68 0.11 0.00 -1.55 0.00 0.00 70.33 68.70 1pdx n THR 47 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1pdx s HIS 49 N -1.55 2.63 0.03 0.00 5.65 -1.19 -3.22 115.29 117.64 1pdx s HIS 49 Ca 0.24 0.67 -0.00 0.00 0.25 0.00 0.00 55.06 56.22 1pdx s HIS 49 Cb 0.20 -3.72 0.00 0.00 -1.18 0.00 0.00 32.58 27.88 1pdx s HIS 49 CO 0.06 -2.75 0.05 1.33 -0.65 0.00 0.00 174.74 172.78 1pdx n VAL 50 N 4.95 0.00 -3.58 0.89 0.24 -0.53 -4.33 118.33 115.96 1pdx n VAL 50 Ca 0.14 -0.16 -0.26 0.00 -2.04 0.00 0.00 64.34 62.02 1pdx n VAL 50 Cb 0.43 0.11 -0.16 0.00 -1.47 0.00 0.00 33.84 32.75 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 -5.28 0.18 0.04 6.34 2.02 0.76 -1.48 117.35 119.93 1pdx s TYR 51 Ca 0.03 -0.40 -0.29 0.00 -0.37 0.00 0.00 57.07 56.04 1pdx s TYR 51 Cb -0.00 -0.71 -0.04 0.00 -0.40 0.00 0.00 41.96 40.80 1pdx s TYR 51 CO 0.02 -0.59 0.93 0.08 -1.57 0.00 0.00 175.55 174.42 1pdx s VAL 52 N 2.15 4.75 0.98 0.71 1.01 -1.25 0.36 120.40 129.10 1pdx s VAL 52 Ca 0.04 1.98 -0.16 0.00 0.00 0.00 0.00 61.98 63.84 1pdx s VAL 52 Cb -0.16 -4.28 -0.11 0.00 0.00 0.00 0.00 36.38 31.83 1pdx s VAL 52 CO -0.16 0.24 -0.51 -0.46 0.00 0.00 0.00 175.10 174.21 1pdx n ASN 53 N 3.42 -5.09 0.00 3.32 2.04 0.20 -4.61 115.26 114.54 1pdx n ASN 53 Ca 0.03 0.23 0.10 0.00 -0.44 0.00 0.00 54.58 54.50 1pdx n ASN 53 Cb 0.50 -0.87 0.57 0.00 -2.53 0.00 0.00 39.78 37.46 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 1.52 0.60 -0.19 -3.83 0.28 -1.26 -2.47 120.64 115.29 1pdx n GLU 54 Ca 0.00 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.12 1pdx n GLU 54 Cb 0.55 -1.50 0.23 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 -1.00 2.43 -1.03 -1.84 0.00 -1.26 -4.25 120.51 113.55 1pdx n ALA 55 Ca 0.14 -0.98 0.00 0.00 0.00 0.00 0.00 53.44 52.61 1pdx n ALA 55 Cb 0.07 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 1.43 0.00 0.01 0.00 3.01 -1.03 -4.57 117.46 116.31 1pdx n PHE 56 Ca 0.19 0.00 -0.19 0.00 1.01 0.00 0.00 57.45 58.46 1pdx n PHE 56 Cb 0.59 0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 39.92 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 2.02 0.70 -0.02 4.37 1.35 -1.71 -3.09 112.91 116.53 1pdx h THR 57 Ca 0.00 -2.42 0.00 0.00 -0.55 0.00 0.00 66.41 63.44 1pdx h THR 57 Cb 0.76 2.52 0.00 0.00 -1.73 0.00 0.00 68.15 69.70 1pdx h THR 57 CO 0.00 0.83 -0.21 -0.67 -0.25 0.00 0.00 175.52 175.23 1pdx n ASP 58 N -3.42 2.36 -0.13 5.36 -0.08 -1.26 -3.61 116.55 115.77 1pdx n ASP 58 Ca -0.29 -1.69 -0.26 0.00 -1.51 0.00 0.00 54.79 51.04 1pdx n ASP 58 Cb 1.05 0.20 -0.11 0.00 2.34 0.00 0.00 41.12 44.60 1pdx n ASP 58 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1pdx n LYS 59 N 0.57 0.61 -1.78 -0.67 5.02 -1.26 -4.91 118.16 115.74 1pdx n LYS 59 Ca 0.12 0.26 -0.30 0.00 -2.02 0.00 0.00 58.31 56.37 1pdx n LYS 59 Cb 0.51 -1.52 0.18 0.00 -0.02 0.00 0.00 35.03 34.18 1pdx n LYS 59 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1pdx s VAL 60 N -2.50 1.94 -0.77 -0.18 1.01 -1.17 -4.89 120.40 113.84 1pdx s VAL 60 Ca -0.37 0.00 -0.26 0.00 0.00 0.00 0.00 61.98 61.35 1pdx s VAL 60 Cb 0.13 -2.91 -0.00 0.00 0.00 0.00 0.00 36.38 33.59 1pdx s VAL 60 CO 0.53 0.00 1.68 -2.16 0.00 0.00 0.00 175.10 175.14 1pdx s PRO 61 N -5.76 2.89 -0.49 2.72 0.04 -1.26 -4.83 135.00 128.32 1pdx s PRO 61 Ca 0.72 -0.06 -0.20 0.00 0.04 0.00 0.00 61.00 61.50 1pdx s PRO 61 Cb -0.06 -4.63 -0.19 0.00 0.04 0.00 0.00 34.50 29.66 1pdx s PRO 61 CO 0.53 -2.66 1.76 0.00 0.04 0.00 0.00 177.00 176.67 1pdx n ALA 62 N 11.62 2.57 -1.01 8.56 0.00 -1.24 -4.61 120.51 136.40 1pdx n ALA 62 Ca 0.22 -2.60 -0.33 0.00 0.00 0.00 0.00 53.44 50.74 1pdx n ALA 62 Cb 0.50 -3.46 0.02 0.00 0.00 0.00 0.00 19.45 16.51 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 7.17 -3.50 -1.41 0.00 0.00 -1.26 -4.97 120.51 116.55 1pdx n ALA 63 Ca 0.43 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1pdx n ALA 63 Cb 0.33 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.63 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 2.40 0.00 -0.18 0.00 2.04 -1.26 -4.48 115.26 113.77 1pdx n ASN 64 Ca 0.04 0.00 0.16 0.00 -0.44 0.00 0.00 54.58 54.35 1pdx n ASN 64 Cb 0.43 0.00 0.29 0.00 -2.53 0.00 0.00 39.78 37.96 1pdx n ASN 64 CO 0.00 0.00 0.00 -1.84 -0.44 0.00 0.00 177.26 174.98 1pdx n GLU 65 N 0.00 -0.02 0.00 -3.83 0.28 -1.26 -0.65 120.64 115.16 1pdx n GLU 65 Ca 0.00 0.59 0.00 0.00 -0.16 0.00 0.00 57.16 57.59 1pdx n GLU 65 Cb 0.00 -1.12 0.00 0.00 1.43 0.00 0.00 31.44 31.75 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 -3.78 0.00 0.08 3.44 5.12 -1.26 0.26 116.66 120.52 1pdx n ARG 66 Ca 0.18 0.64 0.07 0.00 -1.93 0.00 0.00 57.85 56.81 1pdx n ARG 66 Cb 0.65 -1.48 0.52 0.00 -1.16 0.00 0.00 32.46 30.99 1pdx n ARG 66 CO 0.00 0.00 0.00 1.49 -1.93 0.00 0.00 177.63 177.19 1pdx h GLU 67 N 0.00 0.31 0.00 5.56 4.81 -1.11 0.42 114.58 124.57 1pdx h GLU 67 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1pdx h GLU 67 Cb 0.00 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.31 1pdx h GLU 67 CO 0.00 0.21 0.00 -0.89 -0.73 0.00 0.00 179.01 177.60 1pdx n ILE 68 N -4.49 0.31 0.00 2.32 -0.00 -0.46 -2.92 119.36 114.11 1pdx n ILE 68 Ca 0.02 0.02 0.00 0.00 -0.00 0.00 0.00 62.75 62.79 1pdx n ILE 68 Cb 0.14 -0.64 0.00 0.00 -0.00 0.00 0.00 39.64 39.14 1pdx n ILE 68 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1pdx n GLY 69 N 1.12 0.67 0.64 7.39 0.00 0.74 -1.33 105.19 114.41 1pdx n GLY 69 Ca 0.06 0.00 0.46 0.00 0.00 0.00 0.00 46.02 46.54 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 0.00 0.02 1.61 -0.00 -1.73 1.47 114.93 116.31 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 0.00 -0.01 1.25 -0.00 0.00 0.00 176.91 178.15 1pdx h LEU 71 N 0.00 -0.02 -2.56 -0.10 7.12 -1.70 -1.77 115.31 116.28 1pdx h LEU 71 Ca 0.79 -0.69 0.01 0.00 0.13 0.00 0.00 57.88 58.13 1pdx h LEU 71 Cb 3.18 0.01 -0.00 0.00 -0.53 0.00 0.00 40.66 43.31 1pdx h LEU 71 CO -0.02 0.70 0.09 -0.08 -0.13 0.00 0.00 178.44 179.00 1pdx h GLU 72 N -0.77 0.00 0.23 1.25 4.57 0.30 -1.68 114.58 118.48 1pdx h GLU 72 Ca -0.00 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 57.86 1pdx h GLU 72 Cb 0.71 0.00 0.03 0.00 -0.16 0.00 0.00 28.75 29.33 1pdx h GLU 72 CO 0.00 0.00 -1.43 0.00 -1.18 0.00 0.00 179.01 176.41 1pdx n VAL 74 N -3.77 0.00 -1.73 0.00 0.24 -0.63 -4.88 118.33 107.56 1pdx n VAL 74 Ca -0.18 -0.37 -0.01 0.00 -2.04 0.00 0.00 64.34 61.74 1pdx n VAL 74 Cb 1.06 -0.00 0.16 0.00 -1.47 0.00 0.00 33.84 33.58 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 -2.76 2.22 -3.49 3.34 -1.04 -1.25 -5.02 114.28 106.29 1pdx n THR 75 Ca -0.02 -3.42 0.00 0.00 -2.04 0.00 0.00 64.05 58.57 1pdx n THR 75 Cb 0.61 -0.41 0.00 0.00 -1.82 0.00 0.00 70.33 68.72 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 -0.98 0.00 -0.26 2.41 0.00 -1.22 -4.76 120.51 115.70 1pdx n ALA 76 Ca 0.24 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.59 1pdx n ALA 76 Cb 0.77 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.19 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 -0.17 0.00 -1.21 0.00 2.13 -1.26 -4.88 120.64 115.25 1pdx n GLU 77 Ca 0.00 -0.49 -0.34 0.00 0.66 0.00 0.00 57.16 56.99 1pdx n GLU 77 Cb 0.00 -1.87 0.11 0.00 0.27 0.00 0.00 31.44 29.95 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 5.33 4.00 -4.43 4.31 7.94 -1.26 -4.98 117.00 127.92 1pdx n LEU 78 Ca 0.10 0.61 -0.23 0.00 -1.11 0.00 0.00 56.01 55.39 1pdx n LEU 78 Cb 0.11 -1.46 -0.08 0.00 0.53 0.00 0.00 43.42 42.51 1pdx n LEU 78 CO 0.55 -1.86 -0.18 -0.54 -1.11 0.00 0.00 177.39 174.25 1pdx s LYS 79 N -3.80 1.81 0.38 1.96 -0.14 -1.26 -4.95 119.74 113.75 1pdx s LYS 79 Ca 0.73 -2.08 0.19 0.00 -1.36 0.00 0.00 55.97 53.46 1pdx s LYS 79 Cb -0.31 -0.32 0.71 0.00 -1.68 0.00 0.00 37.83 36.23 1pdx s LYS 79 CO 0.51 -0.50 1.75 -1.00 -0.76 0.00 0.00 175.35 175.35 1pdx h PRO 80 N 1.96 0.00 -0.16 -1.68 0.13 -2.00 -2.92 132.00 127.33 1pdx h PRO 80 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1pdx h PRO 80 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1pdx h PRO 80 CO 0.52 0.35 0.00 0.27 -0.23 0.00 0.00 178.00 178.91 1pdx n ASN 81 N -3.53 3.20 -4.40 1.44 6.94 -1.26 -5.05 115.26 112.61 1pdx n ASN 81 Ca -0.00 -2.92 -0.39 0.00 -0.02 0.00 0.00 54.58 51.25 1pdx n ASN 81 Cb 0.49 -0.46 0.03 0.00 -2.36 0.00 0.00 39.78 37.48 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 -0.75 -1.87 -3.61 0.53 2.88 -1.11 -3.83 113.62 105.87 1pdx n SER 82 Ca 0.18 0.73 -0.15 0.00 -1.33 0.00 0.00 58.87 58.30 1pdx n SER 82 Cb 0.74 -1.06 -0.06 0.00 -0.75 0.00 0.00 64.21 63.08 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 -1.68 0.95 -0.44 -1.46 1.81 -0.55 -4.80 118.95 112.79 1pdx s ARG 83 Ca 0.64 -0.09 -0.09 0.00 -1.72 0.00 0.00 55.73 54.47 1pdx s ARG 83 Cb -0.48 0.44 0.09 0.00 -0.45 0.00 0.00 34.95 34.55 1pdx s ARG 83 CO 0.58 -0.31 0.29 -0.51 -0.68 0.00 0.00 175.30 174.67 1pdx s LEU 84 N -1.60 5.35 0.19 2.53 2.01 -1.26 -1.46 118.68 124.44 1pdx s LEU 84 Ca -0.09 -1.63 0.15 0.00 0.01 0.00 0.00 54.13 52.57 1pdx s LEU 84 Cb -0.01 -2.00 0.62 0.00 0.01 0.00 0.00 46.19 44.80 1pdx s LEU 84 CO 0.03 -0.59 0.62 0.00 1.01 0.00 0.00 176.35 177.41 1pdx n GLN 87 N -0.90 1.61 -3.89 0.00 1.13 0.71 -4.95 117.38 111.09 1pdx n GLN 87 Ca 0.11 -1.71 -0.34 0.00 -1.94 0.00 0.00 57.00 53.13 1pdx n GLN 87 Cb 0.05 -1.06 -0.13 0.00 0.11 0.00 0.00 30.24 29.21 1pdx n GLN 87 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1pdx s ILE 88 N -1.44 2.83 -0.00 5.09 -1.09 -0.94 -4.14 121.20 121.50 1pdx s ILE 88 Ca 0.12 -2.30 -0.27 0.00 -2.23 0.00 0.00 60.65 55.97 1pdx s ILE 88 Cb 0.10 -2.99 -0.04 0.00 -1.58 0.00 0.00 42.46 37.95 1pdx s ILE 88 CO 0.01 -0.67 0.86 -0.63 -1.23 0.00 0.00 174.94 173.28 1pdx s ILE 89 N 0.90 4.87 -0.17 2.92 -1.09 -1.26 -1.58 121.20 125.79 1pdx s ILE 89 Ca 0.10 1.80 -0.27 0.00 -2.23 0.00 0.00 60.65 60.05 1pdx s ILE 89 Cb -0.21 -4.20 -0.01 0.00 -1.58 0.00 0.00 42.46 36.46 1pdx s ILE 89 CO -0.06 0.24 0.92 -0.32 -1.23 0.00 0.00 174.94 174.49 1pdx s MET 90 N 0.68 4.31 0.26 2.79 1.75 0.04 -4.37 119.30 124.76 1pdx s MET 90 Ca 0.45 1.18 0.09 0.00 -1.25 0.00 0.00 55.69 56.16 1pdx s MET 90 Cb -0.20 -3.58 -0.04 0.00 2.84 0.00 0.00 34.83 33.84 1pdx s MET 90 CO 0.24 -0.40 -0.02 0.95 -0.65 0.00 0.00 175.02 175.15 1pdx s THR 91 N 2.37 3.42 -0.35 10.11 -4.23 -1.26 0.22 115.64 125.91 1pdx s THR 91 Ca 0.42 -1.89 0.20 0.00 -1.18 0.00 0.00 61.69 59.24 1pdx s THR 91 Cb -0.17 -2.81 0.20 0.00 1.34 0.00 0.00 72.50 71.06 1pdx s THR 91 CO 0.12 -0.34 1.61 -0.81 -0.54 0.00 0.00 174.62 174.66 1pdx n PRO 92 N -0.78 0.14 0.09 3.99 -0.04 -1.26 -0.84 135.00 136.30 1pdx n PRO 92 Ca -0.07 0.57 -0.19 0.00 -0.04 0.00 0.00 63.50 63.78 1pdx n PRO 92 Cb 0.59 -1.89 -0.15 0.00 -0.04 0.00 0.00 33.50 32.01 1pdx n PRO 92 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1pdx h GLU 93 N 0.00 0.33 -1.28 0.54 4.11 -2.00 -3.32 114.58 112.96 1pdx h GLU 93 Ca 0.00 -0.57 -0.31 0.00 0.07 0.00 0.00 59.36 58.55 1pdx h GLU 93 Cb 0.08 0.21 -0.15 0.00 0.50 0.00 0.00 28.75 29.39 1pdx h GLU 93 CO 0.00 1.23 0.40 1.28 0.07 0.00 0.00 179.01 182.00 1pdx n LEU 94 N -3.54 5.87 -4.59 3.06 4.77 -0.02 -4.92 117.00 117.63 1pdx n LEU 94 Ca -0.16 -3.04 -0.42 0.00 -0.03 0.00 0.00 56.01 52.37 1pdx n LEU 94 Cb 1.06 -0.89 -0.03 0.00 -2.33 0.00 0.00 43.42 41.22 1pdx n LEU 94 CO 0.53 1.05 1.74 1.51 -1.33 0.00 0.00 177.39 180.90 1pdx s ASP 95 N -0.05 5.46 0.00 -1.43 1.47 -1.20 -2.84 116.67 118.08 1pdx s ASP 95 Ca 0.32 1.47 0.00 0.00 1.18 0.00 0.00 52.55 55.52 1pdx s ASP 95 Cb 0.25 -2.52 0.00 0.00 -0.34 0.00 0.00 42.92 40.32 1pdx s ASP 95 CO 0.02 -2.02 0.00 0.61 0.68 0.00 0.00 175.17 174.46 1pdx n GLY 96 N 5.67 1.56 3.75 2.12 0.00 0.12 -4.50 105.19 113.92 1pdx n GLY 96 Ca 0.28 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.88 1pdx n GLY 96 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1pdx n ILE 97 N 0.00 1.37 -3.94 -0.61 0.13 -0.32 -4.84 119.36 111.13 1pdx n ILE 97 Ca 0.00 -0.34 -0.34 0.00 -1.10 0.00 0.00 62.75 60.97 1pdx n ILE 97 Cb 0.00 -1.96 -0.14 0.00 -0.84 0.00 0.00 39.64 36.70 1pdx n ILE 97 CO 0.00 0.00 0.00 -0.69 2.80 0.00 0.00 176.55 178.66 1pdx s VAL 98 N -0.40 2.82 0.15 9.51 1.01 -1.26 -0.99 120.40 131.24 1pdx s VAL 98 Ca 0.60 -1.41 0.02 0.00 0.00 0.00 0.00 61.98 61.20 1pdx s VAL 98 Cb -0.49 -2.62 -0.04 0.00 0.00 0.00 0.00 36.38 33.24 1pdx s VAL 98 CO 0.54 -0.07 0.28 -0.69 0.00 0.00 0.00 175.10 175.16 1pdx s VAL 99 N 1.23 5.33 -0.10 2.92 1.01 -0.83 0.61 120.40 130.56 1pdx s VAL 99 Ca -0.06 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.26 1pdx s VAL 99 Cb -0.20 -3.74 0.01 0.00 0.00 0.00 0.00 36.38 32.45 1pdx s VAL 99 CO -0.02 -0.09 -0.20 -1.81 0.00 0.00 0.00 175.10 172.97 1pdx s ASP 100 N -3.24 2.75 -0.23 3.32 1.01 1.14 0.28 116.67 121.69 1pdx s ASP 100 Ca 0.35 -0.50 -0.08 0.00 0.71 0.00 0.00 52.55 53.02 1pdx s ASP 100 Cb -0.11 -1.26 -0.04 0.00 1.01 0.00 0.00 42.92 42.52 1pdx s ASP 100 CO 0.28 0.10 0.10 -0.69 0.21 0.00 0.00 175.17 175.18 1pdx s VAL 101 N 0.58 4.76 0.91 -1.27 1.01 -0.29 0.27 120.40 126.37 1pdx s VAL 101 Ca -0.14 -0.03 -0.13 0.00 0.00 0.00 0.00 61.98 61.68 1pdx s VAL 101 Cb -0.17 -3.21 0.14 0.00 0.00 0.00 0.00 36.38 33.14 1pdx s VAL 101 CO 0.05 0.36 1.16 -2.16 0.00 0.00 0.00 175.10 174.51 1pdx s PRO 102 N 1.21 1.16 0.15 2.72 0.04 -1.26 -2.24 135.00 136.78 1pdx s PRO 102 Ca 0.05 0.16 0.23 0.00 0.04 0.00 0.00 61.00 61.48 1pdx s PRO 102 Cb -0.14 -1.85 -0.00 0.00 0.04 0.00 0.00 34.50 32.54 1pdx s PRO 102 CO 0.04 -2.16 1.00 -3.47 0.04 0.00 0.00 177.00 172.46 1pdx n ASP 103 N -3.71 0.71 -3.87 6.66 2.03 -1.26 -4.39 116.55 112.71 1pdx n ASP 103 Ca 0.08 0.21 -0.35 0.00 0.52 0.00 0.00 54.79 55.25 1pdx n ASP 103 Cb 0.60 0.64 -0.05 0.00 -0.72 0.00 0.00 41.12 41.59 1pdx n ASP 103 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1pdx n ARG 104 N -2.50 3.05 -2.29 -0.67 5.12 -1.26 -4.91 116.66 113.20 1pdx n ARG 104 Ca 0.00 -4.56 -0.40 0.00 -1.93 0.00 0.00 57.85 50.96 1pdx n ARG 104 Cb 0.53 -2.39 0.02 0.00 -1.16 0.00 0.00 32.46 29.46 1pdx n ARG 104 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1pdx n GLN 105 N 1.61 4.32 0.00 5.56 10.64 -1.26 -3.37 117.38 134.88 1pdx n GLN 105 Ca 0.25 -4.07 0.10 0.00 -1.83 0.00 0.00 57.00 51.45 1pdx n GLN 105 Cb 0.37 -2.40 0.58 0.00 -0.86 0.00 0.00 30.24 27.93 1pdx n GLN 105 CO 0.00 0.00 0.00 -2.67 -1.83 0.00 0.00 177.06 172.56