#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 3.44 -0.02 4.33 1.02 -1.26 -1.24 119.74 126.01 1pdx s LYS 2 Ca 0.00 1.62 0.01 0.00 0.02 0.00 0.00 55.97 57.62 1pdx s LYS 2 Cb 0.00 -2.07 0.01 0.00 -0.52 0.00 0.00 37.83 35.25 1pdx s LYS 2 CO 0.00 -0.78 -0.01 0.08 -0.92 0.00 0.00 175.35 173.71 1pdx s VAL 3 N -1.75 0.18 -0.34 3.17 1.01 -1.19 -0.58 120.40 120.90 1pdx s VAL 3 Ca 0.71 -0.01 -0.00 0.00 0.00 0.00 0.00 61.98 62.68 1pdx s VAL 3 Cb -0.24 -0.22 0.13 0.00 0.00 0.00 0.00 36.38 36.05 1pdx s VAL 3 CO 0.28 0.10 0.24 -0.69 0.00 0.00 0.00 175.10 175.02 1pdx s VAL 4 N 0.47 -0.05 0.25 2.92 1.01 0.10 0.10 120.40 125.20 1pdx s VAL 4 Ca -0.04 -1.26 -0.30 0.00 0.00 0.00 0.00 61.98 60.38 1pdx s VAL 4 Cb -0.07 -0.98 -0.09 0.00 0.00 0.00 0.00 36.38 35.23 1pdx s VAL 4 CO -0.01 -0.81 1.23 -0.31 0.00 0.00 0.00 175.10 175.20 1pdx s TYR 5 N 1.46 3.33 0.36 5.22 1.51 -1.19 -1.30 117.35 126.73 1pdx s TYR 5 Ca 0.15 1.43 0.07 0.00 -1.01 0.00 0.00 57.07 57.72 1pdx s TYR 5 Cb -0.19 -3.50 -0.00 0.00 -0.11 0.00 0.00 41.96 38.15 1pdx s TYR 5 CO -0.10 -1.38 0.50 0.08 -1.11 0.00 0.00 175.55 173.53 1pdx s VAL 6 N -0.55 3.79 0.00 0.71 1.01 0.80 -0.56 120.40 125.60 1pdx s VAL 6 Ca 0.51 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 61.50 1pdx s VAL 6 Cb -0.35 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 32.73 1pdx s VAL 6 CO 0.42 -0.12 0.00 -1.54 0.00 0.00 0.00 175.10 173.86 1pdx n SER 7 N -1.71 0.11 -0.01 3.32 3.41 0.74 -1.04 113.62 118.44 1pdx n SER 7 Ca 0.02 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.53 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 0.07 -0.01 7.33 -0.00 -1.80 -3.26 115.15 117.47 1pdx h HIS 8 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 60.37 60.32 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 1.10 -0.31 -0.40 -0.00 0.00 0.00 177.93 178.32 1pdx n ASP 9 N -3.12 1.19 0.00 2.45 5.75 -1.26 -4.93 116.55 116.63 1pdx n ASP 9 Ca -0.18 -0.99 0.00 0.00 -0.01 0.00 0.00 54.79 53.62 1pdx n ASP 9 Cb 1.05 0.20 0.00 0.00 -1.03 0.00 0.00 41.12 41.34 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 1.36 1.91 3.64 6.12 0.00 -1.25 -5.06 105.19 111.91 1pdx n GLY 10 Ca 0.11 0.00 -0.48 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 -0.30 0.03 -4.19 2.61 -1.04 -1.26 -3.89 114.28 106.25 1pdx n THR 11 Ca 0.00 -0.01 -0.08 0.00 -2.04 0.00 0.00 64.05 61.92 1pdx n THR 11 Cb 0.00 -1.30 -0.02 0.00 -1.82 0.00 0.00 70.33 67.19 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 3.31 1.56 -4.10 -2.82 1.74 -1.25 0.26 116.66 115.36 1pdx n ARG 12 Ca 0.18 -0.94 -0.20 0.00 -0.77 0.00 0.00 57.85 56.12 1pdx n ARG 12 Cb 0.25 0.29 -0.07 0.00 -1.02 0.00 0.00 32.46 31.91 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 -0.31 0.45 -3.41 5.56 0.00 0.28 -4.93 116.66 114.30 1pdx n ARG 13 Ca -0.05 -3.09 -0.08 0.00 -0.00 0.00 0.00 57.85 54.63 1pdx n ARG 13 Cb 0.16 2.23 -0.08 0.00 -0.00 0.00 0.00 32.46 34.77 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 -3.31 0.35 0.00 2.89 2.02 -1.25 -3.20 118.70 116.20 1pdx s GLU 14 Ca 0.30 0.67 0.00 0.00 0.02 0.00 0.00 54.97 55.96 1pdx s GLU 14 Cb 0.01 -0.25 0.00 0.00 0.10 0.00 0.00 34.13 33.99 1pdx s GLU 14 CO 0.21 -0.55 0.00 1.28 0.02 0.00 0.00 175.26 176.22 1pdx n LEU 15 N 5.37 0.00 -2.97 1.80 4.77 0.12 -4.92 117.00 121.18 1pdx n LEU 15 Ca -0.05 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.78 1pdx n LEU 15 Cb 0.50 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.58 1pdx n LEU 15 CO 0.05 0.00 -0.04 -0.67 -1.33 0.00 0.00 177.39 175.39 1pdx n ASP 16 N 0.00 -1.45 -4.58 -1.43 -0.08 -1.26 -3.19 116.55 104.55 1pdx n ASP 16 Ca 0.00 -3.00 -0.42 0.00 -1.51 0.00 0.00 54.79 49.86 1pdx n ASP 16 Cb 0.00 0.65 -0.05 0.00 2.34 0.00 0.00 41.12 44.06 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 -0.18 4.68 0.00 5.18 1.01 -0.37 -4.63 120.40 126.09 1pdx s VAL 17 Ca 0.33 0.88 0.00 0.00 0.00 0.00 0.00 61.98 63.20 1pdx s VAL 17 Cb 0.19 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.32 1pdx s VAL 17 CO -0.18 -0.50 0.00 0.00 0.00 0.00 0.00 175.10 174.42 1pdx n ALA 18 N 6.55 0.00 -1.80 5.51 0.00 -1.26 0.34 120.51 129.86 1pdx n ALA 18 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.05 1pdx n ALA 18 Cb 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.90 1pdx n ALA 18 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1pdx s ASP 19 N -1.00 5.71 0.00 0.00 -1.08 0.32 -1.09 116.67 119.53 1pdx s ASP 19 Ca 0.00 1.66 0.00 0.00 -0.52 0.00 0.00 52.55 53.69 1pdx s ASP 19 Cb 0.00 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 38.94 1pdx s ASP 19 CO 0.00 -1.80 0.00 0.61 0.52 0.00 0.00 175.17 174.50 1pdx n GLY 20 N 5.53 2.21 3.82 2.66 0.00 -1.24 -5.00 105.19 113.18 1pdx n GLY 20 Ca 0.26 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.28 5.22 0.03 1.61 1.01 -0.25 -4.93 120.40 120.82 1pdx s VAL 21 Ca 0.00 0.62 -0.09 0.00 0.00 0.00 0.00 61.98 62.51 1pdx s VAL 21 Cb 0.00 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 1pdx s VAL 21 CO 0.00 0.53 0.34 -0.94 0.00 0.00 0.00 175.10 175.03 1pdx s SER 22 N -0.62 6.60 0.59 3.32 1.04 -1.26 -1.25 113.70 122.12 1pdx s SER 22 Ca 0.20 0.71 0.29 0.00 0.48 0.00 0.00 55.95 57.63 1pdx s SER 22 Cb -0.15 -2.15 1.39 0.00 0.10 0.00 0.00 66.02 65.21 1pdx s SER 22 CO 0.09 0.23 1.78 -0.07 0.98 0.00 0.00 173.24 176.25 1pdx h LEU 23 N 4.00 0.00 -1.01 2.42 3.38 -1.17 3.29 115.31 126.22 1pdx h LEU 23 Ca -0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1pdx h LEU 23 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1pdx h LEU 23 CO 0.65 0.00 0.00 -0.03 0.09 0.00 0.00 178.44 179.15 1pdx h MET 24 N 0.00 0.00 0.00 1.13 1.85 -1.57 -0.40 114.93 115.94 1pdx h MET 24 Ca 0.29 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.38 1pdx h MET 24 Cb 1.57 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.60 1pdx h MET 24 CO -0.00 0.00 0.00 0.94 -0.40 0.00 0.00 176.91 177.45 1pdx n GLN 25 N -2.88 0.00 -0.21 0.39 7.27 1.09 -3.33 117.38 119.71 1pdx n GLN 25 Ca 0.02 0.23 -0.01 0.00 0.07 0.00 0.00 57.00 57.31 1pdx n GLN 25 Cb 0.33 -0.69 0.06 0.00 2.41 0.00 0.00 30.24 32.35 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 -2.00 0.41 -0.68 1.69 0.00 -1.54 0.59 119.26 117.74 1pdx h ALA 26 Ca 0.00 0.25 0.15 0.00 0.00 0.00 0.00 54.91 55.30 1pdx h ALA 26 Cb 0.00 0.49 -0.12 0.00 0.00 0.00 0.00 17.79 18.16 1pdx h ALA 26 CO 0.00 -0.43 -0.02 0.00 0.00 0.00 0.00 179.25 178.80 1pdx h ALA 27 N 1.62 0.66 0.00 0.00 0.00 -1.26 1.80 119.26 122.08 1pdx h ALA 27 Ca 0.30 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1pdx h ALA 27 Cb 0.47 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1pdx h ALA 27 CO -0.66 -0.41 0.00 0.28 0.00 0.00 0.00 179.25 178.46 1pdx n VAL 28 N -5.33 0.00 -0.08 0.00 0.31 0.11 0.13 118.33 113.47 1pdx n VAL 28 Ca 0.11 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.37 1pdx n VAL 28 Cb 0.40 -0.65 -0.13 0.00 -0.91 0.00 0.00 33.84 32.55 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 -0.97 0.84 -0.77 4.52 2.88 0.59 -4.27 113.62 116.44 1pdx n SER 29 Ca 0.15 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.81 1pdx n SER 29 Cb 0.07 0.99 0.17 0.00 -0.75 0.00 0.00 64.21 64.69 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 -2.59 2.49 0.00 -3.46 3.02 -0.08 -4.92 115.26 109.73 1pdx n ASN 30 Ca -0.26 -1.78 0.00 0.00 -0.03 0.00 0.00 54.58 52.51 1pdx n ASN 30 Cb 1.01 0.08 0.00 0.00 -0.61 0.00 0.00 39.78 40.26 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 1.33 0.71 0.22 7.41 0.00 -0.74 -4.99 105.19 109.13 1pdx n GLY 31 Ca 0.14 -0.64 -0.08 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.08 -0.61 2.04 0.78 -3.26 117.51 116.37 1pdx h ILE 32 Ca 0.00 -0.61 -0.25 0.00 1.00 0.00 0.00 64.86 65.00 1pdx h ILE 32 Cb 0.15 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.16 1pdx h ILE 32 CO 0.00 0.00 -0.03 -1.22 0.00 0.00 0.00 178.15 176.90 1pdx n TYR 33 N -5.02 0.29 0.25 1.37 4.01 -1.16 -4.59 117.16 112.30 1pdx n TYR 33 Ca -0.06 -1.65 0.14 0.00 -0.16 0.00 0.00 57.90 56.17 1pdx n TYR 33 Cb 0.19 -1.65 0.60 0.00 -0.31 0.00 0.00 39.34 38.18 1pdx n TYR 33 CO 0.00 0.00 0.00 0.38 -0.46 0.00 0.00 176.86 176.78 1pdx h ASP 34 N 3.14 0.00 -3.42 7.72 2.03 -1.87 -3.41 116.42 120.61 1pdx h ASP 34 Ca 0.25 0.00 -0.41 0.00 -0.73 0.00 0.00 57.03 56.14 1pdx h ASP 34 Cb 1.37 0.00 0.19 0.00 -0.83 0.00 0.00 39.33 40.07 1pdx h ASP 34 CO 0.39 0.00 0.07 -0.63 -1.03 0.00 0.00 179.24 178.04 1pdx s ILE 35 N -4.19 1.60 -1.15 4.15 -1.09 -1.26 -4.92 121.20 114.33 1pdx s ILE 35 Ca -0.03 0.00 -0.11 0.00 -2.23 0.00 0.00 60.65 58.28 1pdx s ILE 35 Cb 0.08 -2.36 0.23 0.00 -1.58 0.00 0.00 42.46 38.84 1pdx s ILE 35 CO 0.28 0.00 1.24 -0.69 -1.23 0.00 0.00 174.94 174.54 1pdx s VAL 36 N -2.79 5.59 -0.60 2.92 1.01 -1.26 -4.85 120.40 120.42 1pdx s VAL 36 Ca 0.69 -3.08 0.05 0.00 0.00 0.00 0.00 61.98 59.65 1pdx s VAL 36 Cb -0.13 -4.73 0.31 0.00 0.00 0.00 0.00 36.38 31.83 1pdx s VAL 36 CO 0.57 -1.37 0.89 0.61 0.00 0.00 0.00 175.10 175.81 1pdx n GLY 37 N 3.31 5.39 2.48 4.51 0.00 -1.26 -4.88 105.19 114.73 1pdx n GLY 37 Ca 0.29 -2.78 -0.27 0.00 0.00 0.00 0.00 46.02 43.26 1pdx n GLY 37 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1pdx n ASP 38 N 0.06 3.67 -1.30 1.61 5.68 -1.26 -4.87 116.55 120.15 1pdx n ASP 38 Ca 0.31 -3.42 -0.04 0.00 -0.50 0.00 0.00 54.79 51.14 1pdx n ASP 38 Cb 0.40 -0.68 0.12 0.00 -1.14 0.00 0.00 41.12 39.82 1pdx n ASP 38 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1pdx n GLY 40 N 0.04 -0.33 1.97 0.00 0.00 -1.26 -1.67 105.19 103.92 1pdx n GLY 40 Ca 0.18 -0.07 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.24 0.61 0.74 -0.02 0.00 -1.26 -4.74 105.19 99.28 1pdx n GLY 41 Ca -0.14 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.59 2.12 -3.29 1.61 3.41 -0.67 -4.93 113.62 111.28 1pdx n SER 42 Ca -0.11 -2.05 -0.17 0.00 -0.26 0.00 0.00 58.87 56.29 1pdx n SER 42 Cb 0.41 -0.28 0.07 0.00 -0.26 0.00 0.00 64.21 64.14 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 0.56 -2.50 -0.78 7.33 0.00 -1.26 -4.93 120.51 118.93 1pdx n ALA 43 Ca 0.13 0.10 0.01 0.00 0.00 0.00 0.00 53.44 53.67 1pdx n ALA 43 Cb 0.35 -5.64 0.01 0.00 0.00 0.00 0.00 19.45 14.17 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 -3.17 0.81 -2.23 0.00 2.88 -1.26 -4.87 113.62 105.78 1pdx n SER 44 Ca -0.07 -1.56 -0.09 0.00 -1.33 0.00 0.00 58.87 55.81 1pdx n SER 44 Cb 0.62 -0.05 -0.03 0.00 -0.75 0.00 0.00 64.21 64.00 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 -2.23 0.96 0.46 0.00 0.00 -1.26 -4.85 120.51 113.60 1pdx n ALA 46 Ca -0.06 -0.28 0.12 0.00 0.00 0.00 0.00 53.44 53.23 1pdx n ALA 46 Cb 0.23 0.00 0.26 0.00 0.00 0.00 0.00 19.45 19.94 1pdx n ALA 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pdx h THR 47 N 2.93 0.00 -0.42 0.00 1.03 -1.70 -3.24 112.91 111.51 1pdx h THR 47 Ca 0.00 -0.66 -0.19 0.00 -0.01 0.00 0.00 66.41 65.54 1pdx h THR 47 Cb 0.98 1.53 -0.12 0.00 -1.07 0.00 0.00 68.15 69.48 1pdx h THR 47 CO 0.00 0.00 0.25 0.00 -0.01 0.00 0.00 175.52 175.76 1pdx s HIS 49 N -1.56 2.96 0.15 0.00 2.46 -1.22 -3.42 115.29 114.66 1pdx s HIS 49 Ca 0.26 0.86 -0.04 0.00 0.47 0.00 0.00 55.06 56.61 1pdx s HIS 49 Cb 0.21 -3.66 0.02 0.00 -0.13 0.00 0.00 32.58 29.02 1pdx s HIS 49 CO 0.05 -2.41 0.27 1.33 -2.47 0.00 0.00 174.74 171.51 1pdx n VAL 50 N 4.46 0.00 -3.59 0.89 0.24 -0.78 -4.43 118.33 115.11 1pdx n VAL 50 Ca 0.13 -0.50 -0.25 0.00 -2.04 0.00 0.00 64.34 61.68 1pdx n VAL 50 Cb 0.43 0.41 -0.16 0.00 -1.47 0.00 0.00 33.84 33.05 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 -5.58 0.11 0.07 6.34 2.02 0.70 -2.16 117.35 118.86 1pdx s TYR 51 Ca 0.08 -0.22 -0.30 0.00 -0.37 0.00 0.00 57.07 56.26 1pdx s TYR 51 Cb -0.01 -0.63 -0.05 0.00 -0.40 0.00 0.00 41.96 40.86 1pdx s TYR 51 CO 0.06 -0.53 1.10 0.08 -1.57 0.00 0.00 175.55 174.69 1pdx s VAL 52 N 2.17 4.27 0.45 0.71 1.01 -1.25 0.42 120.40 128.18 1pdx s VAL 52 Ca 0.03 1.71 -0.22 0.00 0.00 0.00 0.00 61.98 63.50 1pdx s VAL 52 Cb -0.16 -4.10 -0.11 0.00 0.00 0.00 0.00 36.38 32.01 1pdx s VAL 52 CO -0.10 0.18 0.61 -3.20 0.00 0.00 0.00 175.10 172.59 1pdx n ASN 53 N 3.49 -0.60 0.00 3.32 5.15 0.58 -4.60 115.26 122.59 1pdx n ASN 53 Ca 0.06 0.89 0.00 0.00 -0.60 0.00 0.00 54.58 54.93 1pdx n ASN 53 Cb 0.48 -1.16 0.00 0.00 -0.53 0.00 0.00 39.78 38.57 1pdx n ASN 53 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 1pdx n GLU 54 N 0.39 0.00 -0.23 1.20 0.28 -1.26 -1.18 120.64 119.84 1pdx n GLU 54 Ca 0.11 0.38 0.10 0.00 -0.16 0.00 0.00 57.16 57.59 1pdx n GLU 54 Cb 0.41 -1.52 0.26 0.00 1.43 0.00 0.00 31.44 32.02 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 -1.37 2.43 -1.01 -1.84 0.00 -1.26 -4.04 120.51 113.42 1pdx n ALA 55 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.55 1pdx n ALA 55 Cb 0.02 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 1.04 0.00 -0.00 0.00 3.01 -0.33 -4.62 117.46 116.56 1pdx n PHE 56 Ca 0.18 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.43 1pdx n PHE 56 Cb 0.47 0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 39.80 1pdx n PHE 56 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1pdx n THR 57 N 0.00 1.77 1.28 4.37 -2.24 -1.11 -3.00 114.28 115.34 1pdx n THR 57 Ca 0.00 -0.62 0.13 0.00 -2.27 0.00 0.00 64.05 61.29 1pdx n THR 57 Cb 0.34 -1.75 0.34 0.00 -2.10 0.00 0.00 70.33 67.16 1pdx n THR 57 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1pdx n ASP 58 N -3.53 1.97 -0.14 3.42 -0.08 -1.26 -4.12 116.55 112.81 1pdx n ASP 58 Ca -0.32 -1.60 -0.27 0.00 -1.51 0.00 0.00 54.79 51.09 1pdx n ASP 58 Cb 1.03 0.05 -0.10 0.00 2.34 0.00 0.00 41.12 44.43 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 0.45 0.60 -1.17 -0.67 5.02 -1.26 -4.95 118.16 116.19 1pdx n LYS 59 Ca 0.16 0.25 -0.21 0.00 -2.02 0.00 0.00 58.31 56.50 1pdx n LYS 59 Cb 0.44 -1.51 0.15 0.00 -0.02 0.00 0.00 35.03 34.09 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 -4.08 0.00 -1.80 -0.18 0.31 -1.16 -4.91 118.33 106.50 1pdx n VAL 60 Ca -0.52 -0.59 -0.42 0.00 -0.01 0.00 0.00 64.34 62.80 1pdx n VAL 60 Cb 0.90 -1.53 -0.03 0.00 -0.91 0.00 0.00 33.84 32.27 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 -4.95 4.16 -1.14 5.55 0.04 -1.26 -4.83 135.00 132.57 1pdx s PRO 61 Ca 0.52 2.50 -0.08 0.00 0.04 0.00 0.00 61.00 63.98 1pdx s PRO 61 Cb -0.02 -3.37 -0.06 0.00 0.04 0.00 0.00 34.50 31.09 1pdx s PRO 61 CO 0.37 -0.75 2.37 0.00 0.04 0.00 0.00 177.00 179.03 1pdx n ALA 62 N 4.86 5.57 -1.21 8.56 0.00 -1.26 -4.82 120.51 132.20 1pdx n ALA 62 Ca 0.16 -2.52 -0.51 0.00 0.00 0.00 0.00 53.44 50.57 1pdx n ALA 62 Cb 0.38 -3.14 -0.12 0.00 0.00 0.00 0.00 19.45 16.57 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 4.12 0.22 -1.39 0.00 0.00 -1.26 -4.88 120.51 117.32 1pdx n ALA 63 Ca 0.55 0.06 0.00 0.00 0.00 0.00 0.00 53.44 54.05 1pdx n ALA 63 Cb 0.17 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 17.66 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 7.66 0.00 -0.19 0.00 2.04 -1.26 -4.40 115.26 119.11 1pdx n ASN 64 Ca 0.53 0.00 0.17 0.00 -0.44 0.00 0.00 54.58 54.85 1pdx n ASN 64 Cb -0.02 0.00 0.30 0.00 -2.53 0.00 0.00 39.78 37.53 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 -0.58 120.64 115.23 1pdx n GLU 65 Ca 0.00 0.60 0.00 0.00 -0.16 0.00 0.00 57.16 57.60 1pdx n GLU 65 Cb 0.00 -1.14 0.00 0.00 1.43 0.00 0.00 31.44 31.73 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 -3.73 0.00 0.16 3.44 1.74 -1.26 -1.21 116.66 115.81 1pdx n ARG 66 Ca 0.18 0.65 -0.14 0.00 -0.77 0.00 0.00 57.85 57.77 1pdx n ARG 66 Cb 0.68 -1.48 -0.08 0.00 -1.02 0.00 0.00 32.46 30.56 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 -0.34 -0.13 5.56 4.57 -1.05 -1.95 114.58 121.25 1pdx h GLU 67 Ca 0.00 0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.24 1pdx h GLU 67 Cb 0.00 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 1pdx h GLU 67 CO 0.00 -0.23 0.75 0.82 -1.18 0.00 0.00 179.01 179.18 1pdx h ILE 68 N -0.35 0.02 0.00 2.32 5.03 -1.31 0.74 117.51 123.96 1pdx h ILE 68 Ca -0.03 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.71 1pdx h ILE 68 Cb 0.28 0.28 0.00 0.00 -3.03 0.00 0.00 36.82 34.34 1pdx h ILE 68 CO 0.05 0.00 0.00 0.61 -0.68 0.00 0.00 178.15 178.13 1pdx n GLY 69 N -1.42 1.06 0.36 5.37 0.00 -0.35 -1.42 105.19 108.79 1pdx n GLY 69 Ca 0.02 0.00 0.27 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 0.24 0.17 1.61 -0.00 -1.46 1.26 114.93 116.75 1pdx h MET 70 Ca 0.00 -0.01 -0.01 0.00 -0.00 0.00 0.00 59.70 59.68 1pdx h MET 70 Cb 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 31.60 31.55 1pdx h MET 70 CO 0.00 0.16 -0.08 1.25 -0.00 0.00 0.00 176.91 178.24 1pdx h LEU 71 N 0.25 -0.19 -2.11 -0.10 7.12 0.32 -0.35 115.31 120.25 1pdx h LEU 71 Ca 0.75 -0.13 0.07 0.00 0.13 0.00 0.00 57.88 58.70 1pdx h LEU 71 Cb 1.88 0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 42.05 1pdx h LEU 71 CO -0.57 0.02 0.32 -0.08 -0.13 0.00 0.00 178.44 178.00 1pdx h GLU 72 N -0.39 0.00 0.04 1.25 4.81 0.25 -1.20 114.58 119.34 1pdx h GLU 72 Ca -0.02 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1pdx h GLU 72 Cb 0.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1pdx h GLU 72 CO 0.04 0.00 -0.02 0.00 -0.73 0.00 0.00 179.01 178.30 1pdx n VAL 74 N -4.85 0.00 -1.85 0.00 0.24 -0.45 -4.88 118.33 106.53 1pdx n VAL 74 Ca -0.09 -0.46 -0.09 0.00 -2.04 0.00 0.00 64.34 61.66 1pdx n VAL 74 Cb 0.28 0.00 0.11 0.00 -1.47 0.00 0.00 33.84 32.76 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 -2.53 2.32 -3.14 3.34 -1.04 -1.25 -5.02 114.28 106.97 1pdx n THR 75 Ca -0.02 -3.70 0.00 0.00 -2.04 0.00 0.00 64.05 58.29 1pdx n THR 75 Cb 0.57 -0.65 0.00 0.00 -1.82 0.00 0.00 70.33 68.42 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 -0.88 0.00 -0.28 2.41 0.00 -1.22 -4.75 120.51 115.79 1pdx n ALA 76 Ca 0.31 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.64 1pdx n ALA 76 Cb 0.84 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.26 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 -0.10 0.00 -1.43 0.00 2.13 -1.26 -4.88 120.64 115.10 1pdx n GLU 77 Ca 0.00 -0.50 -0.36 0.00 0.66 0.00 0.00 57.16 56.96 1pdx n GLU 77 Cb 0.00 -1.88 0.09 0.00 0.27 0.00 0.00 31.44 29.92 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 5.44 4.46 -4.42 4.31 7.94 -1.26 -4.99 117.00 128.49 1pdx n LEU 78 Ca 0.11 0.71 -0.23 0.00 -1.11 0.00 0.00 56.01 55.49 1pdx n LEU 78 Cb 0.12 -1.47 -0.08 0.00 0.53 0.00 0.00 43.42 42.52 1pdx n LEU 78 CO 0.57 -1.65 -0.17 -0.54 -1.11 0.00 0.00 177.39 174.49 1pdx s LYS 79 N -3.47 1.82 0.22 1.96 -0.14 -1.26 -4.97 119.74 113.89 1pdx s LYS 79 Ca 0.76 -2.08 0.10 0.00 -1.36 0.00 0.00 55.97 53.39 1pdx s LYS 79 Cb -0.35 -0.24 0.13 0.00 -1.68 0.00 0.00 37.83 35.69 1pdx s LYS 79 CO 0.47 -0.52 1.48 -1.00 -0.76 0.00 0.00 175.35 175.01 1pdx h PRO 80 N 1.97 0.00 -0.57 -1.68 0.13 -2.00 -2.97 132.00 126.88 1pdx h PRO 80 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 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 0.50 0.75 0.00 0.27 -0.23 0.00 0.00 178.00 179.29 1pdx n ASN 81 N -3.56 3.98 -4.38 1.44 0.23 -1.26 -5.02 115.26 106.69 1pdx n ASN 81 Ca -0.00 -2.23 -0.40 0.00 -0.53 0.00 0.00 54.58 51.41 1pdx n ASN 81 Cb 0.75 -0.46 0.01 0.00 -2.08 0.00 0.00 39.78 38.00 1pdx n ASN 81 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1pdx n SER 82 N 1.02 -1.92 -3.54 0.53 7.64 -1.12 -3.97 113.62 112.26 1pdx n SER 82 Ca 0.22 0.79 -0.08 0.00 1.01 0.00 0.00 58.87 60.81 1pdx n SER 82 Cb 0.69 -1.03 -0.03 0.00 -1.01 0.00 0.00 64.21 62.83 1pdx n SER 82 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1pdx s ARG 83 N -1.48 0.64 -0.29 1.43 0.52 -0.92 -4.85 118.95 114.00 1pdx s ARG 83 Ca 0.63 -0.16 -0.08 0.00 -0.52 0.00 0.00 55.73 55.60 1pdx s ARG 83 Cb -0.54 0.29 -0.00 0.00 0.52 0.00 0.00 34.95 35.22 1pdx s ARG 83 CO 0.60 -0.26 0.09 -0.51 0.02 0.00 0.00 175.30 175.24 1pdx s LEU 84 N -2.10 3.82 0.47 2.53 1.43 -1.26 -1.87 118.68 121.70 1pdx s LEU 84 Ca 0.05 -0.56 0.19 0.00 -1.03 0.00 0.00 54.13 52.78 1pdx s LEU 84 Cb -0.01 -1.92 0.67 0.00 0.03 0.00 0.00 46.19 44.96 1pdx s LEU 84 CO -0.06 -0.16 0.98 0.00 0.23 0.00 0.00 176.35 177.35 1pdx n GLN 87 N -1.30 0.21 -3.39 0.00 -0.06 0.11 -4.89 117.38 108.06 1pdx n GLN 87 Ca 0.04 -0.64 -0.44 0.00 -2.00 0.00 0.00 57.00 53.95 1pdx n GLN 87 Cb 0.07 -0.86 -0.07 0.00 -4.06 0.00 0.00 30.24 25.31 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 -0.23 5.08 -0.12 1.69 -1.09 -1.05 -4.63 121.20 120.84 1pdx s ILE 88 Ca 0.00 -1.26 -0.20 0.00 -2.23 0.00 0.00 60.65 56.96 1pdx s ILE 88 Cb 0.00 -4.12 -0.04 0.00 -1.58 0.00 0.00 42.46 36.72 1pdx s ILE 88 CO 0.00 -0.67 0.56 -0.63 -1.23 0.00 0.00 174.94 172.97 1pdx s ILE 89 N 1.59 5.12 0.06 2.92 1.09 -1.26 -1.23 121.20 129.51 1pdx s ILE 89 Ca 0.04 1.11 -0.27 0.00 -1.10 0.00 0.00 60.65 60.43 1pdx s ILE 89 Cb -0.26 -3.89 -0.06 0.00 -1.06 0.00 0.00 42.46 37.19 1pdx s ILE 89 CO 0.05 0.27 0.83 -0.04 -0.10 0.00 0.00 174.94 175.94 1pdx s MET 90 N 0.92 4.56 0.42 2.79 -1.94 -0.38 -4.33 119.30 121.34 1pdx s MET 90 Ca 0.29 1.19 0.07 0.00 -1.71 0.00 0.00 55.69 55.53 1pdx s MET 90 Cb -0.16 -3.37 -0.04 0.00 2.01 0.00 0.00 34.83 33.27 1pdx s MET 90 CO 0.12 0.26 0.24 0.95 -0.01 0.00 0.00 175.02 176.57 1pdx s THR 91 N -0.02 2.33 -0.77 2.05 -4.23 -1.26 -0.52 115.64 113.21 1pdx s THR 91 Ca 0.41 -1.61 0.14 0.00 -1.18 0.00 0.00 61.69 59.45 1pdx s THR 91 Cb -0.21 -2.93 0.13 0.00 1.34 0.00 0.00 72.50 70.82 1pdx s THR 91 CO 0.25 0.00 1.42 -0.81 -0.54 0.00 0.00 174.62 174.94 1pdx n PRO 92 N -1.34 0.06 -0.03 3.99 -0.04 -1.26 -1.58 135.00 134.80 1pdx n PRO 92 Ca -0.00 0.41 -0.08 0.00 -0.04 0.00 0.00 63.50 63.79 1pdx n PRO 92 Cb 0.64 -1.65 -0.14 0.00 -0.04 0.00 0.00 33.50 32.31 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 -1.77 0.64 -0.57 0.54 0.28 -1.26 -3.97 120.64 114.53 1pdx n GLU 93 Ca 0.02 0.22 -0.08 0.00 -0.16 0.00 0.00 57.16 57.15 1pdx n GLU 93 Cb 0.12 -1.74 0.12 0.00 1.43 0.00 0.00 31.44 31.37 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 -2.95 4.49 -4.57 -1.84 4.77 -0.62 -4.87 117.00 111.41 1pdx n LEU 94 Ca -0.19 -2.34 -0.40 0.00 -0.03 0.00 0.00 56.01 53.05 1pdx n LEU 94 Cb 1.04 -0.65 -0.03 0.00 -2.33 0.00 0.00 43.42 41.45 1pdx n LEU 94 CO 0.44 0.69 1.81 -0.62 -1.33 0.00 0.00 177.39 178.38 1pdx s ASP 95 N -0.21 5.14 0.00 -1.43 2.15 -1.17 -2.32 116.67 118.83 1pdx s ASP 95 Ca 0.28 1.23 0.00 0.00 0.43 0.00 0.00 52.55 54.49 1pdx s ASP 95 Cb 0.23 -2.51 0.00 0.00 -0.30 0.00 0.00 42.92 40.34 1pdx s ASP 95 CO 0.06 -2.31 0.00 0.61 -0.17 0.00 0.00 175.17 173.36 1pdx n GLY 96 N 5.78 1.52 3.73 2.66 0.00 0.25 -4.41 105.19 114.71 1pdx n GLY 96 Ca 0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 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 1.61 -3.84 -0.61 0.13 -0.59 -4.79 119.36 111.27 1pdx n ILE 97 Ca 0.00 -0.40 -0.36 0.00 -1.10 0.00 0.00 62.75 60.89 1pdx n ILE 97 Cb 0.00 -1.78 -0.13 0.00 -0.84 0.00 0.00 39.64 36.88 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 -0.69 3.49 0.18 9.51 1.01 -1.26 -0.72 120.40 131.91 1pdx s VAL 98 Ca 0.59 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.68 1pdx s VAL 98 Cb -0.53 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 1pdx s VAL 98 CO 0.58 0.08 0.33 -0.69 0.00 0.00 0.00 175.10 175.40 1pdx s VAL 99 N 1.41 5.28 -0.16 2.92 1.01 -0.42 0.21 120.40 130.65 1pdx s VAL 99 Ca 0.01 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.40 1pdx s VAL 99 Cb -0.17 -3.75 0.02 0.00 0.00 0.00 0.00 36.38 32.48 1pdx s VAL 99 CO -0.00 -0.14 -0.16 -1.81 0.00 0.00 0.00 175.10 172.98 1pdx s ASP 100 N -3.27 2.83 -0.09 3.32 1.01 1.43 0.28 116.67 122.18 1pdx s ASP 100 Ca 0.36 -0.54 -0.12 0.00 0.71 0.00 0.00 52.55 52.96 1pdx s ASP 100 Cb -0.11 -1.28 -0.05 0.00 1.01 0.00 0.00 42.92 42.49 1pdx s ASP 100 CO 0.29 -0.03 0.29 -0.69 0.21 0.00 0.00 175.17 175.23 1pdx s VAL 101 N 1.39 5.27 0.65 -1.27 1.01 -0.21 0.25 120.40 127.49 1pdx s VAL 101 Ca 0.04 0.55 -0.03 0.00 0.00 0.00 0.00 61.98 62.54 1pdx s VAL 101 Cb -0.13 -3.59 0.06 0.00 0.00 0.00 0.00 36.38 32.72 1pdx s VAL 101 CO -0.11 0.53 0.92 -2.16 0.00 0.00 0.00 175.10 174.28 1pdx s PRO 102 N -0.56 2.22 0.13 2.72 0.04 -1.26 -2.97 135.00 135.32 1pdx s PRO 102 Ca 0.19 -0.60 0.23 0.00 0.04 0.00 0.00 61.00 60.85 1pdx s PRO 102 Cb -0.14 -2.32 0.09 0.00 0.04 0.00 0.00 34.50 32.17 1pdx s PRO 102 CO 0.07 -1.08 1.08 -3.47 0.04 0.00 0.00 177.00 173.64 1pdx n ASP 103 N -2.69 0.70 -3.85 6.66 2.03 -1.26 -4.36 116.55 113.78 1pdx n ASP 103 Ca 0.09 0.12 -0.35 0.00 0.52 0.00 0.00 54.79 55.17 1pdx n ASP 103 Cb 0.60 0.55 -0.05 0.00 -0.72 0.00 0.00 41.12 41.50 1pdx n ASP 103 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 1pdx n ARG 104 N -2.32 3.12 -2.38 -0.67 3.00 -1.26 -4.92 116.66 111.24 1pdx n ARG 104 Ca 0.01 -4.57 -0.40 0.00 -0.00 0.00 0.00 57.85 52.89 1pdx n ARG 104 Cb 0.49 -2.39 0.02 0.00 0.00 0.00 0.00 32.46 30.59 1pdx n ARG 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1pdx n GLN 105 N 1.53 4.61 0.00 -0.14 0.00 -1.26 -3.42 117.38 118.70 1pdx n GLN 105 Ca 0.26 -4.22 0.09 0.00 0.00 0.00 0.00 57.00 53.13 1pdx n GLN 105 Cb 0.37 -2.42 0.56 0.00 0.00 0.00 0.00 30.24 28.75 1pdx n GLN 105 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.06 174.39