#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1py4 n ARG 3 N 0.00 0.45 0.00 2.61 5.12 -1.26 -5.02 116.66 118.56 1py4 n ARG 3 Ca 0.00 0.19 0.00 0.00 -1.93 0.00 0.00 57.85 56.11 1py4 n ARG 3 Cb 0.00 -1.27 0.00 0.00 -1.16 0.00 0.00 32.46 30.03 1py4 n ARG 3 CO 0.00 0.00 0.00 0.25 -1.93 0.00 0.00 177.63 175.95 1py4 n THR 4 N -4.13 0.00 0.00 0.55 -2.24 -1.26 -4.45 114.28 102.75 1py4 n THR 4 Ca -0.28 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1py4 n THR 4 Cb 0.62 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 1py4 n THR 4 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1py4 n PRO 5 N 0.00 3.17 -0.99 -0.78 -0.02 -1.26 -3.89 135.00 131.23 1py4 n PRO 5 Ca 0.00 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.12 1py4 n PRO 5 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.38 1py4 n PRO 5 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1py4 n LYS 6 N 0.00 0.00 0.00 -0.52 4.76 -1.26 -4.63 118.16 116.51 1py4 n LYS 6 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1py4 n LYS 6 Cb 0.00 -1.08 0.00 0.00 -1.84 0.00 0.00 35.03 32.11 1py4 n LYS 6 CO 0.00 0.00 0.00 1.51 -1.37 0.00 0.00 177.40 177.54 1py4 n ILE 7 N 5.05 0.00 -3.78 -0.18 0.00 -1.25 -5.13 119.36 114.07 1py4 n ILE 7 Ca 0.44 0.00 -0.30 0.00 0.00 0.00 0.00 62.75 62.89 1py4 n ILE 7 Cb -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 39.64 39.48 1py4 n ILE 7 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 1py4 s GLN 8 N -3.11 0.86 0.00 9.51 2.00 -1.26 -4.72 119.66 122.93 1py4 s GLN 8 Ca 0.00 -1.00 0.00 0.00 -2.00 0.00 0.00 55.36 52.36 1py4 s GLN 8 Cb 0.00 -2.16 0.00 0.00 0.80 0.00 0.00 33.01 31.65 1py4 s GLN 8 CO 0.00 -0.88 0.00 0.28 -0.50 0.00 0.00 175.29 174.19 1py4 n VAL 9 N 4.83 0.00 -3.50 1.34 0.31 -1.26 -5.08 118.33 114.97 1py4 n VAL 9 Ca -0.04 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.25 1py4 n VAL 9 Cb 0.43 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 33.38 1py4 n VAL 9 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 1py4 n TYR 10 N 0.00 -1.57 0.00 3.52 4.01 -1.26 -4.78 117.16 117.08 1py4 n TYR 10 Ca 0.00 -0.95 0.00 0.00 -0.16 0.00 0.00 57.90 56.79 1py4 n TYR 10 Cb 0.00 0.47 0.00 0.00 -0.31 0.00 0.00 39.34 39.50 1py4 n TYR 10 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1py4 n SER 11 N -1.21 0.00 -4.71 7.72 2.88 -1.26 -4.65 113.62 112.38 1py4 n SER 11 Ca -0.04 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.08 1py4 n SER 11 Cb 0.33 -0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.75 1py4 n SER 11 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1py4 s ARG 12 N 0.00 4.56 -0.11 -1.46 3.52 -1.26 -4.99 118.95 119.20 1py4 s ARG 12 Ca 0.00 1.35 -0.02 0.00 -0.13 0.00 0.00 55.73 56.93 1py4 s ARG 12 Cb 0.00 -3.45 -0.03 0.00 -1.56 0.00 0.00 34.95 29.91 1py4 s ARG 12 CO 0.00 -0.00 -0.05 -1.01 -0.81 0.00 0.00 175.30 173.43 1py4 s HIS 13 N 0.86 3.01 0.39 5.12 3.76 -1.26 -5.06 115.29 122.12 1py4 s HIS 13 Ca 0.49 -0.10 0.00 0.00 -0.15 0.00 0.00 55.06 55.30 1py4 s HIS 13 Cb -0.21 -1.83 0.00 0.00 1.11 0.00 0.00 32.58 31.65 1py4 s HIS 13 CO 0.27 0.19 0.00 -2.30 -0.85 0.00 0.00 174.74 172.04 1py4 n PRO 14 N 2.79 1.66 0.00 8.40 -0.02 -1.26 -4.70 135.00 141.87 1py4 n PRO 14 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 1py4 n PRO 14 Cb 0.53 -0.78 0.00 0.00 -0.02 0.00 0.00 33.50 33.23 1py4 n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1py4 n ALA 15 N -2.35 0.00 -2.33 3.55 0.00 -1.26 -4.92 120.51 113.20 1py4 n ALA 15 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 1py4 n ALA 15 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1py4 n ALA 15 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1py4 n GLU 16 N -0.41 -3.43 -1.74 0.00 4.07 -1.26 -4.67 120.64 113.20 1py4 n GLU 16 Ca 0.00 2.71 -0.42 0.00 -0.06 0.00 0.00 57.16 59.39 1py4 n GLU 16 Cb 0.00 -4.10 -0.02 0.00 -0.06 0.00 0.00 31.44 27.27 1py4 n GLU 16 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1py4 n ASN 17 N 1.23 3.82 -3.34 4.31 3.02 -1.26 -0.24 115.26 122.80 1py4 n ASN 17 Ca -0.30 1.15 -0.24 0.00 -0.03 0.00 0.00 54.58 55.16 1py4 n ASN 17 Cb 0.47 -1.59 0.04 0.00 -0.61 0.00 0.00 39.78 38.08 1py4 n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1py4 n GLY 18 N 2.11 -0.52 2.84 7.41 0.00 0.25 -4.96 105.19 112.31 1py4 n GLY 18 Ca 0.08 0.16 -0.27 0.00 0.00 0.00 0.00 46.02 45.99 1py4 n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1py4 s LYS 19 N -6.03 1.12 -0.06 1.61 -0.14 0.66 -5.03 119.74 111.87 1py4 s LYS 19 Ca 0.43 -0.37 -0.30 0.00 -1.36 0.00 0.00 55.97 54.37 1py4 s LYS 19 Cb -0.20 -1.82 -0.05 0.00 -1.68 0.00 0.00 37.83 34.07 1py4 s LYS 19 CO 0.54 -0.45 1.50 -1.54 -0.76 0.00 0.00 175.35 174.64 1py4 s SER 20 N 1.74 6.78 0.00 2.83 1.04 -1.26 -4.28 113.70 120.55 1py4 s SER 20 Ca 0.01 2.08 0.00 0.00 0.48 0.00 0.00 55.95 58.53 1py4 s SER 20 Cb -0.15 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.43 1py4 s SER 20 CO -0.07 -0.83 0.00 -3.20 0.98 0.00 0.00 173.24 170.11 1py4 n ASN 21 N 6.52 0.94 -3.51 7.02 4.05 -0.79 -5.00 115.26 124.50 1py4 n ASN 21 Ca 0.15 -0.56 -0.29 0.00 0.45 0.00 0.00 54.58 54.33 1py4 n ASN 21 Cb 0.43 0.00 -0.14 0.00 1.23 0.00 0.00 39.78 41.31 1py4 n ASN 21 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 1py4 s PHE 22 N -0.89 0.49 -0.18 1.20 0.40 -1.26 -3.80 117.98 113.94 1py4 s PHE 22 Ca 0.00 -1.20 -0.29 0.00 -0.60 0.00 0.00 56.93 54.84 1py4 s PHE 22 Cb 0.00 -0.91 0.00 0.00 0.51 0.00 0.00 43.02 42.62 1py4 s PHE 22 CO 0.00 -0.83 1.02 -1.17 0.70 0.00 0.00 175.22 174.94 1py4 s LEU 23 N 1.65 4.16 0.11 -0.37 1.98 -1.25 -4.89 118.68 120.08 1py4 s LEU 23 Ca 0.13 1.42 0.00 0.00 -2.89 0.00 0.00 54.13 52.79 1py4 s LEU 23 Cb -0.19 -3.53 -0.04 0.00 0.66 0.00 0.00 46.19 43.09 1py4 s LEU 23 CO -0.20 -0.58 -0.01 0.54 -1.89 0.00 0.00 176.35 174.20 1py4 s ASN 24 N 1.16 0.79 -0.30 3.68 2.20 -1.26 -3.04 114.94 118.18 1py4 s ASN 24 Ca 0.45 -1.09 -0.01 0.00 -0.94 0.00 0.00 52.86 51.28 1py4 s ASN 24 Cb -0.16 0.17 0.10 0.00 -2.00 0.00 0.00 41.25 39.36 1py4 s ASN 24 CO 0.11 -0.58 0.09 0.00 -2.94 0.00 0.00 177.10 173.77 1py4 s TYR 26 N 1.64 3.52 -0.01 0.00 5.04 -1.26 -0.92 117.35 125.35 1py4 s TYR 26 Ca 0.08 0.76 0.02 0.00 -2.44 0.00 0.00 57.07 55.49 1py4 s TYR 26 Cb -0.17 -2.42 0.00 0.00 0.35 0.00 0.00 41.96 39.72 1py4 s TYR 26 CO -0.23 0.27 -0.06 0.14 -1.34 0.00 0.00 175.55 174.33 1py4 s VAL 27 N 0.32 0.48 -0.13 3.14 -7.23 1.02 -4.94 120.40 113.07 1py4 s VAL 27 Ca 0.21 -0.22 -0.09 0.00 -1.81 0.00 0.00 61.98 60.08 1py4 s VAL 27 Cb -0.14 -0.43 0.04 0.00 0.56 0.00 0.00 36.38 36.41 1py4 s VAL 27 CO 0.08 0.16 0.31 -0.94 -0.31 0.00 0.00 175.10 174.39 1py4 s SER 28 N 0.11 -0.35 -1.53 4.85 1.04 -1.25 0.50 113.70 117.07 1py4 s SER 28 Ca -0.01 0.65 -0.06 0.00 0.48 0.00 0.00 55.95 57.01 1py4 s SER 28 Cb -0.05 0.59 0.06 0.00 0.10 0.00 0.00 66.02 66.71 1py4 s SER 28 CO -0.00 -0.15 0.48 0.61 0.98 0.00 0.00 173.24 175.17 1py4 n GLY 29 N 3.66 -0.28 3.64 7.32 0.00 1.91 -4.79 105.19 116.64 1py4 n GLY 29 Ca -0.19 0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 1py4 n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1py4 s PHE 30 N -3.79 3.28 -0.08 1.61 -0.12 0.18 -4.67 117.98 114.40 1py4 s PHE 30 Ca 0.26 0.19 0.03 0.00 -0.05 0.00 0.00 56.93 57.35 1py4 s PHE 30 Cb -0.14 -2.30 -0.02 0.00 -0.63 0.00 0.00 43.02 39.93 1py4 s PHE 30 CO 0.92 -0.01 -0.15 -0.47 -0.05 0.00 0.00 175.22 175.46 1py4 s TYR 31 N 1.27 2.70 0.00 3.49 6.14 -1.26 -3.89 117.35 125.81 1py4 s TYR 31 Ca 0.07 -0.37 0.00 0.00 0.64 0.00 0.00 57.07 57.41 1py4 s TYR 31 Cb -0.14 -1.69 0.00 0.00 0.42 0.00 0.00 41.96 40.54 1py4 s TYR 31 CO 0.06 0.02 0.00 -0.35 0.64 0.00 0.00 175.55 175.92 1py4 n PRO 32 N 2.76 3.23 0.04 4.97 -0.04 -1.26 -4.97 135.00 139.74 1py4 n PRO 32 Ca -0.17 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.42 1py4 n PRO 32 Cb 0.52 0.00 0.49 0.00 -0.04 0.00 0.00 33.50 34.47 1py4 n PRO 32 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1py4 n SER 33 N 0.00 0.38 -4.47 3.54 3.41 -1.26 -4.71 113.62 110.50 1py4 n SER 33 Ca 0.00 0.46 -0.43 0.00 -0.26 0.00 0.00 58.87 58.63 1py4 n SER 33 Cb 0.00 -0.52 -0.06 0.00 -0.26 0.00 0.00 64.21 63.37 1py4 n SER 33 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1py4 s ASP 34 N -3.65 6.26 0.35 4.04 1.11 -1.26 -5.01 116.67 118.51 1py4 s ASP 34 Ca 0.12 -0.70 0.07 0.00 0.18 0.00 0.00 52.55 52.22 1py4 s ASP 34 Cb 0.16 -2.33 -0.07 0.00 1.07 0.00 0.00 42.92 41.76 1py4 s ASP 34 CO 0.58 -0.95 -0.01 -0.63 1.18 0.00 0.00 175.17 175.34 1py4 s ILE 35 N 2.94 1.80 -0.08 0.77 1.09 -1.26 -4.38 121.20 122.08 1py4 s ILE 35 Ca 0.20 -2.07 -0.03 0.00 -1.10 0.00 0.00 60.65 57.65 1py4 s ILE 35 Cb -0.17 -2.78 0.05 0.00 -1.06 0.00 0.00 42.46 38.50 1py4 s ILE 35 CO 0.15 -0.10 0.15 -1.61 -0.10 0.00 0.00 174.94 173.43 1py4 s GLU 36 N -3.73 0.03 -0.07 2.79 2.02 0.12 -4.94 118.70 114.91 1py4 s GLU 36 Ca 0.34 0.54 -0.01 0.00 0.02 0.00 0.00 54.97 55.86 1py4 s GLU 36 Cb 0.07 -0.28 0.03 0.00 0.10 0.00 0.00 34.13 34.05 1py4 s GLU 36 CO 0.16 -0.30 -0.02 0.08 0.02 0.00 0.00 175.26 175.21 1py4 s VAL 37 N 2.19 0.49 -0.00 2.63 1.01 -1.26 -0.70 120.40 124.77 1py4 s VAL 37 Ca 0.02 0.03 0.07 0.00 0.00 0.00 0.00 61.98 62.10 1py4 s VAL 37 Cb -0.12 -0.61 -0.02 0.00 0.00 0.00 0.00 36.38 35.63 1py4 s VAL 37 CO -0.06 0.27 -0.22 -1.81 0.00 0.00 0.00 175.10 173.29 1py4 s ASP 38 N 1.76 2.56 0.11 3.32 1.01 -1.08 -5.02 116.67 119.32 1py4 s ASP 38 Ca 0.02 -0.43 -0.06 0.00 0.71 0.00 0.00 52.55 52.80 1py4 s ASP 38 Cb -0.13 -0.27 -0.05 0.00 1.01 0.00 0.00 42.92 43.48 1py4 s ASP 38 CO -0.05 0.24 0.36 -0.76 0.21 0.00 0.00 175.17 175.18 1py4 s LEU 39 N -0.68 4.29 -0.03 1.23 1.02 -1.26 -3.21 118.68 120.04 1py4 s LEU 39 Ca 0.08 0.60 0.05 0.00 0.02 0.00 0.00 54.13 54.88 1py4 s LEU 39 Cb -0.08 -3.18 -0.01 0.00 0.02 0.00 0.00 46.19 42.94 1py4 s LEU 39 CO -0.00 0.10 -0.16 -0.76 0.02 0.00 0.00 176.35 175.54 1py4 s LEU 40 N -2.44 1.97 -0.18 1.79 1.43 -1.15 0.17 118.68 120.27 1py4 s LEU 40 Ca 0.38 -0.32 -0.09 0.00 -1.03 0.00 0.00 54.13 53.07 1py4 s LEU 40 Cb -0.13 -0.89 -0.05 0.00 0.03 0.00 0.00 46.19 45.16 1py4 s LEU 40 CO 0.23 0.18 0.14 -0.75 0.23 0.00 0.00 176.35 176.37 1py4 s LYS 41 N -0.18 4.02 0.00 1.70 2.20 1.84 -3.72 119.74 125.60 1py4 s LYS 41 Ca 0.02 -0.19 0.00 0.00 -0.36 0.00 0.00 55.97 55.44 1py4 s LYS 41 Cb -0.09 -3.37 0.00 0.00 -1.51 0.00 0.00 37.83 32.87 1py4 s LYS 41 CO 0.01 0.41 0.00 0.09 -0.36 0.00 0.00 175.35 175.49 1py4 n ASN 42 N 3.17 0.00 0.00 1.43 3.02 -0.90 0.74 115.26 122.72 1py4 n ASN 42 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.38 1py4 n ASN 42 Cb 0.53 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.70 1py4 n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1py4 n GLY 43 N -0.80 2.97 3.61 7.41 0.00 -1.26 -4.98 105.19 112.14 1py4 n GLY 43 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1py4 n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1py4 s GLU 44 N -0.02 3.93 -0.59 1.61 -6.30 3.67 -4.99 118.70 116.01 1py4 s GLU 44 Ca 0.00 0.48 -0.40 0.00 -2.50 0.00 0.00 54.97 52.55 1py4 s GLU 44 Cb 0.00 -3.73 -0.19 0.00 0.00 0.00 0.00 34.13 30.21 1py4 s GLU 44 CO 0.00 -0.66 2.18 -2.13 0.02 0.00 0.00 175.26 174.68 1py4 n ARG 45 N 6.12 0.00 -1.63 4.30 0.63 -1.26 0.50 116.66 125.31 1py4 n ARG 45 Ca 0.02 0.00 -0.51 0.00 -0.92 0.00 0.00 57.85 56.44 1py4 n ARG 45 Cb 0.48 -1.45 -0.06 0.00 0.45 0.00 0.00 32.46 31.89 1py4 n ARG 45 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 1py4 n ILE 46 N 6.48 0.07 0.00 5.15 -0.00 0.46 -4.56 119.36 126.96 1py4 n ILE 46 Ca 0.55 -0.01 0.00 0.00 -0.00 0.00 0.00 62.75 63.29 1py4 n ILE 46 Cb -0.02 -1.08 0.00 0.00 -0.00 0.00 0.00 39.64 38.54 1py4 n ILE 46 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 1py4 n GLU 47 N 3.26 0.00 -1.89 0.38 1.02 -1.26 -4.29 120.64 117.86 1py4 n GLU 47 Ca 0.19 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.98 1py4 n GLU 47 Cb 0.21 -0.73 -0.01 0.00 -0.02 0.00 0.00 31.44 30.89 1py4 n GLU 47 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1py4 n LYS 48 N -0.32 3.38 -0.68 3.49 2.85 -1.26 -4.90 118.16 120.73 1py4 n LYS 48 Ca 0.00 -3.26 -0.29 0.00 -1.05 0.00 0.00 58.31 53.71 1py4 n LYS 48 Cb 0.00 -2.32 0.25 0.00 -0.65 0.00 0.00 35.03 32.31 1py4 n LYS 48 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 1py4 s VAL 49 N -3.23 1.85 0.08 0.58 -7.23 -1.26 -4.86 120.40 106.33 1py4 s VAL 49 Ca 0.53 0.00 0.06 0.00 -1.81 0.00 0.00 61.98 60.76 1py4 s VAL 49 Cb 0.33 -2.18 -0.03 0.00 0.56 0.00 0.00 36.38 35.07 1py4 s VAL 49 CO -0.24 0.00 -0.17 -1.61 -0.31 0.00 0.00 175.10 172.76 1py4 s GLU 50 N -4.71 0.97 0.00 4.82 8.01 0.38 -4.95 118.70 123.22 1py4 s GLU 50 Ca 0.68 -1.02 0.00 0.00 0.01 0.00 0.00 54.97 54.64 1py4 s GLU 50 Cb -0.21 -1.09 0.00 0.00 -4.31 0.00 0.00 34.13 28.52 1py4 s GLU 50 CO 0.62 0.25 0.00 -2.39 0.01 0.00 0.00 175.26 173.75 1py4 n HIS 51 N 1.27 0.00 -3.72 1.61 1.44 -1.26 -1.23 115.22 113.32 1py4 n HIS 51 Ca -0.20 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.38 1py4 n HIS 51 Cb 0.54 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.55 1py4 n HIS 51 CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 1py4 s SER 52 N 1.00 -0.48 0.00 4.39 1.04 -1.23 -4.93 113.70 113.49 1py4 s SER 52 Ca 0.00 0.91 -0.13 0.00 0.48 0.00 0.00 55.95 57.21 1py4 s SER 52 Cb 0.00 0.91 -0.16 0.00 0.10 0.00 0.00 66.02 66.87 1py4 s SER 52 CO 0.00 -0.16 0.98 0.47 0.98 0.00 0.00 173.24 175.51 1py4 n ASP 53 N 2.93 0.07 0.00 7.02 8.00 -1.26 -4.71 116.55 128.61 1py4 n ASP 53 Ca -0.14 -1.53 0.00 0.00 0.71 0.00 0.00 54.79 53.83 1py4 n ASP 53 Cb 0.57 -0.27 0.00 0.00 -0.02 0.00 0.00 41.12 41.40 1py4 n ASP 53 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1py4 n LEU 54 N 5.95 0.00 -3.86 0.64 7.94 -1.26 -4.92 117.00 121.49 1py4 n LEU 54 Ca 0.20 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.99 1py4 n LEU 54 Cb 0.27 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 44.10 1py4 n LEU 54 CO 0.66 0.00 -0.27 -0.94 -1.11 0.00 0.00 177.39 175.73 1py4 s SER 55 N 0.00 -0.03 0.41 1.96 1.04 -1.20 -5.06 113.70 110.82 1py4 s SER 55 Ca 0.00 0.03 0.04 0.00 0.48 0.00 0.00 55.95 56.49 1py4 s SER 55 Cb 0.00 0.16 -0.03 0.00 0.10 0.00 0.00 66.02 66.25 1py4 s SER 55 CO 0.00 -0.11 0.11 0.12 0.98 0.00 0.00 173.24 174.35 1py4 s PHE 56 N -0.33 1.81 0.00 5.02 2.19 -1.26 -1.36 117.98 124.05 1py4 s PHE 56 Ca -0.04 -1.23 0.00 0.00 0.33 0.00 0.00 56.93 56.00 1py4 s PHE 56 Cb -0.03 -1.22 0.00 0.00 -1.31 0.00 0.00 43.02 40.47 1py4 s PHE 56 CO 0.00 -0.22 0.00 0.45 1.83 0.00 0.00 175.22 177.28 1py4 n SER 57 N -1.26 0.00 0.00 6.13 2.88 -1.16 -4.91 113.62 115.30 1py4 n SER 57 Ca -0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 1py4 n SER 57 Cb 0.65 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.11 1py4 n SER 57 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1py4 n LYS 58 N -0.28 0.00 -0.77 -1.46 4.76 -1.26 -3.30 118.16 115.85 1py4 n LYS 58 Ca 0.00 0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.52 1py4 n LYS 58 Cb 0.00 -0.34 0.38 0.00 -1.84 0.00 0.00 35.03 33.23 1py4 n LYS 58 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1py4 n ASP 59 N 0.00 5.27 -0.09 4.39 5.75 -1.26 -2.88 116.55 127.73 1py4 n ASP 59 Ca 0.00 -2.80 0.14 0.00 -0.01 0.00 0.00 54.79 52.12 1py4 n ASP 59 Cb 0.00 -0.64 0.53 0.00 -1.03 0.00 0.00 41.12 39.98 1py4 n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1py4 n TRP 60 N 0.64 0.00 0.00 2.11 5.03 -1.26 -5.00 117.44 118.97 1py4 n TRP 60 Ca 0.26 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.79 1py4 n TRP 60 Cb 1.08 -0.24 0.00 0.00 -1.03 0.00 0.00 31.31 31.12 1py4 n TRP 60 CO 0.00 0.00 0.00 0.45 -0.03 0.00 0.00 177.69 178.11 1py4 n SER 61 N -1.11 0.00 -3.45 -0.99 2.88 -1.14 -2.46 113.62 107.36 1py4 n SER 61 Ca 0.12 0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.68 1py4 n SER 61 Cb 0.30 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.71 1py4 n SER 61 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1py4 s PHE 62 N 0.00 -0.18 0.08 0.66 0.40 -1.25 -2.98 117.98 114.70 1py4 s PHE 62 Ca 0.00 0.34 -0.18 0.00 -0.60 0.00 0.00 56.93 56.49 1py4 s PHE 62 Cb 0.00 0.11 0.04 0.00 0.51 0.00 0.00 43.02 43.68 1py4 s PHE 62 CO 0.00 -0.09 0.42 1.52 0.70 0.00 0.00 175.22 177.77 1py4 s TYR 63 N 1.59 -0.26 -2.84 0.36 -0.85 -0.46 0.51 117.35 115.39 1py4 s TYR 63 Ca -0.04 0.12 0.00 0.00 -0.52 0.00 0.00 57.07 56.62 1py4 s TYR 63 Cb -0.02 0.26 0.00 0.00 0.38 0.00 0.00 41.96 42.57 1py4 s TYR 63 CO -0.13 -0.64 0.00 1.47 -1.52 0.00 0.00 175.55 174.73 1py4 n LEU 64 N 0.18 0.00 -3.95 -3.49 -0.00 1.86 -3.23 117.00 108.36 1py4 n LEU 64 Ca -0.17 0.00 -0.18 0.00 -0.00 0.00 0.00 56.01 55.66 1py4 n LEU 64 Cb 0.62 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.88 1py4 n LEU 64 CO 0.19 0.00 -0.41 -1.48 -0.00 0.00 0.00 177.39 175.69 1py4 s LEU 65 N 0.00 1.79 0.27 1.47 2.34 -1.25 0.34 118.68 123.63 1py4 s LEU 65 Ca 0.00 -0.12 0.07 0.00 0.06 0.00 0.00 54.13 54.14 1py4 s LEU 65 Cb 0.00 -0.37 -0.03 0.00 -0.56 0.00 0.00 46.19 45.22 1py4 s LEU 65 CO 0.00 0.04 0.20 -0.31 -1.06 0.00 0.00 176.35 175.22 1py4 s TYR 66 N 0.19 3.05 -0.27 3.48 1.51 -0.10 -3.56 117.35 121.64 1py4 s TYR 66 Ca -0.02 -0.15 -0.30 0.00 -1.01 0.00 0.00 57.07 55.59 1py4 s TYR 66 Cb -0.06 -1.46 0.18 0.00 -0.11 0.00 0.00 41.96 40.51 1py4 s TYR 66 CO -0.00 0.47 1.33 1.52 -1.11 0.00 0.00 175.55 177.75 1py4 s TYR 67 N -2.18 -0.06 -0.27 2.71 -0.85 -0.37 0.78 117.35 117.12 1py4 s TYR 67 Ca 0.34 0.10 -0.26 0.00 -0.52 0.00 0.00 57.07 56.73 1py4 s TYR 67 Cb -0.07 0.49 0.15 0.00 0.38 0.00 0.00 41.96 42.91 1py4 s TYR 67 CO 0.25 -0.06 1.19 -0.08 -1.52 0.00 0.00 175.55 175.33 1py4 s THR 68 N -1.12 0.00 0.89 -3.49 -1.32 -1.17 0.14 115.64 109.57 1py4 s THR 68 Ca 0.08 0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 60.40 1py4 s THR 68 Cb -0.01 -1.00 -0.10 0.00 -1.51 0.00 0.00 72.50 69.88 1py4 s THR 68 CO -0.07 0.00 -0.29 -1.84 -2.21 0.00 0.00 174.62 170.21 1py4 n GLU 69 N 1.58 -0.03 -3.64 7.08 -0.00 -1.26 -3.77 120.64 120.60 1py4 n GLU 69 Ca -0.10 0.01 -0.02 0.00 -0.00 0.00 0.00 57.16 57.05 1py4 n GLU 69 Cb 0.57 -1.28 -0.03 0.00 -0.00 0.00 0.00 31.44 30.69 1py4 n GLU 69 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.13 176.54 1py4 s PHE 70 N -2.07 -0.04 -0.24 -1.84 -0.12 -1.25 -4.82 117.98 107.60 1py4 s PHE 70 Ca 0.49 0.05 -0.02 0.00 -0.05 0.00 0.00 56.93 57.40 1py4 s PHE 70 Cb -0.25 0.50 0.07 0.00 -0.63 0.00 0.00 43.02 42.71 1py4 s PHE 70 CO 0.74 -0.04 0.05 0.99 -0.05 0.00 0.00 175.22 176.91 1py4 s THR 71 N -1.46 0.74 0.13 -4.49 2.01 -1.26 -1.88 115.64 109.44 1py4 s THR 71 Ca 0.10 -0.91 -0.34 0.00 0.31 0.00 0.00 61.69 60.85 1py4 s THR 71 Cb -0.01 -1.32 -0.17 0.00 0.01 0.00 0.00 72.50 71.01 1py4 s THR 71 CO -0.06 -0.36 1.06 -2.65 -0.69 0.00 0.00 174.62 171.92 1py4 n PRO 72 N 4.95 0.73 -3.99 4.92 -0.02 -1.26 -4.66 135.00 135.67 1py4 n PRO 72 Ca -0.07 0.26 -0.12 0.00 -2.02 0.00 0.00 63.50 61.55 1py4 n PRO 72 Cb 0.45 -1.69 -0.13 0.00 -0.02 0.00 0.00 33.50 32.11 1py4 n PRO 72 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1py4 s THR 73 N -0.23 0.19 0.00 3.45 -4.23 -1.26 0.84 115.64 114.40 1py4 s THR 73 Ca 0.76 -0.40 0.00 0.00 -1.18 0.00 0.00 61.69 60.88 1py4 s THR 73 Cb -0.96 -0.23 0.00 0.00 1.34 0.00 0.00 72.50 72.65 1py4 s THR 73 CO 0.54 -0.13 0.00 1.21 -0.54 0.00 0.00 174.62 175.69 1py4 n GLU 74 N 2.51 0.00 0.00 3.99 2.13 -1.26 -1.72 120.64 126.29 1py4 n GLU 74 Ca -0.16 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.66 1py4 n GLU 74 Cb 0.58 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.29 1py4 n GLU 74 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1py4 n LYS 75 N -1.13 -0.04 -1.75 5.31 5.02 -1.26 -5.03 118.16 119.29 1py4 n LYS 75 Ca 0.00 -0.31 -0.41 0.00 -2.02 0.00 0.00 58.31 55.57 1py4 n LYS 75 Cb 0.00 -0.80 0.01 0.00 -0.02 0.00 0.00 35.03 34.22 1py4 n LYS 75 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1py4 n ASP 76 N -0.08 3.29 -4.19 4.39 9.92 -0.70 -5.04 116.55 124.14 1py4 n ASP 76 Ca 0.00 1.16 -0.29 0.00 -0.53 0.00 0.00 54.79 55.12 1py4 n ASP 76 Cb 0.06 -1.58 -0.16 0.00 -0.64 0.00 0.00 41.12 38.80 1py4 n ASP 76 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1py4 s GLU 77 N -2.27 2.32 0.44 -1.24 2.02 -1.26 -4.83 118.70 113.87 1py4 s GLU 77 Ca 0.58 -0.76 0.06 0.00 0.02 0.00 0.00 54.97 54.88 1py4 s GLU 77 Cb -0.47 -1.92 -0.05 0.00 0.10 0.00 0.00 34.13 31.79 1py4 s GLU 77 CO 0.60 0.26 0.11 0.71 0.02 0.00 0.00 175.26 176.96 1py4 s TYR 78 N 0.08 2.39 -0.09 1.61 1.51 -1.26 -2.11 117.35 119.48 1py4 s TYR 78 Ca -0.08 -0.69 -0.33 0.00 -1.01 0.00 0.00 57.07 54.96 1py4 s TYR 78 Cb -0.14 -1.84 0.14 0.00 -0.11 0.00 0.00 41.96 40.01 1py4 s TYR 78 CO 0.04 0.24 1.42 0.00 -1.11 0.00 0.00 175.55 176.14 1py4 s ALA 79 N -2.70 -2.47 0.01 3.71 0.00 -1.24 -2.72 121.76 116.36 1py4 s ALA 79 Ca 0.33 0.94 0.05 0.00 0.00 0.00 0.00 51.96 53.28 1py4 s ALA 79 Cb 0.05 0.24 -0.02 0.00 0.00 0.00 0.00 23.12 23.39 1py4 s ALA 79 CO 0.18 -1.05 -0.15 0.00 0.00 0.00 0.00 175.76 174.73 1py4 s ARG 81 N -0.74 0.79 0.09 0.00 3.52 -1.20 0.35 118.95 121.77 1py4 s ARG 81 Ca 0.04 -0.15 0.10 0.00 -0.13 0.00 0.00 55.73 55.59 1py4 s ARG 81 Cb -0.07 -1.49 -0.03 0.00 -1.56 0.00 0.00 34.95 31.79 1py4 s ARG 81 CO 0.00 -0.42 -0.25 0.08 -0.81 0.00 0.00 175.30 173.91 1py4 s VAL 82 N 1.88 2.04 -0.01 7.11 1.01 0.99 -2.65 120.40 130.77 1py4 s VAL 82 Ca 0.03 -1.56 -0.02 0.00 0.00 0.00 0.00 61.98 60.42 1py4 s VAL 82 Cb -0.14 -1.80 -0.00 0.00 0.00 0.00 0.00 36.38 34.44 1py4 s VAL 82 CO -0.07 0.13 0.05 0.21 0.00 0.00 0.00 175.10 175.43 1py4 s ASN 83 N -1.74 0.03 -0.21 3.32 3.84 0.12 0.31 114.94 120.61 1py4 s ASN 83 Ca 0.11 -0.09 -0.36 0.00 0.21 0.00 0.00 52.86 52.73 1py4 s ASN 83 Cb -0.10 0.13 0.15 0.00 -0.55 0.00 0.00 41.25 40.88 1py4 s ASN 83 CO 0.04 -0.15 1.31 -2.28 -2.79 0.00 0.00 177.10 173.23 1py4 s HIS 84 N -0.59 -0.06 -0.92 0.43 2.46 -1.26 0.11 115.29 115.46 1py4 s HIS 84 Ca -0.07 0.03 0.07 0.00 0.47 0.00 0.00 55.06 55.56 1py4 s HIS 84 Cb -0.04 0.51 0.32 0.00 -0.13 0.00 0.00 32.58 33.24 1py4 s HIS 84 CO 0.00 -0.11 1.22 1.55 -2.47 0.00 0.00 174.74 174.93 1py4 n VAL 85 N -0.12 1.57 0.22 0.89 3.14 -1.26 -2.30 118.33 120.46 1py4 n VAL 85 Ca 0.01 0.43 0.02 0.00 -2.96 0.00 0.00 64.34 61.84 1py4 n VAL 85 Cb 0.58 -1.35 -0.01 0.00 -1.06 0.00 0.00 33.84 32.00 1py4 n VAL 85 CO 0.00 0.00 0.00 0.41 -6.46 0.00 0.00 176.83 170.78 1py4 n THR 86 N -1.59 0.00 -3.95 1.55 -1.04 -1.26 -4.87 114.28 103.12 1py4 n THR 86 Ca 0.01 -0.42 -0.32 0.00 -2.04 0.00 0.00 64.05 61.27 1py4 n THR 86 Cb 0.07 1.03 -0.05 0.00 -1.82 0.00 0.00 70.33 69.56 1py4 n THR 86 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1py4 s LEU 87 N -1.69 4.26 0.00 -4.42 1.43 -0.97 -5.08 118.68 112.20 1py4 s LEU 87 Ca 0.03 0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.40 1py4 s LEU 87 Cb 0.04 -2.64 0.00 0.00 0.03 0.00 0.00 46.19 43.61 1py4 s LEU 87 CO 0.15 0.23 0.00 -1.54 0.23 0.00 0.00 176.35 175.43 1py4 n SER 88 N 0.78 0.00 -4.40 2.29 3.41 -1.26 -4.79 113.62 109.64 1py4 n SER 88 Ca -0.10 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.20 1py4 n SER 88 Cb 0.52 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.63 1py4 n SER 88 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1py4 n GLN 89 N 0.00 -1.04 -2.88 4.33 6.02 -1.26 -4.97 117.38 117.58 1py4 n GLN 89 Ca 0.00 -0.27 -0.25 0.00 -0.01 0.00 0.00 57.00 56.47 1py4 n GLN 89 Cb 0.00 -1.90 0.00 0.00 1.02 0.00 0.00 30.24 29.36 1py4 n GLN 89 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1py4 s PRO 90 N -3.78 3.31 -0.14 -1.09 0.04 -1.26 -4.97 135.00 127.10 1py4 s PRO 90 Ca 0.59 -0.15 -0.06 0.00 0.04 0.00 0.00 61.00 61.42 1py4 s PRO 90 Cb -0.19 -2.48 -0.04 0.00 0.04 0.00 0.00 34.50 31.83 1py4 s PRO 90 CO 0.66 -0.21 0.09 0.21 0.04 0.00 0.00 177.00 177.79 1py4 s LYS 91 N -4.62 3.60 -0.35 4.56 2.20 0.91 -4.83 119.74 121.21 1py4 s LYS 91 Ca 0.47 -0.26 -0.06 0.00 -0.36 0.00 0.00 55.97 55.76 1py4 s LYS 91 Cb -0.10 -3.14 0.05 0.00 -1.51 0.00 0.00 37.83 33.13 1py4 s LYS 91 CO 0.41 0.55 0.11 0.42 -0.36 0.00 0.00 175.35 176.49 1py4 s ILE 92 N -0.41 3.66 -0.22 5.43 1.09 -1.25 0.33 121.20 129.83 1py4 s ILE 92 Ca 0.10 -1.28 -0.07 0.00 -1.10 0.00 0.00 60.65 58.30 1py4 s ILE 92 Cb -0.12 -3.13 -0.04 0.00 -1.06 0.00 0.00 42.46 38.11 1py4 s ILE 92 CO 0.02 -0.25 0.07 -0.69 -0.10 0.00 0.00 174.94 173.99 1py4 s VAL 93 N 1.36 4.56 -0.39 2.92 1.01 1.09 -4.89 120.40 126.06 1py4 s VAL 93 Ca -0.01 -0.10 -0.06 0.00 0.00 0.00 0.00 61.98 61.81 1py4 s VAL 93 Cb -0.20 -3.10 0.08 0.00 0.00 0.00 0.00 36.38 33.16 1py4 s VAL 93 CO 0.02 0.38 0.18 -1.59 0.00 0.00 0.00 175.10 174.09 1py4 s LYS 94 N 1.09 2.40 0.00 2.72 -2.85 -1.26 0.39 119.74 122.22 1py4 s LYS 94 Ca 0.04 -1.50 0.00 0.00 -1.00 0.00 0.00 55.97 53.51 1py4 s LYS 94 Cb -0.14 -3.58 0.00 0.00 -2.06 0.00 0.00 37.83 32.04 1py4 s LYS 94 CO 0.03 -0.90 0.00 1.87 0.10 0.00 0.00 175.35 176.45 1py4 n TRP 95 N 4.76 0.00 1.37 1.78 -0.00 -1.10 -4.84 117.44 119.40 1py4 n TRP 95 Ca -0.08 0.00 0.13 0.00 -0.00 0.00 0.00 57.50 57.55 1py4 n TRP 95 Cb 0.43 0.00 0.42 0.00 -0.00 0.00 0.00 31.31 32.16 1py4 n TRP 95 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 177.69 177.44 1py4 n ASP 96 N 0.00 1.57 0.00 5.87 9.92 -1.26 -4.78 116.55 127.86 1py4 n ASP 96 Ca 0.00 -1.41 0.00 0.00 -0.53 0.00 0.00 54.79 52.85 1py4 n ASP 96 Cb 0.00 0.05 0.00 0.00 -0.64 0.00 0.00 41.12 40.53 1py4 n ASP 96 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19