#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x4p s ILE 1 N 0.00 2.74 -0.08 1.12 1.01 -1.26 -5.03 121.20 119.71 2x4p s ILE 1 Ca 0.00 0.61 -0.03 0.00 0.00 0.00 0.00 60.65 61.23 2x4p s ILE 1 Cb 0.00 -3.39 0.04 0.00 0.01 0.00 0.00 42.46 39.12 2x4p s ILE 1 CO 0.00 0.09 0.15 -1.10 0.00 0.00 0.00 174.94 174.08 2x4p s GLN 2 N -0.18 0.04 0.10 2.79 -0.21 -1.26 -4.23 119.66 116.71 2x4p s GLN 2 Ca 0.60 0.52 0.10 0.00 0.02 0.00 0.00 55.36 56.60 2x4p s GLN 2 Cb -0.41 -0.27 -0.04 0.00 1.00 0.00 0.00 33.01 33.30 2x4p s GLN 2 CO 0.41 -0.29 -0.26 1.03 -2.12 0.00 0.00 175.29 174.07 2x4p s ARG 3 N 2.10 1.59 -0.15 2.91 0.52 0.15 -4.93 118.95 121.14 2x4p s ARG 3 Ca 0.01 -1.24 -0.14 0.00 -0.52 0.00 0.00 55.73 53.83 2x4p s ARG 3 Cb -0.12 -1.95 -0.05 0.00 0.52 0.00 0.00 34.95 33.35 2x4p s ARG 3 CO -0.06 0.48 0.32 0.99 0.02 0.00 0.00 175.30 177.05 2x4p s THR 4 N -0.97 5.29 0.36 0.02 2.01 -1.26 -3.06 115.64 118.03 2x4p s THR 4 Ca 0.13 0.60 -0.28 0.00 0.31 0.00 0.00 61.69 62.46 2x4p s THR 4 Cb -0.10 -3.66 -0.10 0.00 0.01 0.00 0.00 72.50 68.65 2x4p s THR 4 CO 0.05 0.38 1.35 -2.84 -0.69 0.00 0.00 174.62 172.87 2x4p s PRO 5 N 0.46 4.18 0.08 4.92 0.02 -1.26 -4.55 135.00 138.84 2x4p s PRO 5 Ca 0.18 2.29 -0.18 0.00 0.02 0.00 0.00 61.00 63.31 2x4p s PRO 5 Cb -0.13 -2.95 -0.07 0.00 0.02 0.00 0.00 34.50 31.37 2x4p s PRO 5 CO 0.05 -0.37 0.54 0.15 -0.33 0.00 0.00 177.00 177.04 2x4p s LYS 6 N -2.00 4.11 -0.12 5.54 1.02 0.22 -4.88 119.74 123.64 2x4p s LYS 6 Ca 0.52 0.64 0.02 0.00 0.02 0.00 0.00 55.97 57.17 2x4p s LYS 6 Cb -0.41 -3.17 0.01 0.00 -0.52 0.00 0.00 37.83 33.74 2x4p s LYS 6 CO 0.54 0.61 -0.17 0.42 -0.92 0.00 0.00 175.35 175.84 2x4p s ILE 7 N -1.18 1.62 -0.08 2.17 1.01 -1.26 -1.59 121.20 121.89 2x4p s ILE 7 Ca 0.30 -0.72 0.02 0.00 0.00 0.00 0.00 60.65 60.25 2x4p s ILE 7 Cb -0.18 -1.47 0.01 0.00 0.01 0.00 0.00 42.46 40.83 2x4p s ILE 7 CO 0.18 0.47 -0.13 -1.10 0.00 0.00 0.00 174.94 174.36 2x4p s GLN 8 N 0.97 1.87 -0.17 2.79 -0.21 -0.90 -4.99 119.66 119.02 2x4p s GLN 8 Ca -0.06 -0.45 0.01 0.00 0.02 0.00 0.00 55.36 54.88 2x4p s GLN 8 Cb -0.15 -1.59 0.01 0.00 1.00 0.00 0.00 33.01 32.28 2x4p s GLN 8 CO -0.02 -0.03 -0.19 0.08 -2.12 0.00 0.00 175.29 173.01 2x4p s VAL 9 N 0.87 2.16 0.25 1.09 1.01 -1.26 -0.79 120.40 123.73 2x4p s VAL 9 Ca -0.10 -0.92 -0.17 0.00 0.00 0.00 0.00 61.98 60.79 2x4p s VAL 9 Cb -0.15 -1.90 0.01 0.00 0.00 0.00 0.00 36.38 34.34 2x4p s VAL 9 CO 0.01 0.53 0.58 -0.72 0.00 0.00 0.00 175.10 175.51 2x4p s TYR 10 N 1.16 0.03 0.10 5.22 -0.85 -0.91 -4.45 117.35 117.66 2x4p s TYR 10 Ca 0.02 -0.42 -0.02 0.00 -0.52 0.00 0.00 57.07 56.12 2x4p s TYR 10 Cb -0.14 0.44 -0.05 0.00 0.38 0.00 0.00 41.96 42.59 2x4p s TYR 10 CO -0.09 -1.07 0.29 -1.54 -1.52 0.00 0.00 175.55 171.62 2x4p s SER 11 N -2.94 6.43 0.07 -0.18 1.04 -1.26 -0.79 113.70 116.06 2x4p s SER 11 Ca 0.15 0.43 -0.28 0.00 0.48 0.00 0.00 55.95 56.72 2x4p s SER 11 Cb -0.03 -2.03 -0.17 0.00 0.10 0.00 0.00 66.02 63.89 2x4p s SER 11 CO 0.05 0.11 1.63 -0.09 0.98 0.00 0.00 173.24 175.92 2x4p h ARG 12 N 2.95 -0.49 -6.28 4.02 2.43 -1.46 -3.44 114.38 112.12 2x4p h ARG 12 Ca -0.45 0.03 -0.46 0.00 -0.81 0.00 0.00 59.98 58.29 2x4p h ARG 12 Cb 1.16 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 2x4p h ARG 12 CO 0.74 -0.30 -0.36 -1.01 -1.51 0.00 0.00 179.97 177.53 2x4p s HIS 13 N -5.96 2.90 0.23 2.20 3.76 -1.26 -5.03 115.29 112.13 2x4p s HIS 13 Ca -0.16 -0.34 -0.32 0.00 -0.15 0.00 0.00 55.06 54.10 2x4p s HIS 13 Cb 0.04 -2.06 -0.12 0.00 1.11 0.00 0.00 32.58 31.55 2x4p s HIS 13 CO 0.63 -0.07 1.61 -2.30 -0.85 0.00 0.00 174.74 173.76 2x4p n PRO 14 N -1.59 2.52 -2.04 8.40 -0.02 -1.26 -4.85 135.00 136.16 2x4p n PRO 14 Ca 0.02 0.90 -0.43 0.00 -2.02 0.00 0.00 63.50 61.98 2x4p n PRO 14 Cb 0.60 -2.69 -0.03 0.00 -0.02 0.00 0.00 33.50 31.36 2x4p n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2x4p s ALA 15 N 0.58 3.18 -0.19 3.55 0.00 -1.26 -4.98 121.76 122.64 2x4p s ALA 15 Ca 0.71 0.50 -0.01 0.00 0.00 0.00 0.00 51.96 53.16 2x4p s ALA 15 Cb -0.56 -3.90 0.01 0.00 0.00 0.00 0.00 23.12 18.67 2x4p s ALA 15 CO 0.41 -2.11 -0.14 -1.21 0.00 0.00 0.00 175.76 172.71 2x4p s GLU 16 N 4.95 3.13 0.11 0.00 2.02 -1.26 -5.08 118.70 122.58 2x4p s GLU 16 Ca 0.76 -0.76 -0.35 0.00 0.02 0.00 0.00 54.97 54.64 2x4p s GLU 16 Cb -0.26 -2.72 -0.15 0.00 0.10 0.00 0.00 34.13 31.10 2x4p s GLU 16 CO 0.31 -0.20 1.51 0.09 0.02 0.00 0.00 175.26 176.99 2x4p n ASN 17 N 4.66 2.56 0.00 -0.19 3.02 -1.26 -1.57 115.26 122.47 2x4p n ASN 17 Ca -0.20 1.09 0.00 0.00 -0.03 0.00 0.00 54.58 55.44 2x4p n ASN 17 Cb 0.50 -1.33 0.00 0.00 -0.61 0.00 0.00 39.78 38.34 2x4p n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2x4p n GLY 18 N 3.14 2.10 3.94 7.41 0.00 -0.80 -5.00 105.19 115.98 2x4p n GLY 18 Ca 0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 2x4p n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x4p s LYS 19 N -0.26 3.49 0.40 1.61 1.02 -0.61 -4.98 119.74 120.41 2x4p s LYS 19 Ca 0.00 -0.43 -0.24 0.00 0.02 0.00 0.00 55.97 55.32 2x4p s LYS 19 Cb 0.00 -2.79 -0.09 0.00 -0.52 0.00 0.00 37.83 34.43 2x4p s LYS 19 CO 0.00 0.32 1.06 -1.54 -0.92 0.00 0.00 175.35 174.27 2x4p s SER 20 N -3.64 6.72 0.27 2.83 1.04 -1.26 -3.99 113.70 115.67 2x4p s SER 20 Ca 0.38 2.07 -0.12 0.00 0.48 0.00 0.00 55.95 58.76 2x4p s SER 20 Cb -0.10 -2.59 0.05 0.00 0.10 0.00 0.00 66.02 63.48 2x4p s SER 20 CO 0.31 -0.52 0.62 -3.20 0.98 0.00 0.00 173.24 171.43 2x4p n ASN 21 N -0.08 -1.64 -3.99 7.02 2.85 0.24 -4.99 115.26 114.68 2x4p n ASN 21 Ca 0.05 -2.09 -0.21 0.00 -0.11 0.00 0.00 54.58 52.22 2x4p n ASN 21 Cb 0.49 2.71 -0.16 0.00 1.24 0.00 0.00 39.78 44.07 2x4p n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2x4p s PHE 22 N -3.80 1.03 -0.30 1.20 0.08 -1.26 -1.34 117.98 113.58 2x4p s PHE 22 Ca 0.13 -0.29 -0.17 0.00 0.12 0.00 0.00 56.93 56.71 2x4p s PHE 22 Cb -0.03 -0.76 -0.02 0.00 -0.57 0.00 0.00 43.02 41.63 2x4p s PHE 22 CO 0.08 -0.16 0.49 -1.17 -0.10 0.00 0.00 175.22 174.36 2x4p s LEU 23 N 0.44 4.18 -0.11 -0.37 2.96 -0.45 -1.00 118.68 124.32 2x4p s LEU 23 Ca -0.07 0.24 -0.05 0.00 -0.22 0.00 0.00 54.13 54.03 2x4p s LEU 23 Cb -0.11 -2.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.95 2x4p s LEU 23 CO 0.01 -0.35 0.07 0.20 -1.32 0.00 0.00 176.35 174.96 2x4p s ASN 24 N 1.66 5.82 -0.24 3.68 0.01 0.03 -2.78 114.94 123.12 2x4p s ASN 24 Ca 0.19 0.29 -0.00 0.00 -0.71 0.00 0.00 52.86 52.62 2x4p s ASN 24 Cb -0.16 -1.81 0.07 0.00 0.41 0.00 0.00 41.25 39.76 2x4p s ASN 24 CO 0.11 0.36 0.00 0.00 -1.51 0.00 0.00 177.10 176.07 2x4p s TYR 26 N 1.52 3.42 -0.04 0.00 5.04 0.03 -0.47 117.35 126.86 2x4p s TYR 26 Ca -0.01 -1.88 -0.13 0.00 -2.44 0.00 0.00 57.07 52.61 2x4p s TYR 26 Cb -0.18 -3.09 -0.05 0.00 0.35 0.00 0.00 41.96 38.98 2x4p s TYR 26 CO -0.10 -0.91 0.35 0.14 -1.34 0.00 0.00 175.55 173.69 2x4p s VAL 27 N 1.32 5.15 0.27 3.14 -7.23 -0.99 -2.12 120.40 119.95 2x4p s VAL 27 Ca 0.04 0.70 -0.06 0.00 -1.81 0.00 0.00 61.98 60.85 2x4p s VAL 27 Cb -0.23 -3.65 -0.01 0.00 0.56 0.00 0.00 36.38 33.05 2x4p s VAL 27 CO -0.01 0.56 0.41 -0.94 -0.31 0.00 0.00 175.10 174.81 2x4p s SER 28 N -0.87 0.34 -1.71 4.85 1.04 -0.62 -1.33 113.70 115.40 2x4p s SER 28 Ca 0.22 -1.24 0.00 0.00 0.48 0.00 0.00 55.95 55.41 2x4p s SER 28 Cb -0.15 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.54 2x4p s SER 28 CO 0.11 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 173.80 2x4p n GLY 29 N -0.43 0.49 3.91 7.32 0.00 -0.64 -0.61 105.19 115.24 2x4p n GLY 29 Ca 0.00 -0.13 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 2x4p n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2x4p s PHE 30 N -2.82 3.11 -0.29 1.61 -0.71 -1.15 -4.18 117.98 113.55 2x4p s PHE 30 Ca 0.00 -0.19 -0.16 0.00 -1.04 0.00 0.00 56.93 55.54 2x4p s PHE 30 Cb 0.00 -1.74 0.17 0.00 -1.21 0.00 0.00 43.02 40.24 2x4p s PHE 30 CO 0.00 0.23 1.10 -1.58 -1.34 0.00 0.00 175.22 173.63 2x4p s HIS 31 N -2.17 -0.36 0.95 3.49 2.46 -1.17 -0.10 115.29 118.38 2x4p s HIS 31 Ca 0.39 0.71 -0.16 0.00 0.47 0.00 0.00 55.06 56.48 2x4p s HIS 31 Cb -0.08 0.22 0.24 0.00 -0.13 0.00 0.00 32.58 32.83 2x4p s HIS 31 CO 0.28 -0.18 0.69 -2.30 -2.47 0.00 0.00 174.74 170.76 2x4p n PRO 32 N 3.58 -3.27 0.18 2.88 -0.02 -1.26 0.33 135.00 137.42 2x4p n PRO 32 Ca -0.17 -1.13 0.12 0.00 -2.02 0.00 0.00 63.50 60.30 2x4p n PRO 32 Cb 0.57 -1.24 0.23 0.00 -0.02 0.00 0.00 33.50 33.03 2x4p n PRO 32 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2x4p h SER 33 N -2.68 0.00 -2.48 2.55 4.64 -1.99 -3.46 113.55 110.13 2x4p h SER 33 Ca -0.28 -0.01 -0.54 0.00 -0.47 0.00 0.00 61.79 60.49 2x4p h SER 33 Cb 0.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 2x4p h SER 33 CO 0.18 0.00 1.18 -1.81 -0.87 0.00 0.00 176.83 175.51 2x4p s ASP 34 N -5.65 6.48 -0.19 4.97 1.01 -1.26 -4.95 116.67 117.09 2x4p s ASP 34 Ca 0.08 2.36 -0.17 0.00 0.71 0.00 0.00 52.55 55.53 2x4p s ASP 34 Cb 0.07 -2.53 0.05 0.00 1.01 0.00 0.00 42.92 41.52 2x4p s ASP 34 CO 0.66 -1.06 0.51 -0.51 0.21 0.00 0.00 175.17 174.97 2x4p s ILE 35 N 4.55 -0.00 -0.31 0.77 2.07 -1.26 -4.68 121.20 122.33 2x4p s ILE 35 Ca 0.81 0.00 -0.07 0.00 -1.41 0.00 0.00 60.65 59.99 2x4p s ILE 35 Cb -0.37 -0.71 0.02 0.00 0.13 0.00 0.00 42.46 41.54 2x4p s ILE 35 CO 0.35 0.00 0.09 -1.61 -1.91 0.00 0.00 174.94 171.86 2x4p s GLU 36 N 0.30 2.90 -0.12 3.50 8.01 -0.88 -5.00 118.70 127.40 2x4p s GLU 36 Ca -0.00 -0.99 0.02 0.00 0.01 0.00 0.00 54.97 54.01 2x4p s GLU 36 Cb -0.04 -3.41 0.01 0.00 -4.31 0.00 0.00 34.13 26.38 2x4p s GLU 36 CO 0.00 -0.54 -0.18 0.08 0.01 0.00 0.00 175.26 174.63 2x4p s VAL 37 N 1.46 1.74 0.04 2.63 1.01 -1.26 -0.45 120.40 125.58 2x4p s VAL 37 Ca 0.01 -0.79 0.09 0.00 0.00 0.00 0.00 61.98 61.29 2x4p s VAL 37 Cb -0.18 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.60 2x4p s VAL 37 CO 0.03 0.49 -0.25 -1.81 0.00 0.00 0.00 175.10 173.55 2x4p s ASP 38 N 0.93 3.05 -0.11 3.32 -0.00 -0.31 -4.99 116.67 118.56 2x4p s ASP 38 Ca -0.06 -0.57 -0.06 0.00 -0.00 0.00 0.00 52.55 51.85 2x4p s ASP 38 Cb -0.15 -0.28 -0.04 0.00 -0.00 0.00 0.00 42.92 42.45 2x4p s ASP 38 CO -0.02 0.25 0.13 -0.76 -0.00 0.00 0.00 175.17 174.77 2x4p s LEU 39 N -1.17 4.34 -0.06 1.23 1.43 -1.26 -0.63 118.68 122.56 2x4p s LEU 39 Ca 0.11 0.44 0.03 0.00 -1.03 0.00 0.00 54.13 53.68 2x4p s LEU 39 Cb -0.10 -2.09 0.01 0.00 0.03 0.00 0.00 46.19 44.04 2x4p s LEU 39 CO 0.02 0.40 -0.14 -0.76 0.23 0.00 0.00 176.35 176.10 2x4p s LEU 40 N -1.09 1.76 -0.39 1.79 1.43 0.94 -2.25 118.68 120.87 2x4p s LEU 40 Ca 0.16 -0.31 -0.03 0.00 -1.03 0.00 0.00 54.13 52.91 2x4p s LEU 40 Cb -0.12 -0.86 0.10 0.00 0.03 0.00 0.00 46.19 45.34 2x4p s LEU 40 CO 0.05 0.08 0.17 -0.75 0.23 0.00 0.00 176.35 176.13 2x4p s LYS 41 N 0.40 2.15 -0.91 1.70 2.20 0.85 -0.87 119.74 125.26 2x4p s LYS 41 Ca -0.10 -1.68 -0.00 0.00 -0.36 0.00 0.00 55.97 53.83 2x4p s LYS 41 Cb -0.14 -3.54 -0.01 0.00 -1.51 0.00 0.00 37.83 32.64 2x4p s LYS 41 CO 0.03 -0.98 0.76 0.09 -0.36 0.00 0.00 175.35 174.89 2x4p n ASN 42 N 4.64 -2.41 0.00 1.43 5.03 0.45 -3.00 115.26 121.39 2x4p n ASN 42 Ca -0.05 -0.48 0.00 0.00 0.87 0.00 0.00 54.58 54.92 2x4p n ASN 42 Cb 0.42 -4.06 0.00 0.00 -1.02 0.00 0.00 39.78 35.12 2x4p n ASN 42 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2x4p n GLY 43 N -1.12 2.51 3.93 7.41 0.00 -1.26 -4.97 105.19 111.69 2x4p n GLY 43 Ca -0.20 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 2x4p n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2x4p s GLU 44 N 0.00 3.53 -0.07 1.61 2.12 -1.16 -5.02 118.70 119.70 2x4p s GLU 44 Ca 0.00 -0.31 -0.19 0.00 0.36 0.00 0.00 54.97 54.83 2x4p s GLU 44 Cb 0.00 -2.78 -0.05 0.00 0.26 0.00 0.00 34.13 31.57 2x4p s GLU 44 CO 0.00 0.32 0.53 0.50 -0.54 0.00 0.00 175.26 176.07 2x4p s ARG 45 N -3.60 4.30 0.35 4.30 3.52 -1.26 -0.11 118.95 126.45 2x4p s ARG 45 Ca 0.39 0.58 -0.18 0.00 -0.13 0.00 0.00 55.73 56.39 2x4p s ARG 45 Cb -0.11 -3.39 -0.10 0.00 -1.56 0.00 0.00 34.95 29.80 2x4p s ARG 45 CO 0.30 0.27 0.82 0.42 -0.81 0.00 0.00 175.30 176.30 2x4p s ILE 46 N 0.22 4.54 -0.15 4.11 1.01 -0.96 -4.90 121.20 125.07 2x4p s ILE 46 Ca 0.28 1.23 0.12 0.00 0.00 0.00 0.00 60.65 62.28 2x4p s ILE 46 Cb -0.16 -3.66 -0.18 0.00 0.01 0.00 0.00 42.46 38.46 2x4p s ILE 46 CO 0.13 -0.16 0.03 -0.62 0.00 0.00 0.00 174.94 174.33 2x4p n GLU 47 N -0.27 1.46 -0.60 2.79 1.02 -1.26 -4.61 120.64 119.17 2x4p n GLU 47 Ca 0.04 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.08 2x4p n GLU 47 Cb 0.53 -1.38 0.05 0.00 -0.02 0.00 0.00 31.44 30.62 2x4p n GLU 47 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 2x4p n LYS 48 N -2.60 1.53 -2.88 3.49 2.85 -1.26 -4.91 118.16 114.38 2x4p n LYS 48 Ca -0.25 -1.16 -0.41 0.00 -1.05 0.00 0.00 58.31 55.44 2x4p n LYS 48 Cb 0.98 -1.45 -0.04 0.00 -0.65 0.00 0.00 35.03 33.86 2x4p n LYS 48 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2x4p s VAL 49 N -1.46 4.95 0.33 0.58 1.01 -1.26 -4.75 120.40 119.80 2x4p s VAL 49 Ca 0.22 1.75 0.08 0.00 0.00 0.00 0.00 61.98 64.04 2x4p s VAL 49 Cb 0.18 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 2x4p s VAL 49 CO 0.02 0.21 0.13 -1.61 0.00 0.00 0.00 175.10 173.86 2x4p s GLU 50 N 0.86 2.37 0.07 2.72 2.02 -0.46 -4.97 118.70 121.32 2x4p s GLU 50 Ca 0.45 -1.53 0.01 0.00 0.02 0.00 0.00 54.97 53.91 2x4p s GLU 50 Cb -0.19 -2.18 -0.04 0.00 0.10 0.00 0.00 34.13 31.82 2x4p s GLU 50 CO 0.23 0.13 -0.06 -3.38 0.02 0.00 0.00 175.26 172.21 2x4p s HIS 51 N -2.41 0.72 0.85 1.61 -3.43 -1.26 -1.26 115.29 110.10 2x4p s HIS 51 Ca 0.37 -0.82 -0.11 0.00 -0.80 0.00 0.00 55.06 53.69 2x4p s HIS 51 Cb -0.03 -0.44 0.10 0.00 -1.43 0.00 0.00 32.58 30.78 2x4p s HIS 51 CO 0.22 -0.18 1.10 -1.54 -2.00 0.00 0.00 174.74 172.34 2x4p s SER 52 N -2.57 4.00 0.42 7.38 1.04 -0.65 -5.00 113.70 118.33 2x4p s SER 52 Ca 0.04 1.39 -0.24 0.00 0.48 0.00 0.00 55.95 57.61 2x4p s SER 52 Cb 0.01 -2.09 -0.08 0.00 0.10 0.00 0.00 66.02 63.96 2x4p s SER 52 CO -0.04 -2.29 1.18 -1.81 0.98 0.00 0.00 173.24 171.25 2x4p s ASP 53 N -3.68 6.39 0.00 7.02 1.01 -1.26 -4.70 116.67 121.45 2x4p s ASP 53 Ca 0.62 2.35 -0.30 0.00 0.71 0.00 0.00 52.55 55.94 2x4p s ASP 53 Cb -0.16 -2.61 -0.08 0.00 1.01 0.00 0.00 42.92 41.08 2x4p s ASP 53 CO 0.55 -0.77 1.83 -0.22 0.21 0.00 0.00 175.17 176.77 2x4p s LEU 54 N -2.67 4.39 0.00 1.23 2.96 -1.26 -4.90 118.68 118.43 2x4p s LEU 54 Ca 0.59 2.49 0.04 0.00 -0.22 0.00 0.00 54.13 57.03 2x4p s LEU 54 Cb -0.30 -3.53 -0.02 0.00 0.50 0.00 0.00 46.19 42.84 2x4p s LEU 54 CO 0.38 -1.00 0.15 -0.24 -1.32 0.00 0.00 176.35 174.32 2x4p n SER 55 N 7.30 1.16 -3.93 3.68 2.88 -1.24 -5.05 113.62 118.42 2x4p n SER 55 Ca 0.19 -3.16 -0.10 0.00 -1.33 0.00 0.00 58.87 54.47 2x4p n SER 55 Cb 0.42 1.05 -0.06 0.00 -0.75 0.00 0.00 64.21 64.87 2x4p n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2x4p s PHE 56 N -3.09 0.53 0.24 0.66 -0.12 -1.26 -2.22 117.98 112.72 2x4p s PHE 56 Ca 0.21 -0.87 0.03 0.00 -0.05 0.00 0.00 56.93 56.26 2x4p s PHE 56 Cb 0.01 0.08 0.03 0.00 -0.63 0.00 0.00 43.02 42.51 2x4p s PHE 56 CO 0.15 -0.97 0.27 0.43 -0.05 0.00 0.00 175.22 175.05 2x4p n SER 57 N -0.49 1.28 -0.21 1.98 7.64 -0.50 -4.94 113.62 118.38 2x4p n SER 57 Ca -0.01 -1.73 0.01 0.00 1.01 0.00 0.00 58.87 58.16 2x4p n SER 57 Cb 0.62 -0.11 0.12 0.00 -1.01 0.00 0.00 64.21 63.84 2x4p n SER 57 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2x4p h LYS 58 N 0.00 0.29 -0.06 1.43 3.11 -2.03 -0.91 116.57 118.40 2x4p h LYS 58 Ca -0.13 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.69 2x4p h LYS 58 Cb 0.54 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.71 2x4p h LYS 58 CO 0.20 0.19 0.00 -0.40 -2.81 0.00 0.00 179.45 176.63 2x4p n ASP 59 N -5.10 0.38 0.00 4.20 5.68 -1.26 -4.88 116.55 115.56 2x4p n ASP 59 Ca 0.10 -1.76 0.00 0.00 -0.50 0.00 0.00 54.79 52.63 2x4p n ASP 59 Cb 0.34 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.28 2x4p n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 2x4p n TRP 60 N -0.41 0.00 -2.37 2.11 7.02 -0.35 -5.01 117.44 118.44 2x4p n TRP 60 Ca 0.08 0.00 -0.40 0.00 -1.02 0.00 0.00 57.50 56.16 2x4p n TRP 60 Cb 0.09 -0.03 -0.03 0.00 -2.42 0.00 0.00 31.31 28.92 2x4p n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2x4p s SER 61 N -3.50 6.98 0.45 -0.99 1.04 -1.26 -4.61 113.70 111.81 2x4p s SER 61 Ca 0.00 2.36 -0.11 0.00 0.48 0.00 0.00 55.95 58.68 2x4p s SER 61 Cb 0.00 -2.63 -0.06 0.00 0.10 0.00 0.00 66.02 63.43 2x4p s SER 61 CO 0.00 -0.36 0.83 -0.36 0.98 0.00 0.00 173.24 174.33 2x4p s PHE 62 N -1.24 3.50 0.03 5.02 0.08 0.86 -1.41 117.98 124.80 2x4p s PHE 62 Ca 0.49 1.10 0.02 0.00 0.12 0.00 0.00 56.93 58.66 2x4p s PHE 62 Cb -0.33 -2.50 -0.02 0.00 -0.57 0.00 0.00 43.02 39.60 2x4p s PHE 62 CO 0.42 -0.23 -0.07 1.52 -0.10 0.00 0.00 175.22 176.76 2x4p s TYR 63 N -2.54 0.62 0.04 0.36 -0.85 -0.94 -1.61 117.35 112.42 2x4p s TYR 63 Ca 0.52 -0.36 -0.00 0.00 -0.52 0.00 0.00 57.07 56.71 2x4p s TYR 63 Cb -0.10 -0.38 -0.03 0.00 0.38 0.00 0.00 41.96 41.83 2x4p s TYR 63 CO 0.35 -0.06 -0.04 -0.51 -1.52 0.00 0.00 175.55 173.78 2x4p s LEU 64 N -1.09 2.37 -0.16 -3.49 1.43 -0.44 -3.63 118.68 113.66 2x4p s LEU 64 Ca -0.06 -0.76 0.01 0.00 -1.03 0.00 0.00 54.13 52.29 2x4p s LEU 64 Cb -0.07 0.11 0.02 0.00 0.03 0.00 0.00 46.19 46.28 2x4p s LEU 64 CO 0.00 -0.44 -0.18 -0.22 0.23 0.00 0.00 176.35 175.74 2x4p s LEU 65 N -2.24 1.98 -0.14 1.79 2.96 -1.26 -2.33 118.68 119.44 2x4p s LEU 65 Ca -0.03 -0.59 -0.07 0.00 -0.22 0.00 0.00 54.13 53.22 2x4p s LEU 65 Cb -0.01 -1.37 -0.04 0.00 0.50 0.00 0.00 46.19 45.27 2x4p s LEU 65 CO -0.05 -0.00 0.11 -0.31 -1.32 0.00 0.00 176.35 174.77 2x4p s TYR 66 N 1.27 3.45 0.18 5.38 2.02 0.38 -1.63 117.35 128.40 2x4p s TYR 66 Ca 0.03 0.38 -0.14 0.00 -0.37 0.00 0.00 57.07 56.97 2x4p s TYR 66 Cb -0.13 -1.97 0.01 0.00 -0.40 0.00 0.00 41.96 39.47 2x4p s TYR 66 CO -0.10 0.54 0.42 1.52 -1.57 0.00 0.00 175.55 176.36 2x4p s TYR 67 N -0.59 0.10 -0.09 2.71 -0.85 -0.39 0.36 117.35 118.60 2x4p s TYR 67 Ca 0.12 -0.46 -0.30 0.00 -0.52 0.00 0.00 57.07 55.92 2x4p s TYR 67 Cb -0.12 0.20 0.10 0.00 0.38 0.00 0.00 41.96 42.53 2x4p s TYR 67 CO 0.02 -0.83 0.87 -0.08 -1.52 0.00 0.00 175.55 174.01 2x4p s THR 68 N -3.91 0.00 0.06 -3.49 -1.32 -1.12 -1.35 115.64 104.50 2x4p s THR 68 Ca 0.12 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.30 2x4p s THR 68 Cb 0.01 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.94 2x4p s THR 68 CO -0.02 0.00 1.33 -0.70 -2.21 0.00 0.00 174.62 173.02 2x4p s GLU 69 N -1.51 4.34 0.15 7.08 2.56 -1.26 -1.35 118.70 128.71 2x4p s GLU 69 Ca -0.03 1.93 -0.09 0.00 0.00 0.00 0.00 54.97 56.77 2x4p s GLU 69 Cb -0.00 -3.39 -0.01 0.00 2.00 0.00 0.00 34.13 32.73 2x4p s GLU 69 CO 0.02 -0.43 0.28 -0.59 -0.56 0.00 0.00 175.26 173.98 2x4p s PHE 70 N 1.53 0.33 -0.24 5.30 -0.00 -0.45 -4.91 117.98 119.55 2x4p s PHE 70 Ca 0.62 -0.71 0.01 0.00 -0.00 0.00 0.00 56.93 56.86 2x4p s PHE 70 Cb -0.32 -0.04 0.06 0.00 -0.00 0.00 0.00 43.02 42.71 2x4p s PHE 70 CO 0.28 -0.70 -0.07 0.99 -0.00 0.00 0.00 175.22 175.73 2x4p s THR 71 N -3.95 1.66 0.81 -4.49 2.01 -1.26 -0.59 115.64 109.83 2x4p s THR 71 Ca 0.15 -1.29 -0.14 0.00 0.31 0.00 0.00 61.69 60.72 2x4p s THR 71 Cb 0.03 -1.88 0.05 0.00 0.01 0.00 0.00 72.50 70.71 2x4p s THR 71 CO -0.02 -0.07 0.94 -2.65 -0.69 0.00 0.00 174.62 172.13 2x4p n PRO 72 N 4.63 0.13 -4.33 4.92 -0.02 -1.26 -4.76 135.00 134.31 2x4p n PRO 72 Ca -0.13 0.11 -0.20 0.00 -2.02 0.00 0.00 63.50 61.26 2x4p n PRO 72 Cb 0.44 -2.22 -0.08 0.00 -0.02 0.00 0.00 33.50 31.62 2x4p n PRO 72 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2x4p s THR 73 N -2.12 0.16 -0.59 3.45 -4.23 -1.26 -1.91 115.64 109.14 2x4p s THR 73 Ca 0.69 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 59.45 2x4p s THR 73 Cb -0.29 -2.47 0.31 0.00 1.34 0.00 0.00 72.50 71.39 2x4p s THR 73 CO 0.55 0.00 1.73 -0.08 -0.54 0.00 0.00 174.62 176.28 2x4p h GLU 74 N 2.12 0.00 0.00 3.99 4.81 -1.99 -3.37 114.58 120.14 2x4p h GLU 74 Ca -0.29 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.92 2x4p h GLU 74 Cb 1.24 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.62 2x4p h GLU 74 CO 0.44 0.00 -1.07 1.63 -0.73 0.00 0.00 179.01 179.28 2x4p n LYS 75 N -2.56 2.44 -2.39 1.92 5.02 -1.26 -5.04 118.16 116.29 2x4p n LYS 75 Ca 0.05 -0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.91 2x4p n LYS 75 Cb 0.44 -1.03 -0.03 0.00 -0.02 0.00 0.00 35.03 34.39 2x4p n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2x4p s ASP 76 N -2.78 7.03 0.02 4.39 1.01 -1.26 -5.02 116.67 120.06 2x4p s ASP 76 Ca -0.01 2.00 -0.10 0.00 0.71 0.00 0.00 52.55 55.16 2x4p s ASP 76 Cb 0.01 -2.57 -0.05 0.00 1.01 0.00 0.00 42.92 41.31 2x4p s ASP 76 CO 0.05 -0.53 0.33 -1.61 0.21 0.00 0.00 175.17 173.62 2x4p s GLU 77 N 1.43 3.71 0.05 8.23 2.02 -1.26 -4.74 118.70 128.14 2x4p s GLU 77 Ca 0.59 0.12 0.04 0.00 0.02 0.00 0.00 54.97 55.74 2x4p s GLU 77 Cb -0.29 -3.09 -0.02 0.00 0.10 0.00 0.00 34.13 30.82 2x4p s GLU 77 CO 0.27 0.64 -0.12 0.71 0.02 0.00 0.00 175.26 176.78 2x4p s TYR 78 N -1.26 1.08 0.30 1.61 2.02 -1.26 -0.41 117.35 119.43 2x4p s TYR 78 Ca 0.27 -0.41 -0.18 0.00 -0.37 0.00 0.00 57.07 56.39 2x4p s TYR 78 Cb -0.14 -0.63 0.02 0.00 -0.40 0.00 0.00 41.96 40.82 2x4p s TYR 78 CO 0.15 0.02 0.68 0.00 -1.57 0.00 0.00 175.55 174.83 2x4p s ALA 79 N -1.08 -0.86 -0.05 3.71 0.00 -0.05 -0.18 121.76 123.25 2x4p s ALA 79 Ca -0.02 -0.56 0.05 0.00 0.00 0.00 0.00 51.96 51.43 2x4p s ALA 79 Cb -0.09 0.86 -0.02 0.00 0.00 0.00 0.00 23.12 23.88 2x4p s ALA 79 CO 0.01 -0.99 -0.20 0.00 0.00 0.00 0.00 175.76 174.59 2x4p s ARG 81 N -0.41 2.56 -0.17 0.00 3.52 0.20 -1.04 118.95 123.61 2x4p s ARG 81 Ca 0.04 -1.14 -0.02 0.00 -0.13 0.00 0.00 55.73 54.49 2x4p s ARG 81 Cb -0.12 -2.79 -0.01 0.00 -1.56 0.00 0.00 34.95 30.47 2x4p s ARG 81 CO 0.02 -0.43 -0.10 0.08 -0.81 0.00 0.00 175.30 174.05 2x4p s VAL 82 N 1.19 3.10 0.07 7.11 1.01 0.60 -1.16 120.40 132.33 2x4p s VAL 82 Ca -0.03 -0.61 0.06 0.00 0.00 0.00 0.00 61.98 61.39 2x4p s VAL 82 Cb -0.17 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 2x4p s VAL 82 CO -0.08 0.49 -0.08 0.21 0.00 0.00 0.00 175.10 175.64 2x4p s ASN 83 N 0.86 4.51 0.00 3.32 3.84 0.41 -0.62 114.94 127.26 2x4p s ASN 83 Ca -0.03 -0.30 -0.28 0.00 0.21 0.00 0.00 52.86 52.46 2x4p s ASN 83 Cb -0.15 -0.94 0.09 0.00 -0.55 0.00 0.00 41.25 39.71 2x4p s ASN 83 CO 0.00 0.21 0.79 -2.28 -2.79 0.00 0.00 177.10 173.04 2x4p s HIS 84 N -1.16 -0.46 0.55 0.43 5.65 -1.26 -2.08 115.29 116.95 2x4p s HIS 84 Ca 0.21 0.48 0.26 0.00 0.25 0.00 0.00 55.06 56.26 2x4p s HIS 84 Cb -0.11 0.51 1.63 0.00 -1.18 0.00 0.00 32.58 33.42 2x4p s HIS 84 CO 0.12 -0.60 2.20 -0.24 -0.65 0.00 0.00 174.74 175.57 2x4p h VAL 85 N 2.28 0.65 0.00 0.89 3.04 -1.95 0.32 116.25 121.48 2x4p h VAL 85 Ca -0.25 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.32 2x4p h VAL 85 Cb 1.23 1.07 0.00 0.00 -2.01 0.00 0.00 31.29 31.58 2x4p h VAL 85 CO 0.34 0.03 0.00 0.35 -1.01 0.00 0.00 177.57 177.28 2x4p n THR 86 N -3.96 0.39 -3.70 3.17 -2.24 -1.26 -4.69 114.28 101.97 2x4p n THR 86 Ca -0.03 -0.12 -0.37 0.00 -2.27 0.00 0.00 64.05 61.26 2x4p n THR 86 Cb 0.12 -0.60 -0.11 0.00 -2.10 0.00 0.00 70.33 67.63 2x4p n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2x4p s LEU 87 N -3.86 3.78 0.04 3.22 1.43 0.11 -4.99 118.68 118.42 2x4p s LEU 87 Ca 0.12 -0.07 -0.24 0.00 -1.03 0.00 0.00 54.13 52.90 2x4p s LEU 87 Cb 0.15 -2.03 -0.17 0.00 0.03 0.00 0.00 46.19 44.17 2x4p s LEU 87 CO 0.55 -0.01 1.55 0.77 0.23 0.00 0.00 176.35 179.43 2x4p h SER 88 N 8.08 -0.01 -2.40 2.29 4.64 -1.84 -3.41 113.55 120.91 2x4p h SER 88 Ca -0.37 -0.19 -0.61 0.00 -0.47 0.00 0.00 61.79 60.15 2x4p h SER 88 Cb 1.18 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.13 2x4p h SER 88 CO 0.58 0.19 -0.75 0.00 -0.87 0.00 0.00 176.83 175.98 2x4p s GLN 89 N -5.41 1.75 0.15 4.77 -2.07 -1.26 -5.07 119.66 112.53 2x4p s GLN 89 Ca -0.14 -1.66 -0.32 0.00 -1.82 0.00 0.00 55.36 51.41 2x4p s GLN 89 Cb 0.04 -1.85 -0.12 0.00 -1.09 0.00 0.00 33.01 29.99 2x4p s GLN 89 CO 0.66 0.35 1.73 -2.30 -1.32 0.00 0.00 175.29 174.42 2x4p n PRO 90 N -0.49 2.58 -3.17 9.60 -0.02 -1.26 -4.88 135.00 137.36 2x4p n PRO 90 Ca -0.07 0.93 -0.38 0.00 -2.02 0.00 0.00 63.50 61.97 2x4p n PRO 90 Cb 0.59 -2.78 -0.06 0.00 -0.02 0.00 0.00 33.50 31.23 2x4p n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2x4p s LYS 91 N 1.78 4.27 -0.07 -0.52 2.20 0.21 -4.88 119.74 122.74 2x4p s LYS 91 Ca 0.79 0.84 0.04 0.00 -0.36 0.00 0.00 55.97 57.28 2x4p s LYS 91 Cb -0.56 -3.10 0.00 0.00 -1.51 0.00 0.00 37.83 32.67 2x4p s LYS 91 CO 0.37 0.53 -0.19 0.42 -0.36 0.00 0.00 175.35 176.12 2x4p s ILE 92 N -1.29 1.64 -0.19 5.43 1.01 -1.26 -0.29 121.20 126.24 2x4p s ILE 92 Ca 0.36 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 60.22 2x4p s ILE 92 Cb -0.19 -1.42 0.04 0.00 0.01 0.00 0.00 42.46 40.90 2x4p s ILE 92 CO 0.21 0.47 -0.09 -0.69 0.00 0.00 0.00 174.94 174.84 2x4p s VAL 93 N 0.29 1.50 0.79 2.92 1.01 -0.20 -4.98 120.40 121.73 2x4p s VAL 93 Ca -0.12 -0.91 -0.11 0.00 0.00 0.00 0.00 61.98 60.84 2x4p s VAL 93 Cb -0.15 -1.60 0.07 0.00 0.00 0.00 0.00 36.38 34.70 2x4p s VAL 93 CO 0.05 0.16 1.11 -0.54 0.00 0.00 0.00 175.10 175.88 2x4p s LYS 94 N 1.46 2.00 -0.33 2.72 1.02 -1.26 -0.88 119.74 124.47 2x4p s LYS 94 Ca -0.01 1.32 -0.20 0.00 0.02 0.00 0.00 55.97 57.11 2x4p s LYS 94 Cb -0.16 -1.86 -0.00 0.00 -0.52 0.00 0.00 37.83 35.29 2x4p s LYS 94 CO -0.08 -1.86 0.60 -0.46 -0.92 0.00 0.00 175.35 172.63 2x4p s TRP 95 N -2.73 3.18 -0.29 3.18 -0.00 0.75 -4.79 118.94 118.24 2x4p s TRP 95 Ca 0.64 0.39 -0.09 0.00 -0.00 0.00 0.00 56.10 57.04 2x4p s TRP 95 Cb -0.20 -3.02 -0.01 0.00 -0.00 0.00 0.00 33.47 30.24 2x4p s TRP 95 CO 0.54 -0.54 0.13 0.34 -0.00 0.00 0.00 176.95 177.43 2x4p s ASP 96 N 1.73 5.46 0.41 5.86 2.15 -1.26 -4.76 116.67 126.25 2x4p s ASP 96 Ca 0.23 -0.42 0.22 0.00 0.43 0.00 0.00 52.55 53.01 2x4p s ASP 96 Cb -0.15 -1.98 0.50 0.00 -0.30 0.00 0.00 42.92 40.99 2x4p s ASP 96 CO 0.13 -0.15 1.65 0.08 -0.17 0.00 0.00 175.17 176.72 2x4p h ARG 97 N 8.32 0.00 -2.13 4.34 0.11 -1.96 -3.43 114.38 119.62 2x4p h ARG 97 Ca -0.34 0.00 -0.23 0.00 0.10 0.00 0.00 59.98 59.51 2x4p h ARG 97 Cb 1.15 0.00 -0.32 0.00 1.11 0.00 0.00 29.97 31.91 2x4p h ARG 97 CO 0.60 0.20 -0.55 0.16 0.10 0.00 0.00 179.97 180.48 2x4p s ASP 98 N -6.22 0.80 0.00 0.08 -4.77 -1.26 -4.93 116.67 100.36 2x4p s ASP 98 Ca 0.04 -0.06 0.00 0.00 -3.30 0.00 0.00 52.55 49.23 2x4p s ASP 98 Cb 0.07 0.79 0.00 0.00 -1.09 0.00 0.00 42.92 42.70 2x4p s ASP 98 CO 0.67 -0.32 0.00 0.23 0.70 0.00 0.00 175.17 176.45