#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x4t s GLN 2 N 0.00 0.57 0.05 0.38 -0.21 -1.26 -4.53 119.66 114.66 2x4t s GLN 2 Ca 0.00 1.08 0.03 0.00 0.02 0.00 0.00 55.36 56.49 2x4t s GLN 2 Cb 0.00 0.61 -0.04 0.00 1.00 0.00 0.00 33.01 34.58 2x4t s GLN 2 CO 0.00 -0.54 0.02 1.03 -2.12 0.00 0.00 175.29 173.68 2x4t s ARG 3 N 2.87 2.72 -0.06 2.91 0.52 -0.49 -4.90 118.95 122.53 2x4t s ARG 3 Ca 0.16 -0.72 -0.17 0.00 -0.52 0.00 0.00 55.73 54.49 2x4t s ARG 3 Cb -0.14 -2.64 -0.05 0.00 0.52 0.00 0.00 34.95 32.64 2x4t s ARG 3 CO -0.21 0.58 0.45 0.99 0.02 0.00 0.00 175.30 177.13 2x4t s THR 4 N -1.25 5.09 0.24 0.02 2.01 -1.26 -2.74 115.64 117.74 2x4t s THR 4 Ca 0.25 0.92 -0.30 0.00 0.31 0.00 0.00 61.69 62.87 2x4t s THR 4 Cb -0.12 -3.78 -0.10 0.00 0.01 0.00 0.00 72.50 68.51 2x4t s THR 4 CO 0.16 0.45 1.45 -2.84 -0.69 0.00 0.00 174.62 173.15 2x4t s PRO 5 N -0.19 4.26 0.10 4.92 0.02 -1.26 -4.37 135.00 138.49 2x4t s PRO 5 Ca 0.25 2.30 -0.19 0.00 0.02 0.00 0.00 61.00 63.38 2x4t s PRO 5 Cb -0.16 -3.12 -0.07 0.00 0.02 0.00 0.00 34.50 31.17 2x4t s PRO 5 CO 0.12 -0.44 0.59 0.15 -0.33 0.00 0.00 177.00 177.09 2x4t s LYS 6 N -0.19 4.19 -0.08 5.54 1.02 0.16 -4.90 119.74 125.48 2x4t s LYS 6 Ca 0.60 0.73 0.01 0.00 0.02 0.00 0.00 55.97 57.34 2x4t s LYS 6 Cb -0.42 -3.16 0.02 0.00 -0.52 0.00 0.00 37.83 33.75 2x4t s LYS 6 CO 0.42 0.59 -0.09 0.42 -0.92 0.00 0.00 175.35 175.77 2x4t s ILE 7 N -1.21 0.96 -0.09 2.17 1.01 -1.26 -1.49 121.20 121.29 2x4t s ILE 7 Ca 0.32 -0.33 0.03 0.00 0.00 0.00 0.00 60.65 60.67 2x4t s ILE 7 Cb -0.19 -0.93 0.01 0.00 0.01 0.00 0.00 42.46 41.36 2x4t s ILE 7 CO 0.20 0.33 -0.19 -1.10 0.00 0.00 0.00 174.94 174.18 2x4t s GLN 8 N 1.08 2.46 -0.21 2.79 -0.21 -0.85 -5.00 119.66 119.72 2x4t s GLN 8 Ca -0.07 -0.67 -0.01 0.00 0.02 0.00 0.00 55.36 54.62 2x4t s GLN 8 Cb -0.14 -1.93 0.01 0.00 1.00 0.00 0.00 33.01 31.94 2x4t s GLN 8 CO -0.01 0.09 -0.11 0.08 -2.12 0.00 0.00 175.29 173.22 2x4t s VAL 9 N 0.55 2.74 0.28 1.09 1.01 -1.26 -1.28 120.40 123.54 2x4t s VAL 9 Ca -0.16 -0.78 -0.17 0.00 0.00 0.00 0.00 61.98 60.87 2x4t s VAL 9 Cb -0.17 -2.25 0.02 0.00 0.00 0.00 0.00 36.38 33.98 2x4t s VAL 9 CO 0.05 0.42 0.65 -0.72 0.00 0.00 0.00 175.10 175.51 2x4t s TYR 10 N 1.37 0.05 0.12 5.22 -0.85 -0.92 -4.44 117.35 117.90 2x4t s TYR 10 Ca 0.04 -0.50 0.04 0.00 -0.52 0.00 0.00 57.07 56.14 2x4t s TYR 10 Cb -0.14 0.54 -0.04 0.00 0.38 0.00 0.00 41.96 42.70 2x4t s TYR 10 CO -0.07 -1.20 0.09 -1.54 -1.52 0.00 0.00 175.55 171.30 2x4t s SER 11 N -2.98 5.42 0.10 -0.18 1.04 -1.26 0.28 113.70 116.13 2x4t s SER 11 Ca 0.16 -0.10 -0.18 0.00 0.48 0.00 0.00 55.95 56.31 2x4t s SER 11 Cb -0.04 -1.40 -0.06 0.00 0.10 0.00 0.00 66.02 64.62 2x4t s SER 11 CO 0.09 0.13 1.61 -0.09 0.98 0.00 0.00 173.24 175.96 2x4t h ARG 12 N 2.94 0.44 -6.07 4.02 2.43 -1.77 -3.44 114.38 112.93 2x4t h ARG 12 Ca -0.47 -0.10 -0.54 0.00 -0.81 0.00 0.00 59.98 58.06 2x4t h ARG 12 Cb 1.18 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 30.59 2x4t h ARG 12 CO 0.64 0.51 -0.52 -1.01 -1.51 0.00 0.00 179.97 178.08 2x4t s HIS 13 N -5.37 2.69 0.27 2.20 3.76 -1.26 -5.06 115.29 112.51 2x4t s HIS 13 Ca -0.13 -0.42 -0.30 0.00 -0.15 0.00 0.00 55.06 54.05 2x4t s HIS 13 Cb 0.08 -1.74 -0.13 0.00 1.11 0.00 0.00 32.58 31.91 2x4t s HIS 13 CO 0.73 0.28 1.40 -2.30 -0.85 0.00 0.00 174.74 174.00 2x4t n PRO 14 N -1.19 2.13 -2.35 8.40 -0.02 -1.26 -4.87 135.00 135.84 2x4t n PRO 14 Ca -0.02 0.75 -0.43 0.00 -2.02 0.00 0.00 63.50 61.79 2x4t n PRO 14 Cb 0.62 -2.41 -0.02 0.00 -0.02 0.00 0.00 33.50 31.67 2x4t n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2x4t s ALA 15 N -0.27 3.60 -0.24 3.55 0.00 -1.26 -4.98 121.76 122.15 2x4t s ALA 15 Ca 0.65 0.49 0.01 0.00 0.00 0.00 0.00 51.96 53.11 2x4t s ALA 15 Cb -0.61 -3.67 0.06 0.00 0.00 0.00 0.00 23.12 18.90 2x4t s ALA 15 CO 0.52 -1.32 -0.07 -1.21 0.00 0.00 0.00 175.76 173.69 2x4t s GLU 16 N 3.72 1.79 0.17 0.00 2.02 -1.26 -5.02 118.70 120.12 2x4t s GLU 16 Ca 0.58 -1.11 -0.32 0.00 0.02 0.00 0.00 54.97 54.14 2x4t s GLU 16 Cb -0.23 -2.68 -0.16 0.00 0.10 0.00 0.00 34.13 31.16 2x4t s GLU 16 CO 0.18 -0.60 1.09 0.09 0.02 0.00 0.00 175.26 176.04 2x4t n ASN 17 N 4.60 1.02 0.00 -0.19 3.02 -1.26 -0.87 115.26 121.57 2x4t n ASN 17 Ca -0.12 1.15 0.00 0.00 -0.03 0.00 0.00 54.58 55.57 2x4t n ASN 17 Cb 0.43 -1.18 0.00 0.00 -0.61 0.00 0.00 39.78 38.43 2x4t n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2x4t n GLY 18 N 1.90 3.11 3.84 7.41 0.00 0.15 -4.98 105.19 116.62 2x4t n GLY 18 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 2x4t n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x4t s LYS 19 N -0.23 3.74 0.52 1.61 1.02 -0.05 -4.92 119.74 121.43 2x4t s LYS 19 Ca 0.00 0.04 -0.19 0.00 0.02 0.00 0.00 55.97 55.85 2x4t s LYS 19 Cb 0.00 -3.25 -0.07 0.00 -0.52 0.00 0.00 37.83 33.99 2x4t s LYS 19 CO 0.00 0.65 1.05 -1.54 -0.92 0.00 0.00 175.35 174.59 2x4t s SER 20 N -0.74 6.12 0.18 2.83 1.04 -1.26 -3.92 113.70 117.96 2x4t s SER 20 Ca 0.17 1.92 -0.05 0.00 0.48 0.00 0.00 55.95 58.48 2x4t s SER 20 Cb -0.13 -2.55 0.02 0.00 0.10 0.00 0.00 66.02 63.45 2x4t s SER 20 CO 0.06 -0.94 0.32 -3.20 0.98 0.00 0.00 173.24 170.47 2x4t n ASN 21 N -1.30 -0.92 -4.12 7.02 2.85 0.49 -4.96 115.26 114.31 2x4t n ASN 21 Ca 0.09 -1.82 -0.28 0.00 -0.11 0.00 0.00 54.58 52.47 2x4t n ASN 21 Cb 0.52 1.59 -0.17 0.00 1.24 0.00 0.00 39.78 42.97 2x4t n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2x4t s PHE 22 N -5.08 1.94 -0.15 1.20 0.08 -1.26 0.48 117.98 115.18 2x4t s PHE 22 Ca 0.10 -0.72 -0.17 0.00 0.12 0.00 0.00 56.93 56.26 2x4t s PHE 22 Cb -0.02 -1.33 -0.04 0.00 -0.57 0.00 0.00 43.02 41.06 2x4t s PHE 22 CO 0.07 -0.30 0.46 -1.17 -0.10 0.00 0.00 175.22 174.18 2x4t s LEU 23 N 0.39 4.22 -0.03 -0.37 2.96 0.66 -1.95 118.68 124.56 2x4t s LEU 23 Ca -0.14 0.71 0.01 0.00 -0.22 0.00 0.00 54.13 54.49 2x4t s LEU 23 Cb -0.16 -2.64 -0.03 0.00 0.50 0.00 0.00 46.19 43.86 2x4t s LEU 23 CO 0.05 -0.04 -0.03 0.20 -1.32 0.00 0.00 176.35 175.21 2x4t s ASN 24 N 0.79 4.92 -0.29 3.68 0.01 0.14 -1.87 114.94 122.33 2x4t s ASN 24 Ca 0.24 -0.01 -0.02 0.00 -0.71 0.00 0.00 52.86 52.35 2x4t s ASN 24 Cb -0.15 -1.27 0.10 0.00 0.41 0.00 0.00 41.25 40.34 2x4t s ASN 24 CO 0.09 0.32 0.10 0.00 -1.51 0.00 0.00 177.10 176.10 2x4t s TYR 26 N 1.82 3.23 -0.16 0.00 5.04 -0.40 -0.79 117.35 126.09 2x4t s TYR 26 Ca 0.08 -0.72 -0.07 0.00 -2.44 0.00 0.00 57.07 53.92 2x4t s TYR 26 Cb -0.17 -2.91 -0.04 0.00 0.35 0.00 0.00 41.96 39.19 2x4t s TYR 26 CO -0.27 -0.71 0.09 0.14 -1.34 0.00 0.00 175.55 173.46 2x4t s VAL 27 N 1.74 5.10 0.16 3.14 -7.23 -0.54 -2.00 120.40 120.76 2x4t s VAL 27 Ca 0.06 0.07 -0.12 0.00 -1.81 0.00 0.00 61.98 60.17 2x4t s VAL 27 Cb -0.21 -3.27 0.01 0.00 0.56 0.00 0.00 36.38 33.47 2x4t s VAL 27 CO 0.09 0.52 0.34 -0.94 -0.31 0.00 0.00 175.10 174.80 2x4t s SER 28 N -0.18 -0.06 -0.71 4.85 1.04 -0.55 0.07 113.70 118.16 2x4t s SER 28 Ca 0.09 -0.67 0.00 0.00 0.48 0.00 0.00 55.95 55.84 2x4t s SER 28 Cb -0.12 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.46 2x4t s SER 28 CO 0.01 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 173.93 2x4t n GLY 29 N -0.23 0.85 3.91 7.32 0.00 -0.07 0.37 105.19 117.35 2x4t n GLY 29 Ca -0.10 -0.74 -0.21 0.00 0.00 0.00 0.00 46.02 44.97 2x4t n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2x4t s PHE 30 N -2.26 3.25 -0.28 1.61 -0.71 -1.15 -4.04 117.98 114.39 2x4t s PHE 30 Ca 0.00 -0.10 -0.18 0.00 -1.04 0.00 0.00 56.93 55.61 2x4t s PHE 30 Cb 0.00 -1.59 0.11 0.00 -1.21 0.00 0.00 43.02 40.33 2x4t s PHE 30 CO 0.00 0.38 0.86 -1.58 -1.34 0.00 0.00 175.22 173.55 2x4t s HIS 31 N -2.09 -0.76 0.00 3.49 2.46 -1.11 -0.55 115.29 116.74 2x4t s HIS 31 Ca 0.36 1.56 0.00 0.00 0.47 0.00 0.00 55.06 57.45 2x4t s HIS 31 Cb -0.08 0.45 0.00 0.00 -0.13 0.00 0.00 32.58 32.81 2x4t s HIS 31 CO 0.28 -0.37 0.00 -0.35 -2.47 0.00 0.00 174.74 171.82 2x4t n PRO 32 N 3.69 -0.29 0.14 2.88 -0.04 -1.26 -1.40 135.00 138.72 2x4t n PRO 32 Ca -0.18 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.39 2x4t n PRO 32 Cb 0.58 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.09 2x4t n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2x4t h SER 33 N -0.65 0.00 -2.19 3.54 4.64 -2.00 -3.45 113.55 113.44 2x4t h SER 33 Ca 0.00 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.74 2x4t h SER 33 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2x4t h SER 33 CO 0.00 0.02 1.40 -1.81 -0.87 0.00 0.00 176.83 175.57 2x4t s ASP 34 N -5.68 5.73 0.02 4.97 1.01 -1.26 -4.95 116.67 116.52 2x4t s ASP 34 Ca 0.02 1.93 -0.04 0.00 0.71 0.00 0.00 52.55 55.18 2x4t s ASP 34 Cb 0.08 -2.52 -0.01 0.00 1.01 0.00 0.00 42.92 41.48 2x4t s ASP 34 CO 0.75 -1.73 0.05 -0.51 0.21 0.00 0.00 175.17 173.93 2x4t s ILE 35 N 7.29 0.12 -0.25 0.77 2.07 -1.26 -4.68 121.20 125.26 2x4t s ILE 35 Ca 0.94 -1.01 0.01 0.00 -1.41 0.00 0.00 60.65 59.19 2x4t s ILE 35 Cb -0.33 -0.63 0.07 0.00 0.13 0.00 0.00 42.46 41.70 2x4t s ILE 35 CO 0.36 -0.56 -0.04 -1.61 -1.91 0.00 0.00 174.94 171.18 2x4t s GLU 36 N -2.05 1.65 -0.13 3.50 2.02 -0.70 -5.01 118.70 117.99 2x4t s GLU 36 Ca -0.10 -1.15 0.01 0.00 0.02 0.00 0.00 54.97 53.75 2x4t s GLU 36 Cb -0.05 -2.67 -0.01 0.00 0.10 0.00 0.00 34.13 31.51 2x4t s GLU 36 CO -0.02 -0.65 -0.16 0.08 0.02 0.00 0.00 175.26 174.52 2x4t s VAL 37 N 1.31 2.68 0.17 2.63 1.01 -1.26 -1.09 120.40 125.85 2x4t s VAL 37 Ca -0.04 -0.78 0.11 0.00 0.00 0.00 0.00 61.98 61.27 2x4t s VAL 37 Cb -0.19 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 2x4t s VAL 37 CO -0.07 0.53 -0.24 -1.81 0.00 0.00 0.00 175.10 173.51 2x4t s ASP 38 N 0.55 3.24 -0.08 3.32 1.01 0.18 -4.98 116.67 119.91 2x4t s ASP 38 Ca -0.10 -0.82 0.01 0.00 0.71 0.00 0.00 52.55 52.34 2x4t s ASP 38 Cb -0.16 -0.23 -0.03 0.00 1.01 0.00 0.00 42.92 43.52 2x4t s ASP 38 CO 0.04 0.11 -0.08 -0.76 0.21 0.00 0.00 175.17 174.69 2x4t s LEU 39 N -2.46 3.09 0.06 1.23 1.43 -1.26 -0.79 118.68 119.97 2x4t s LEU 39 Ca 0.17 -0.08 0.06 0.00 -1.03 0.00 0.00 54.13 53.26 2x4t s LEU 39 Cb -0.08 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.43 2x4t s LEU 39 CO 0.08 0.33 -0.12 -0.76 0.23 0.00 0.00 176.35 176.10 2x4t s LEU 40 N -0.60 2.91 -0.33 1.79 1.43 0.18 -1.10 118.68 122.95 2x4t s LEU 40 Ca 0.09 -0.36 0.04 0.00 -1.03 0.00 0.00 54.13 52.86 2x4t s LEU 40 Cb -0.12 -1.71 0.10 0.00 0.03 0.00 0.00 46.19 44.49 2x4t s LEU 40 CO 0.02 0.22 0.04 -0.75 0.23 0.00 0.00 176.35 176.11 2x4t s LYS 41 N -1.81 1.48 -0.93 1.70 2.20 0.18 -1.79 119.74 120.77 2x4t s LYS 41 Ca 0.18 -1.78 -0.02 0.00 -0.36 0.00 0.00 55.97 54.00 2x4t s LYS 41 Cb -0.11 -3.09 0.00 0.00 -1.51 0.00 0.00 37.83 33.12 2x4t s LYS 41 CO 0.10 -0.91 0.23 0.09 -0.36 0.00 0.00 175.35 174.49 2x4t n ASN 42 N 4.31 -4.02 -0.66 1.43 4.13 0.46 -3.29 115.26 117.62 2x4t n ASN 42 Ca 0.02 -0.11 -0.03 0.00 1.68 0.00 0.00 54.58 56.14 2x4t n ASN 42 Cb 0.42 -3.02 0.01 0.00 -1.54 0.00 0.00 39.78 35.65 2x4t n ASN 42 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2x4t n GLY 43 N -1.13 0.50 2.94 7.41 0.00 -1.26 -5.03 105.19 108.63 2x4t n GLY 43 Ca -0.09 -0.65 -0.10 0.00 0.00 0.00 0.00 46.02 45.18 2x4t n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2x4t s GLU 44 N -4.69 0.20 0.24 1.61 2.02 -1.21 -5.08 118.70 111.79 2x4t s GLU 44 Ca 0.04 -0.38 -0.30 0.00 0.02 0.00 0.00 54.97 54.36 2x4t s GLU 44 Cb -0.02 0.07 -0.09 0.00 0.10 0.00 0.00 34.13 34.19 2x4t s GLU 44 CO 0.06 -0.03 1.21 0.50 0.02 0.00 0.00 175.26 177.01 2x4t s ARG 45 N -0.92 4.49 -0.04 1.61 3.52 -1.26 -0.65 118.95 125.71 2x4t s ARG 45 Ca -0.10 1.95 -0.20 0.00 -0.13 0.00 0.00 55.73 57.25 2x4t s ARG 45 Cb -0.06 -3.19 -0.05 0.00 -1.56 0.00 0.00 34.95 30.09 2x4t s ARG 45 CO -0.01 -0.05 0.56 0.42 -0.81 0.00 0.00 175.30 175.41 2x4t s ILE 46 N -0.54 5.00 -0.11 4.11 1.01 -0.26 -4.85 121.20 125.56 2x4t s ILE 46 Ca 0.50 1.16 -0.06 0.00 0.00 0.00 0.00 60.65 62.25 2x4t s ILE 46 Cb -0.34 -3.89 -0.27 0.00 0.01 0.00 0.00 42.46 37.97 2x4t s ILE 46 CO 0.41 0.40 0.42 -0.08 0.00 0.00 0.00 174.94 176.09 2x4t h GLU 47 N 5.90 0.26 -2.42 2.79 4.81 -1.95 -3.39 114.58 120.58 2x4t h GLU 47 Ca -0.44 -0.45 -0.68 0.00 -0.13 0.00 0.00 59.36 57.65 2x4t h GLU 47 Cb 1.20 0.17 -0.15 0.00 0.63 0.00 0.00 28.75 30.60 2x4t h GLU 47 CO 0.71 1.18 1.78 1.63 -0.73 0.00 0.00 179.01 183.58 2x4t n LYS 48 N -3.47 4.06 -3.99 1.92 5.02 -1.26 -4.91 118.16 115.53 2x4t n LYS 48 Ca -0.30 -3.25 -0.36 0.00 -2.02 0.00 0.00 58.31 52.37 2x4t n LYS 48 Cb 1.05 -2.49 -0.07 0.00 -0.02 0.00 0.00 35.03 33.50 2x4t n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2x4t s VAL 49 N -1.71 5.23 0.44 -0.18 1.01 -1.26 -4.67 120.40 119.26 2x4t s VAL 49 Ca 0.54 0.10 0.06 0.00 0.00 0.00 0.00 61.98 62.69 2x4t s VAL 49 Cb 0.24 -3.27 -0.06 0.00 0.00 0.00 0.00 36.38 33.29 2x4t s VAL 49 CO -0.14 0.61 0.04 -1.61 0.00 0.00 0.00 175.10 174.01 2x4t s GLU 50 N -0.92 2.06 -0.01 2.72 2.02 -0.55 -4.96 118.70 119.05 2x4t s GLU 50 Ca 0.14 -2.13 -0.12 0.00 0.02 0.00 0.00 54.97 52.88 2x4t s GLU 50 Cb -0.12 -1.68 0.02 0.00 0.10 0.00 0.00 34.13 32.45 2x4t s GLU 50 CO 0.03 -0.14 0.25 -3.38 0.02 0.00 0.00 175.26 172.04 2x4t s HIS 51 N -2.73 -0.12 1.28 1.61 -3.43 -1.26 -0.92 115.29 109.73 2x4t s HIS 51 Ca 0.30 0.17 -0.18 0.00 -0.80 0.00 0.00 55.06 54.54 2x4t s HIS 51 Cb 0.07 0.05 0.32 0.00 -1.43 0.00 0.00 32.58 31.59 2x4t s HIS 51 CO 0.16 -0.34 1.00 -1.54 -2.00 0.00 0.00 174.74 172.01 2x4t s SER 52 N -1.25 0.08 0.12 7.38 1.04 -0.01 -4.97 113.70 116.09 2x4t s SER 52 Ca -0.13 1.05 -0.24 0.00 0.48 0.00 0.00 55.95 57.11 2x4t s SER 52 Cb -0.06 -1.56 -0.07 0.00 0.10 0.00 0.00 66.02 64.43 2x4t s SER 52 CO 0.03 -4.69 0.72 -1.81 0.98 0.00 0.00 173.24 168.47 2x4t s ASP 53 N -3.07 7.27 -0.04 7.02 1.01 -1.26 -4.76 116.67 122.84 2x4t s ASP 53 Ca 0.69 1.51 -0.33 0.00 0.71 0.00 0.00 52.55 55.13 2x4t s ASP 53 Cb -0.17 -2.46 -0.11 0.00 1.01 0.00 0.00 42.92 41.20 2x4t s ASP 53 CO 0.60 0.19 1.93 -0.11 0.21 0.00 0.00 175.17 177.98 2x4t n LEU 54 N 1.86 3.73 0.00 1.23 7.94 -1.26 -4.95 117.00 125.56 2x4t n LEU 54 Ca -0.06 0.94 -0.18 0.00 -1.11 0.00 0.00 56.01 55.59 2x4t n LEU 54 Cb 0.49 -1.43 -0.05 0.00 0.53 0.00 0.00 43.42 42.96 2x4t n LEU 54 CO 0.45 0.04 -0.12 -0.24 -1.11 0.00 0.00 177.39 176.42 2x4t n SER 55 N 7.07 1.14 -3.72 1.96 2.88 -1.24 -5.05 113.62 116.66 2x4t n SER 55 Ca 0.22 -2.59 -0.10 0.00 -1.33 0.00 0.00 58.87 55.07 2x4t n SER 55 Cb 0.34 0.76 -0.04 0.00 -0.75 0.00 0.00 64.21 64.52 2x4t n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2x4t s PHE 56 N -2.67 -0.11 0.00 0.66 -0.12 -1.26 -2.26 117.98 112.23 2x4t s PHE 56 Ca 0.15 -0.22 0.00 0.00 -0.05 0.00 0.00 56.93 56.81 2x4t s PHE 56 Cb 0.01 0.33 0.00 0.00 -0.63 0.00 0.00 43.02 42.73 2x4t s PHE 56 CO 0.11 -0.85 0.00 0.43 -0.05 0.00 0.00 175.22 174.86 2x4t n SER 57 N -0.31 0.00 0.11 1.98 7.64 -0.18 -4.93 113.62 117.94 2x4t n SER 57 Ca -0.11 -0.15 -0.04 0.00 1.01 0.00 0.00 58.87 59.58 2x4t n SER 57 Cb 0.63 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.93 2x4t n SER 57 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2x4t h LYS 58 N 0.00 0.07 -0.42 1.43 3.64 -2.03 -3.05 116.57 116.21 2x4t h LYS 58 Ca 0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2x4t h LYS 58 Cb 0.00 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2x4t h LYS 58 CO 0.00 0.74 0.00 -0.40 -2.27 0.00 0.00 179.45 177.52 2x4t n ASP 59 N -3.73 1.97 0.00 4.20 5.75 -1.26 -4.92 116.55 118.56 2x4t n ASP 59 Ca -0.02 -2.08 0.00 0.00 -0.01 0.00 0.00 54.79 52.68 2x4t n ASP 59 Cb 0.69 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 2x4t n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2x4t n TRP 60 N 0.39 0.00 -2.19 2.11 7.02 -1.15 -5.02 117.44 118.59 2x4t n TRP 60 Ca 0.11 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.25 2x4t n TRP 60 Cb 0.35 -0.20 0.00 0.00 -2.42 0.00 0.00 31.31 29.04 2x4t n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2x4t s SER 61 N -3.16 5.83 0.29 -0.99 1.04 -1.26 -4.64 113.70 110.80 2x4t s SER 61 Ca 0.00 1.96 -0.05 0.00 0.48 0.00 0.00 55.95 58.34 2x4t s SER 61 Cb 0.00 -2.55 -0.05 0.00 0.10 0.00 0.00 66.02 63.51 2x4t s SER 61 CO 0.00 -1.14 0.55 -0.36 0.98 0.00 0.00 173.24 173.28 2x4t s PHE 62 N -2.14 3.48 0.02 5.02 0.08 0.28 -1.01 117.98 123.71 2x4t s PHE 62 Ca 0.67 0.65 -0.00 0.00 0.12 0.00 0.00 56.93 58.37 2x4t s PHE 62 Cb -0.19 -2.11 -0.02 0.00 -0.57 0.00 0.00 43.02 40.14 2x4t s PHE 62 CO 0.30 0.17 -0.02 1.52 -0.10 0.00 0.00 175.22 177.09 2x4t s TYR 63 N -2.08 0.25 -0.09 0.36 -0.85 -0.96 -0.89 117.35 113.09 2x4t s TYR 63 Ca 0.44 -0.50 -0.13 0.00 -0.52 0.00 0.00 57.07 56.36 2x4t s TYR 63 Cb -0.11 -0.18 0.03 0.00 0.38 0.00 0.00 41.96 42.08 2x4t s TYR 63 CO 0.30 -0.19 0.33 -0.51 -1.52 0.00 0.00 175.55 173.96 2x4t s LEU 64 N -1.43 0.75 -0.17 -3.49 1.43 0.11 -3.62 118.68 112.26 2x4t s LEU 64 Ca -0.16 0.49 -0.05 0.00 -1.03 0.00 0.00 54.13 53.38 2x4t s LEU 64 Cb -0.10 1.20 -0.03 0.00 0.03 0.00 0.00 46.19 47.28 2x4t s LEU 64 CO -0.01 -0.22 0.01 -0.22 0.23 0.00 0.00 176.35 176.14 2x4t s LEU 65 N -0.31 3.51 -0.07 1.79 2.96 -1.26 -1.46 118.68 123.83 2x4t s LEU 65 Ca -0.04 -0.03 -0.01 0.00 -0.22 0.00 0.00 54.13 53.83 2x4t s LEU 65 Cb -0.03 -1.87 -0.03 0.00 0.50 0.00 0.00 46.19 44.76 2x4t s LEU 65 CO 0.02 0.17 -0.03 -0.31 -1.32 0.00 0.00 176.35 174.88 2x4t s TYR 66 N 0.37 3.06 0.04 5.38 2.02 0.03 -0.83 117.35 127.42 2x4t s TYR 66 Ca -0.01 0.12 -0.12 0.00 -0.37 0.00 0.00 57.07 56.69 2x4t s TYR 66 Cb -0.13 -1.75 0.01 0.00 -0.40 0.00 0.00 41.96 39.69 2x4t s TYR 66 CO 0.02 0.41 0.26 1.52 -1.57 0.00 0.00 175.55 176.19 2x4t s TYR 67 N -0.86 -0.04 -0.18 2.71 -0.85 -0.09 -0.42 117.35 117.62 2x4t s TYR 67 Ca 0.13 -0.13 -0.21 0.00 -0.52 0.00 0.00 57.07 56.34 2x4t s TYR 67 Cb -0.11 0.05 0.06 0.00 0.38 0.00 0.00 41.96 42.33 2x4t s TYR 67 CO 0.02 -0.47 0.57 -0.08 -1.52 0.00 0.00 175.55 174.07 2x4t s THR 68 N -2.55 0.00 0.36 -3.49 -1.32 -0.78 -1.48 115.64 106.38 2x4t s THR 68 Ca -0.05 -0.04 -0.28 0.00 -1.21 0.00 0.00 61.69 60.11 2x4t s THR 68 Cb -0.01 -0.81 -0.11 0.00 -1.51 0.00 0.00 72.50 70.06 2x4t s THR 68 CO -0.04 -0.02 1.44 -0.70 -2.21 0.00 0.00 174.62 173.10 2x4t s GLU 69 N -0.01 4.17 0.11 7.08 2.12 -1.26 -0.25 118.70 130.67 2x4t s GLU 69 Ca -0.02 2.48 -0.26 0.00 0.36 0.00 0.00 54.97 57.53 2x4t s GLU 69 Cb -0.04 -3.00 0.07 0.00 0.26 0.00 0.00 34.13 31.43 2x4t s GLU 69 CO 0.02 -0.45 0.90 -0.59 -0.54 0.00 0.00 175.26 174.60 2x4t s PHE 70 N -1.08 -0.24 -0.11 5.30 -0.00 0.18 -4.82 117.98 117.21 2x4t s PHE 70 Ca 0.52 -0.02 -0.00 0.00 -0.00 0.00 0.00 56.93 57.43 2x4t s PHE 70 Cb -0.45 0.60 0.02 0.00 -0.00 0.00 0.00 43.02 43.20 2x4t s PHE 70 CO 0.60 -0.76 -0.07 0.99 -0.00 0.00 0.00 175.22 175.98 2x4t s THR 71 N -3.30 0.99 0.35 -4.49 2.01 -1.26 0.18 115.64 110.12 2x4t s THR 71 Ca 0.09 -0.28 -0.28 0.00 0.31 0.00 0.00 61.69 61.53 2x4t s THR 71 Cb -0.01 -1.01 -0.10 0.00 0.01 0.00 0.00 72.50 71.38 2x4t s THR 71 CO -0.02 0.36 1.30 -2.84 -0.69 0.00 0.00 174.62 172.73 2x4t s PRO 72 N 1.64 4.27 0.28 4.92 0.02 -1.25 -4.83 135.00 140.04 2x4t s PRO 72 Ca 0.03 2.19 0.03 0.00 0.02 0.00 0.00 61.00 63.28 2x4t s PRO 72 Cb -0.13 -2.99 -0.06 0.00 0.02 0.00 0.00 34.50 31.34 2x4t s PRO 72 CO -0.07 -0.25 0.05 0.95 -0.33 0.00 0.00 177.00 177.34 2x4t s THR 73 N -1.17 0.98 0.15 0.99 -4.23 -1.26 0.32 115.64 111.41 2x4t s THR 73 Ca 0.51 -2.01 -0.16 0.00 -1.18 0.00 0.00 61.69 58.85 2x4t s THR 73 Cb -0.39 -2.61 0.02 0.00 1.34 0.00 0.00 72.50 70.86 2x4t s THR 73 CO 0.52 -0.11 1.78 -0.08 -0.54 0.00 0.00 174.62 176.19 2x4t h GLU 74 N 2.30 0.58 0.29 3.99 4.81 -1.98 -3.36 114.58 121.22 2x4t h GLU 74 Ca -0.39 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 58.77 2x4t h GLU 74 Cb 1.24 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.50 2x4t h GLU 74 CO 0.66 0.44 -0.14 0.87 -0.73 0.00 0.00 179.01 180.10 2x4t h LYS 75 N 0.57 -0.37 -6.35 1.92 1.57 -2.02 -3.46 116.57 108.42 2x4t h LYS 75 Ca 0.15 0.03 -0.62 0.00 -1.87 0.00 0.00 60.65 58.34 2x4t h LYS 75 Cb 0.01 0.08 0.03 0.00 0.08 0.00 0.00 32.23 32.44 2x4t h LYS 75 CO -0.03 -0.25 0.93 -0.25 -0.57 0.00 0.00 179.45 179.28 2x4t n ASP 76 N -3.44 3.10 -4.60 0.86 8.00 -1.26 -4.96 116.55 114.26 2x4t n ASP 76 Ca -0.05 1.03 -0.39 0.00 0.71 0.00 0.00 54.79 56.10 2x4t n ASP 76 Cb 0.15 -1.36 -0.10 0.00 -0.02 0.00 0.00 41.12 39.80 2x4t n ASP 76 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2x4t s GLU 77 N 2.63 3.97 0.05 -1.24 2.02 -1.26 -4.79 118.70 120.08 2x4t s GLU 77 Ca 0.88 -0.11 0.02 0.00 0.02 0.00 0.00 54.97 55.78 2x4t s GLU 77 Cb -0.74 -3.66 -0.04 0.00 0.10 0.00 0.00 34.13 29.79 2x4t s GLU 77 CO 0.48 -0.25 0.05 0.71 0.02 0.00 0.00 175.26 176.26 2x4t s TYR 78 N 1.96 3.14 0.32 1.61 2.02 -1.26 0.17 117.35 125.31 2x4t s TYR 78 Ca 0.12 0.08 -0.12 0.00 -0.37 0.00 0.00 57.07 56.78 2x4t s TYR 78 Cb -0.16 -1.64 0.02 0.00 -0.40 0.00 0.00 41.96 39.78 2x4t s TYR 78 CO 0.10 0.51 0.60 0.00 -1.57 0.00 0.00 175.55 175.19 2x4t s ALA 79 N -1.26 -0.26 -0.02 3.71 0.00 -0.74 -0.63 121.76 122.56 2x4t s ALA 79 Ca 0.25 -0.93 0.07 0.00 0.00 0.00 0.00 51.96 51.35 2x4t s ALA 79 Cb -0.12 0.95 -0.02 0.00 0.00 0.00 0.00 23.12 23.93 2x4t s ALA 79 CO 0.17 -0.90 -0.23 0.00 0.00 0.00 0.00 175.76 174.79 2x4t s ARG 81 N -0.57 1.98 -0.12 0.00 3.52 0.03 -1.06 118.95 122.74 2x4t s ARG 81 Ca 0.09 -0.46 0.02 0.00 -0.13 0.00 0.00 55.73 55.25 2x4t s ARG 81 Cb -0.09 -1.79 0.02 0.00 -1.56 0.00 0.00 34.95 31.52 2x4t s ARG 81 CO -0.01 -0.14 -0.16 0.08 -0.81 0.00 0.00 175.30 174.26 2x4t s VAL 82 N 1.25 1.56 -0.08 7.11 1.01 0.88 -0.65 120.40 131.47 2x4t s VAL 82 Ca -0.02 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.32 2x4t s VAL 82 Cb -0.14 -1.42 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 2x4t s VAL 82 CO -0.05 0.45 -0.19 0.21 0.00 0.00 0.00 175.10 175.53 2x4t s ASN 83 N 1.04 3.57 0.17 3.32 3.84 -0.25 -0.23 114.94 126.40 2x4t s ASN 83 Ca -0.05 -0.39 -0.08 0.00 0.21 0.00 0.00 52.86 52.55 2x4t s ASN 83 Cb -0.15 -1.13 -0.01 0.00 -0.55 0.00 0.00 41.25 39.41 2x4t s ASN 83 CO -0.03 0.24 0.26 -2.28 -2.79 0.00 0.00 177.10 172.49 2x4t s HIS 84 N -0.09 0.52 0.18 0.43 5.65 -1.26 -1.71 115.29 119.00 2x4t s HIS 84 Ca -0.04 -0.87 -0.10 0.00 0.25 0.00 0.00 55.06 54.30 2x4t s HIS 84 Cb -0.14 -0.13 0.07 0.00 -1.18 0.00 0.00 32.58 31.19 2x4t s HIS 84 CO 0.04 -0.71 1.66 -0.24 -0.65 0.00 0.00 174.74 174.84 2x4t h VAL 85 N 2.57 1.26 0.00 0.89 3.04 -1.94 -1.84 116.25 120.23 2x4t h VAL 85 Ca -0.32 -1.06 0.00 0.00 -1.01 0.00 0.00 66.70 64.31 2x4t h VAL 85 Cb 1.23 0.75 0.00 0.00 -2.01 0.00 0.00 31.29 31.26 2x4t h VAL 85 CO 0.49 0.39 0.00 0.35 -1.01 0.00 0.00 177.57 177.79 2x4t n THR 86 N -4.25 1.21 -3.45 3.17 -2.24 -1.26 -4.53 114.28 102.92 2x4t n THR 86 Ca 0.03 0.30 -0.40 0.00 -2.27 0.00 0.00 64.05 61.71 2x4t n THR 86 Cb 0.31 -1.12 -0.10 0.00 -2.10 0.00 0.00 70.33 67.32 2x4t n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2x4t s LEU 87 N -2.95 4.36 0.51 3.22 1.43 -0.69 -4.95 118.68 119.60 2x4t s LEU 87 Ca 0.06 -0.19 0.22 0.00 -1.03 0.00 0.00 54.13 53.18 2x4t s LEU 87 Cb 0.07 -2.28 1.30 0.00 0.03 0.00 0.00 46.19 45.31 2x4t s LEU 87 CO 0.19 -0.26 2.00 0.77 0.23 0.00 0.00 176.35 179.28 2x4t h SER 88 N 8.43 0.09 -4.97 2.29 4.64 -1.83 -3.43 113.55 118.78 2x4t h SER 88 Ca -0.31 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.94 2x4t h SER 88 Cb 1.15 -0.02 -0.19 0.00 -0.31 0.00 0.00 62.40 63.04 2x4t h SER 88 CO 0.66 0.05 0.10 0.00 -0.87 0.00 0.00 176.83 176.77 2x4t s GLN 89 N -5.11 0.98 -0.18 4.77 -2.07 -1.26 -5.12 119.66 111.66 2x4t s GLN 89 Ca -0.06 0.20 -0.42 0.00 -1.82 0.00 0.00 55.36 53.26 2x4t s GLN 89 Cb 0.20 0.46 -0.20 0.00 -1.09 0.00 0.00 33.01 32.38 2x4t s GLN 89 CO 0.73 -0.30 1.25 -2.30 -1.32 0.00 0.00 175.29 173.36 2x4t n PRO 90 N 1.03 0.00 -3.71 9.60 -0.02 -1.26 -4.92 135.00 135.72 2x4t n PRO 90 Ca -0.19 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 60.91 2x4t n PRO 90 Cb 0.57 -1.49 -0.06 0.00 -0.02 0.00 0.00 33.50 32.50 2x4t n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2x4t s LYS 91 N 1.08 3.67 -0.10 -0.52 2.20 0.68 -4.89 119.74 121.86 2x4t s LYS 91 Ca 0.95 0.10 0.03 0.00 -0.36 0.00 0.00 55.97 56.69 2x4t s LYS 91 Cb -1.34 -3.21 0.01 0.00 -1.51 0.00 0.00 37.83 31.77 2x4t s LYS 91 CO 0.66 0.72 -0.21 0.42 -0.36 0.00 0.00 175.35 176.58 2x4t s ILE 92 N -0.97 1.85 -0.21 5.43 1.01 -1.26 -0.08 121.20 126.96 2x4t s ILE 92 Ca 0.18 -0.88 0.01 0.00 0.00 0.00 0.00 60.65 59.96 2x4t s ILE 92 Cb -0.14 -1.63 0.05 0.00 0.01 0.00 0.00 42.46 40.75 2x4t s ILE 92 CO 0.08 0.51 -0.10 -0.69 0.00 0.00 0.00 174.94 174.74 2x4t s VAL 93 N 0.58 1.70 0.85 2.92 1.01 -0.22 -4.94 120.40 122.30 2x4t s VAL 93 Ca -0.14 -1.12 -0.10 0.00 0.00 0.00 0.00 61.98 60.62 2x4t s VAL 93 Cb -0.17 -1.80 0.11 0.00 0.00 0.00 0.00 36.38 34.52 2x4t s VAL 93 CO 0.04 0.11 1.12 -0.54 0.00 0.00 0.00 175.10 175.84 2x4t s LYS 94 N 1.36 1.55 -0.39 2.72 1.02 -1.26 -1.04 119.74 123.69 2x4t s LYS 94 Ca -0.03 1.36 -0.13 0.00 0.02 0.00 0.00 55.97 57.19 2x4t s LYS 94 Cb -0.17 -1.80 0.02 0.00 -0.52 0.00 0.00 37.83 35.36 2x4t s LYS 94 CO -0.08 -2.20 0.25 -0.46 -0.92 0.00 0.00 175.35 171.95 2x4t s TRP 95 N -2.77 3.24 -1.03 3.18 -0.00 0.20 -4.77 118.94 116.99 2x4t s TRP 95 Ca 0.64 -0.79 -0.12 0.00 -0.00 0.00 0.00 56.10 55.83 2x4t s TRP 95 Cb -0.20 -2.52 0.23 0.00 -0.00 0.00 0.00 33.47 30.98 2x4t s TRP 95 CO 0.57 -0.62 1.07 0.34 -0.00 0.00 0.00 176.95 178.31 2x4t s ASP 96 N 1.62 7.06 0.21 5.86 -1.08 -1.26 -4.75 116.67 124.33 2x4t s ASP 96 Ca 0.03 -3.10 -0.18 0.00 -0.52 0.00 0.00 52.55 48.79 2x4t s ASP 96 Cb -0.19 -2.26 0.21 0.00 -1.46 0.00 0.00 42.92 39.21 2x4t s ASP 96 CO 0.08 -0.52 1.58 0.08 0.52 0.00 0.00 175.17 176.91 2x4t h ARG 97 N 7.26 -0.08 -0.01 4.34 0.11 -1.95 -3.50 114.38 120.56 2x4t h ARG 97 Ca 0.18 0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.27 2x4t h ARG 97 Cb 0.93 0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.03 2x4t h ARG 97 CO 0.99 -0.05 0.00 -0.25 0.10 0.00 0.00 179.97 180.76