#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kps s GLN 2 N 0.00 1.20 -0.13 6.28 -0.21 -1.26 -4.57 119.66 120.97 3kps s GLN 2 Ca 0.00 -0.14 0.01 0.00 0.02 0.00 0.00 55.36 55.25 3kps s GLN 2 Cb 0.00 -1.32 0.02 0.00 1.00 0.00 0.00 33.01 32.70 3kps s GLN 2 CO 0.00 -0.24 -0.16 1.03 -2.12 0.00 0.00 175.29 173.79 3kps s ARG 3 N 1.64 2.44 0.50 2.91 0.52 0.01 -4.93 118.95 122.04 3kps s ARG 3 Ca 0.02 -0.63 -0.22 0.00 -0.52 0.00 0.00 55.73 54.38 3kps s ARG 3 Cb -0.13 -2.10 -0.06 0.00 0.52 0.00 0.00 34.95 33.18 3kps s ARG 3 CO -0.06 -0.11 1.26 -0.08 0.02 0.00 0.00 175.30 176.33 3kps s THR 4 N 1.12 2.60 0.34 0.02 -1.32 -1.26 -0.88 115.64 116.25 3kps s THR 4 Ca -0.03 0.45 -0.26 0.00 -1.21 0.00 0.00 61.69 60.65 3kps s THR 4 Cb -0.14 -3.23 -0.10 0.00 -1.51 0.00 0.00 72.50 67.52 3kps s THR 4 CO -0.05 -0.00 0.95 -2.16 -2.21 0.00 0.00 174.62 171.15 3kps s PRO 5 N -2.79 4.53 0.01 7.08 0.04 -1.26 -4.22 135.00 138.38 3kps s PRO 5 Ca 0.67 1.33 -0.13 0.00 0.04 0.00 0.00 61.00 62.91 3kps s PRO 5 Cb -0.34 -2.73 -0.06 0.00 0.04 0.00 0.00 34.50 31.41 3kps s PRO 5 CO 0.41 0.22 0.39 0.15 0.04 0.00 0.00 177.00 178.22 3kps s LYS 6 N -2.17 3.86 -0.01 4.56 1.02 -0.12 -4.95 119.74 121.92 3kps s LYS 6 Ca 0.52 0.33 0.03 0.00 0.02 0.00 0.00 55.97 56.87 3kps s LYS 6 Cb -0.18 -3.18 -0.01 0.00 -0.52 0.00 0.00 37.83 33.95 3kps s LYS 6 CO 0.23 0.67 -0.11 0.42 -0.92 0.00 0.00 175.35 175.65 3kps s ILE 7 N -1.14 0.86 -0.01 2.17 1.01 -1.26 -1.32 121.20 121.52 3kps s ILE 7 Ca 0.25 -0.45 -0.00 0.00 0.00 0.00 0.00 60.65 60.45 3kps s ILE 7 Cb -0.16 -0.73 0.02 0.00 0.01 0.00 0.00 42.46 41.60 3kps s ILE 7 CO 0.14 0.25 0.02 -1.10 0.00 0.00 0.00 174.94 174.24 3kps s GLN 8 N -0.14 -0.02 -0.13 2.79 -0.21 -0.48 -4.98 119.66 116.50 3kps s GLN 8 Ca 0.02 0.10 0.02 0.00 0.02 0.00 0.00 55.36 55.52 3kps s GLN 8 Cb -0.05 -0.13 0.02 0.00 1.00 0.00 0.00 33.01 33.84 3kps s GLN 8 CO -0.00 -0.09 -0.17 0.08 -2.12 0.00 0.00 175.29 172.99 3kps s VAL 9 N 0.57 1.66 0.16 1.09 1.01 -1.26 -0.06 120.40 123.57 3kps s VAL 9 Ca -0.05 -0.73 -0.18 0.00 0.00 0.00 0.00 61.98 61.03 3kps s VAL 9 Cb -0.07 -1.51 0.04 0.00 0.00 0.00 0.00 36.38 34.84 3kps s VAL 9 CO -0.02 0.47 0.50 -0.72 0.00 0.00 0.00 175.10 175.33 3kps s TYR 10 N 1.08 -0.23 0.43 5.22 1.13 -1.06 -4.56 117.35 119.37 3kps s TYR 10 Ca -0.03 -0.08 -0.04 0.00 -1.41 0.00 0.00 57.07 55.50 3kps s TYR 10 Cb -0.14 0.38 -0.04 0.00 -1.10 0.00 0.00 41.96 41.06 3kps s TYR 10 CO -0.04 -0.83 0.72 -1.54 -2.51 0.00 0.00 175.55 171.34 3kps s SER 11 N -2.83 6.30 -0.04 -0.18 1.04 -1.26 -1.34 113.70 115.39 3kps s SER 11 Ca 0.05 0.83 -0.26 0.00 0.48 0.00 0.00 55.95 57.05 3kps s SER 11 Cb -0.00 -2.20 -0.20 0.00 0.10 0.00 0.00 66.02 63.72 3kps s SER 11 CO -0.08 -0.48 1.14 -0.09 0.98 0.00 0.00 173.24 174.72 3kps h ARG 12 N 0.52 -0.04 -6.30 4.02 2.43 -1.50 -3.46 114.38 110.05 3kps h ARG 12 Ca -0.48 0.00 -0.61 0.00 -0.81 0.00 0.00 59.98 58.09 3kps h ARG 12 Cb 1.21 0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 30.66 3kps h ARG 12 CO 0.62 0.50 -0.63 -1.01 -1.51 0.00 0.00 179.97 177.94 3kps s HIS 13 N -3.87 2.98 -0.24 2.20 3.76 -1.26 -5.03 115.29 113.83 3kps s HIS 13 Ca -0.16 -0.06 -0.39 0.00 -0.15 0.00 0.00 55.06 54.30 3kps s HIS 13 Cb 0.01 -1.47 -0.15 0.00 1.11 0.00 0.00 32.58 32.08 3kps s HIS 13 CO 0.64 0.51 1.81 -2.30 -0.85 0.00 0.00 174.74 174.55 3kps n PRO 14 N 0.05 1.38 -1.65 8.40 -0.02 -1.26 -4.74 135.00 137.16 3kps n PRO 14 Ca -0.10 0.50 -0.61 0.00 -2.02 0.00 0.00 63.50 61.28 3kps n PRO 14 Cb 0.54 -2.25 -0.08 0.00 -0.02 0.00 0.00 33.50 31.69 3kps n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kps n ALA 15 N 5.93 -1.71 -3.73 3.55 0.00 -1.26 -4.98 120.51 118.32 3kps n ALA 15 Ca 0.27 0.51 -0.26 0.00 0.00 0.00 0.00 53.44 53.95 3kps n ALA 15 Cb 0.17 -1.96 -0.17 0.00 0.00 0.00 0.00 19.45 17.49 3kps n ALA 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3kps s GLU 16 N 1.87 0.54 -0.00 0.00 2.12 -1.26 -5.12 118.70 116.84 3kps s GLU 16 Ca 0.96 -0.19 -0.35 0.00 0.36 0.00 0.00 54.97 55.75 3kps s GLU 16 Cb -1.26 -1.69 -0.13 0.00 0.26 0.00 0.00 34.13 31.31 3kps s GLU 16 CO 0.66 -0.54 1.72 0.09 -0.54 0.00 0.00 175.26 176.66 3kps n ASN 17 N 5.12 3.09 0.00 -1.70 3.02 -1.26 -0.98 115.26 122.56 3kps n ASN 17 Ca -0.08 1.03 0.00 0.00 -0.03 0.00 0.00 54.58 55.50 3kps n ASN 17 Cb 0.48 -1.36 0.00 0.00 -0.61 0.00 0.00 39.78 38.30 3kps n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kps n GLY 18 N 3.90 3.06 3.70 7.41 0.00 -0.90 -5.02 105.19 117.34 3kps n GLY 18 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 3kps n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3kps s LYS 19 N -0.32 4.38 1.14 1.61 2.20 -0.15 -4.95 119.74 123.65 3kps s LYS 19 Ca 0.00 0.85 -0.12 0.00 -0.36 0.00 0.00 55.97 56.34 3kps s LYS 19 Cb 0.00 -3.49 0.27 0.00 -1.51 0.00 0.00 37.83 33.10 3kps s LYS 19 CO 0.00 -0.05 1.05 0.45 -0.36 0.00 0.00 175.35 176.44 3kps s SER 20 N 0.92 1.15 0.00 1.43 0.15 -1.26 -4.26 113.70 111.83 3kps s SER 20 Ca 0.36 1.69 0.00 0.00 0.70 0.00 0.00 55.95 58.70 3kps s SER 20 Cb -0.17 -2.40 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 3kps s SER 20 CO 0.16 -4.12 0.00 -3.20 1.20 0.00 0.00 173.24 167.27 3kps n ASN 21 N -4.88 0.00 -3.96 5.45 2.85 -0.39 -4.96 115.26 109.38 3kps n ASN 21 Ca 0.05 -1.00 -0.22 0.00 -0.11 0.00 0.00 54.58 53.30 3kps n ASN 21 Cb 0.54 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.39 3kps n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 3kps s PHE 22 N -3.07 1.06 -0.22 1.20 0.40 -1.26 -1.94 117.98 114.15 3kps s PHE 22 Ca 0.00 -0.35 -0.10 0.00 -0.60 0.00 0.00 56.93 55.88 3kps s PHE 22 Cb 0.00 -0.84 -0.05 0.00 0.51 0.00 0.00 43.02 42.64 3kps s PHE 22 CO 0.00 -0.22 0.14 -1.17 0.70 0.00 0.00 175.22 174.67 3kps s LEU 23 N 0.76 4.12 -0.06 -0.37 2.96 -0.22 -1.09 118.68 124.78 3kps s LEU 23 Ca -0.13 0.15 0.02 0.00 -0.22 0.00 0.00 54.13 53.95 3kps s LEU 23 Cb -0.15 -2.09 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 3kps s LEU 23 CO 0.02 0.11 -0.12 0.20 -1.32 0.00 0.00 176.35 175.24 3kps s ASN 24 N 0.78 4.24 -0.17 3.68 0.01 -0.45 -2.58 114.94 120.45 3kps s ASN 24 Ca 0.07 -0.14 0.01 0.00 -0.71 0.00 0.00 52.86 52.09 3kps s ASN 24 Cb -0.13 -1.00 0.01 0.00 0.41 0.00 0.00 41.25 40.54 3kps s ASN 24 CO 0.02 0.34 -0.18 0.00 -1.51 0.00 0.00 177.10 175.77 3kps s TYR 26 N 1.04 3.37 -0.19 0.00 5.04 0.91 -0.68 117.35 126.83 3kps s TYR 26 Ca -0.01 -2.00 -0.10 0.00 -2.44 0.00 0.00 57.07 52.52 3kps s TYR 26 Cb -0.15 -2.50 -0.05 0.00 0.35 0.00 0.00 41.96 39.62 3kps s TYR 26 CO -0.05 -0.85 0.13 0.14 -1.34 0.00 0.00 175.55 173.58 3kps s VAL 27 N 1.23 5.40 0.23 3.14 -7.23 -0.98 -1.38 120.40 120.81 3kps s VAL 27 Ca -0.00 0.18 -0.08 0.00 -1.81 0.00 0.00 61.98 60.27 3kps s VAL 27 Cb -0.21 -3.45 -0.02 0.00 0.56 0.00 0.00 36.38 33.26 3kps s VAL 27 CO -0.02 0.45 0.35 -0.94 -0.31 0.00 0.00 175.10 174.63 3kps s SER 28 N 0.26 -0.00 -1.92 4.85 1.04 -0.43 -1.36 113.70 116.14 3kps s SER 28 Ca 0.08 -1.09 0.00 0.00 0.48 0.00 0.00 55.95 55.43 3kps s SER 28 Cb -0.11 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.52 3kps s SER 28 CO -0.02 -1.02 0.00 0.61 0.98 0.00 0.00 173.24 173.79 3kps n GLY 29 N -0.33 0.59 3.75 7.32 0.00 -0.86 -0.94 105.19 114.72 3kps n GLY 29 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 3kps n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3kps s PHE 30 N -2.87 2.83 -0.29 1.61 -0.12 -1.22 -4.47 117.98 113.46 3kps s PHE 30 Ca 0.00 -0.26 -0.19 0.00 -0.05 0.00 0.00 56.93 56.43 3kps s PHE 30 Cb 0.00 -1.49 0.13 0.00 -0.63 0.00 0.00 43.02 41.03 3kps s PHE 30 CO 0.00 0.43 0.97 -1.58 -0.05 0.00 0.00 175.22 174.99 3kps s HIS 31 N -2.31 -0.58 0.95 3.49 2.46 -0.06 -1.54 115.29 117.70 3kps s HIS 31 Ca 0.35 1.22 -0.16 0.00 0.47 0.00 0.00 55.06 56.94 3kps s HIS 31 Cb -0.05 0.37 0.22 0.00 -0.13 0.00 0.00 32.58 32.99 3kps s HIS 31 CO 0.23 -0.29 1.15 -0.35 -2.47 0.00 0.00 174.74 173.01 3kps n PRO 32 N 3.33 -1.68 -0.31 2.88 -0.04 -1.26 -0.81 135.00 137.11 3kps n PRO 32 Ca -0.17 -1.79 -0.04 0.00 -0.04 0.00 0.00 63.50 61.46 3kps n PRO 32 Cb 0.57 -1.31 0.10 0.00 -0.04 0.00 0.00 33.50 32.82 3kps n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3kps h SER 33 N -1.87 1.09 -2.75 3.54 4.64 -2.00 -3.45 113.55 112.76 3kps h SER 33 Ca -0.39 -0.11 -0.58 0.00 -0.47 0.00 0.00 61.79 60.24 3kps h SER 33 Cb 1.09 -0.28 0.09 0.00 -0.31 0.00 0.00 62.40 62.99 3kps h SER 33 CO 0.27 0.90 0.58 0.47 -0.87 0.00 0.00 176.83 178.18 3kps n ASP 34 N -4.32 2.71 -3.65 4.97 9.92 -1.26 -4.99 116.55 119.92 3kps n ASP 34 Ca 0.09 1.15 -0.03 0.00 -0.53 0.00 0.00 54.79 55.47 3kps n ASP 34 Cb 0.12 -1.43 -0.05 0.00 -0.64 0.00 0.00 41.12 39.12 3kps n ASP 34 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 3kps s ILE 35 N -0.23 -0.81 -0.46 0.53 2.07 -1.26 -4.71 121.20 116.33 3kps s ILE 35 Ca 0.66 0.01 -0.25 0.00 -1.41 0.00 0.00 60.65 59.67 3kps s ILE 35 Cb -0.64 -0.97 0.03 0.00 0.13 0.00 0.00 42.46 41.01 3kps s ILE 35 CO 0.52 0.01 0.88 -0.70 -1.91 0.00 0.00 174.94 173.73 3kps s GLU 36 N 2.66 3.47 -0.15 3.50 2.56 0.44 -4.97 118.70 126.21 3kps s GLU 36 Ca -0.06 0.04 0.01 0.00 0.00 0.00 0.00 54.97 54.95 3kps s GLU 36 Cb -0.11 -3.94 0.02 0.00 2.00 0.00 0.00 34.13 32.10 3kps s GLU 36 CO -0.19 -1.21 -0.15 0.08 -0.56 0.00 0.00 175.26 173.23 3kps s VAL 37 N 3.61 1.67 -0.02 3.70 1.01 -1.26 0.78 120.40 129.89 3kps s VAL 37 Ca 0.34 -0.70 0.08 0.00 0.00 0.00 0.00 61.98 61.70 3kps s VAL 37 Cb -0.11 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 3kps s VAL 37 CO 0.25 0.48 -0.25 -1.81 0.00 0.00 0.00 175.10 173.76 3kps s ASP 38 N 1.43 2.96 -0.18 3.32 1.01 0.26 -4.98 116.67 120.49 3kps s ASP 38 Ca 0.05 -0.46 -0.14 0.00 0.71 0.00 0.00 52.55 52.71 3kps s ASP 38 Cb -0.13 -0.33 -0.05 0.00 1.01 0.00 0.00 42.92 43.43 3kps s ASP 38 CO -0.11 0.31 0.29 -0.76 0.21 0.00 0.00 175.17 175.11 3kps s LEU 39 N -0.62 4.22 0.13 1.23 1.43 -1.26 0.34 118.68 124.15 3kps s LEU 39 Ca 0.10 0.46 0.07 0.00 -1.03 0.00 0.00 54.13 53.72 3kps s LEU 39 Cb -0.10 -2.36 -0.04 0.00 0.03 0.00 0.00 46.19 43.72 3kps s LEU 39 CO -0.01 0.07 -0.03 -0.76 0.23 0.00 0.00 176.35 175.86 3kps s LEU 40 N 0.64 3.29 -0.11 1.79 1.43 0.51 -2.10 118.68 124.13 3kps s LEU 40 Ca 0.16 -0.33 -0.02 0.00 -1.03 0.00 0.00 54.13 52.91 3kps s LEU 40 Cb -0.13 -2.00 0.04 0.00 0.03 0.00 0.00 46.19 44.13 3kps s LEU 40 CO 0.04 0.13 0.00 -0.75 0.23 0.00 0.00 176.35 176.01 3kps s LYS 41 N -2.59 0.72 -0.78 1.70 2.20 -0.02 -2.33 119.74 118.64 3kps s LYS 41 Ca 0.25 -0.09 0.00 0.00 -0.36 0.00 0.00 55.97 55.78 3kps s LYS 41 Cb -0.10 -1.38 0.00 0.00 -1.51 0.00 0.00 37.83 34.84 3kps s LYS 41 CO 0.17 -0.40 0.00 0.09 -0.36 0.00 0.00 175.35 174.85 3kps n ASN 42 N 5.10 -2.85 0.00 1.43 3.02 0.41 -0.21 115.26 122.16 3kps n ASN 42 Ca -0.08 0.27 0.00 0.00 -0.03 0.00 0.00 54.58 54.74 3kps n ASN 42 Cb 0.49 -2.55 0.00 0.00 -0.61 0.00 0.00 39.78 37.11 3kps n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kps n GLY 43 N -0.58 3.10 3.69 7.41 0.00 -1.26 -5.04 105.19 112.50 3kps n GLY 43 Ca -0.10 -0.87 -0.43 0.00 0.00 0.00 0.00 46.02 44.62 3kps n GLY 43 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3kps n GLU 44 N 0.00 2.75 -2.42 1.61 -0.58 0.71 -4.94 120.64 117.78 3kps n GLU 44 Ca 0.00 1.00 -0.42 0.00 -0.42 0.00 0.00 57.16 57.32 3kps n GLU 44 Cb 0.00 -2.89 -0.03 0.00 -0.57 0.00 0.00 31.44 27.96 3kps n GLU 44 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 3kps s ARG 45 N 2.64 4.33 0.09 3.49 3.52 -1.26 -0.84 118.95 130.91 3kps s ARG 45 Ca 0.82 1.72 -0.29 0.00 -0.13 0.00 0.00 55.73 57.86 3kps s ARG 45 Cb -0.50 -3.58 -0.06 0.00 -1.56 0.00 0.00 34.95 29.26 3kps s ARG 45 CO 0.38 -0.49 0.91 0.42 -0.81 0.00 0.00 175.30 175.70 3kps s ILE 46 N 2.35 4.56 0.51 4.11 1.01 -0.89 -4.97 121.20 127.88 3kps s ILE 46 Ca 0.57 1.95 0.05 0.00 0.00 0.00 0.00 60.65 63.22 3kps s ILE 46 Cb -0.26 -4.26 0.04 0.00 0.01 0.00 0.00 42.46 37.99 3kps s ILE 46 CO 0.22 0.33 0.70 -1.61 0.00 0.00 0.00 174.94 174.59 3kps s GLU 47 N -0.02 2.56 -1.19 2.79 8.01 -1.26 -4.53 118.70 125.06 3kps s GLU 47 Ca 0.44 -1.14 -0.09 0.00 0.01 0.00 0.00 54.97 54.19 3kps s GLU 47 Cb -0.23 -2.62 -0.02 0.00 -4.31 0.00 0.00 34.13 26.96 3kps s GLU 47 CO 0.28 -0.60 0.78 1.63 0.01 0.00 0.00 175.26 177.36 3kps n LYS 48 N -2.15 -2.89 -4.44 1.61 5.02 -1.26 -5.03 118.16 109.02 3kps n LYS 48 Ca 0.10 0.61 -0.34 0.00 -2.02 0.00 0.00 58.31 56.66 3kps n LYS 48 Cb 0.60 -4.91 -0.13 0.00 -0.02 0.00 0.00 35.03 30.57 3kps n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3kps s VAL 49 N -3.54 3.57 0.33 -0.18 1.01 -1.26 -4.82 120.40 115.51 3kps s VAL 49 Ca 0.28 -0.47 0.07 0.00 0.00 0.00 0.00 61.98 61.86 3kps s VAL 49 Cb -0.08 -2.55 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 3kps s VAL 49 CO 0.82 0.49 0.39 -1.61 0.00 0.00 0.00 175.10 175.19 3kps s GLU 50 N 0.53 2.95 0.04 2.72 2.02 -0.31 -4.95 118.70 121.71 3kps s GLU 50 Ca -0.05 -1.13 -0.06 0.00 0.02 0.00 0.00 54.97 53.75 3kps s GLU 50 Cb -0.15 -2.67 -0.01 0.00 0.10 0.00 0.00 34.13 31.40 3kps s GLU 50 CO 0.03 0.08 0.11 -3.38 0.02 0.00 0.00 175.26 172.12 3kps s HIS 51 N -2.23 0.19 1.06 1.61 -3.43 -1.26 -1.52 115.29 109.72 3kps s HIS 51 Ca 0.43 -0.49 -0.16 0.00 -0.80 0.00 0.00 55.06 54.04 3kps s HIS 51 Cb -0.08 -0.13 0.22 0.00 -1.43 0.00 0.00 32.58 31.16 3kps s HIS 51 CO 0.29 -0.38 1.14 -1.54 -2.00 0.00 0.00 174.74 172.25 3kps s SER 52 N -2.15 2.14 0.26 7.38 1.04 -0.20 -4.98 113.70 117.19 3kps s SER 52 Ca -0.05 0.79 -0.23 0.00 0.48 0.00 0.00 55.95 56.94 3kps s SER 52 Cb -0.01 -1.19 -0.09 0.00 0.10 0.00 0.00 66.02 64.83 3kps s SER 52 CO -0.05 -3.39 0.83 -1.81 0.98 0.00 0.00 173.24 169.81 3kps s ASP 53 N -3.93 7.22 0.26 7.02 1.01 -1.26 -4.76 116.67 122.22 3kps s ASP 53 Ca 0.68 1.63 -0.30 0.00 0.71 0.00 0.00 52.55 55.27 3kps s ASP 53 Cb -0.12 -2.50 -0.13 0.00 1.01 0.00 0.00 42.92 41.17 3kps s ASP 53 CO 0.55 0.00 1.35 -0.11 0.21 0.00 0.00 175.17 177.18 3kps n LEU 54 N 0.73 3.03 -3.91 1.23 7.94 -1.26 -4.89 117.00 119.88 3kps n LEU 54 Ca -0.01 1.16 -0.10 0.00 -1.11 0.00 0.00 56.01 55.95 3kps n LEU 54 Cb 0.50 -1.42 -0.01 0.00 0.53 0.00 0.00 43.42 43.02 3kps n LEU 54 CO 0.44 -0.58 0.38 -0.55 -1.11 0.00 0.00 177.39 175.96 3kps s SER 55 N 0.10 0.18 0.05 1.96 0.15 -1.24 -5.04 113.70 109.86 3kps s SER 55 Ca 0.65 -1.12 -0.20 0.00 0.70 0.00 0.00 55.95 55.99 3kps s SER 55 Cb -0.65 0.75 0.04 0.00 -1.71 0.00 0.00 66.02 64.46 3kps s SER 55 CO 0.53 -1.47 0.46 0.72 1.20 0.00 0.00 173.24 174.68 3kps s PHE 56 N -2.98 -0.33 0.69 3.44 -0.71 -1.26 -1.44 117.98 115.39 3kps s PHE 56 Ca 0.19 0.31 -0.11 0.00 -1.04 0.00 0.00 56.93 56.28 3kps s PHE 56 Cb -0.03 0.28 0.16 0.00 -1.21 0.00 0.00 43.02 42.21 3kps s PHE 56 CO 0.13 -0.62 0.94 0.43 -1.34 0.00 0.00 175.22 174.76 3kps n SER 57 N 0.39 0.17 -0.33 1.98 7.64 0.26 -4.89 113.62 118.84 3kps n SER 57 Ca -0.18 -1.40 0.09 0.00 1.01 0.00 0.00 58.87 58.39 3kps n SER 57 Cb 0.60 -0.71 0.26 0.00 -1.01 0.00 0.00 64.21 63.35 3kps n SER 57 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 3kps h LYS 58 N 0.00 0.71 -1.14 1.43 3.64 -2.03 -2.05 116.57 117.13 3kps h LYS 58 Ca -0.30 -0.04 -0.40 0.00 -1.27 0.00 0.00 60.65 58.63 3kps h LYS 58 Cb 0.86 -0.16 -0.21 0.00 -0.41 0.00 0.00 32.23 32.32 3kps h LYS 58 CO 0.22 0.47 0.52 -0.40 -2.27 0.00 0.00 179.45 177.99 3kps n ASP 59 N -4.80 5.06 0.00 4.20 5.68 -1.26 -4.90 116.55 120.53 3kps n ASP 59 Ca 0.20 -3.21 0.00 0.00 -0.50 0.00 0.00 54.79 51.27 3kps n ASP 59 Cb 0.47 -0.86 0.00 0.00 -1.14 0.00 0.00 41.12 39.59 3kps n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 3kps n TRP 60 N -0.41 0.00 -2.78 2.11 7.02 -0.77 -4.96 117.44 117.65 3kps n TRP 60 Ca 0.42 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.51 3kps n TRP 60 Cb 0.99 -0.86 -0.06 0.00 -2.42 0.00 0.00 31.31 28.96 3kps n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3kps s SER 61 N -2.47 7.47 0.41 -0.99 1.04 -1.26 -4.73 113.70 113.17 3kps s SER 61 Ca 0.00 1.87 -0.18 0.00 0.48 0.00 0.00 55.95 58.13 3kps s SER 61 Cb 0.00 -2.59 -0.10 0.00 0.10 0.00 0.00 66.02 63.44 3kps s SER 61 CO 0.00 0.04 0.88 -0.36 0.98 0.00 0.00 173.24 174.78 3kps s PHE 62 N -1.41 3.36 -0.00 5.02 0.08 -0.59 -0.58 117.98 123.87 3kps s PHE 62 Ca 0.46 1.43 0.00 0.00 0.12 0.00 0.00 56.93 58.94 3kps s PHE 62 Cb -0.22 -2.71 0.00 0.00 -0.57 0.00 0.00 43.02 39.52 3kps s PHE 62 CO 0.27 -0.08 -0.01 1.52 -0.10 0.00 0.00 175.22 176.82 3kps s TYR 63 N -2.20 0.15 0.04 0.36 -0.85 -0.52 -2.02 117.35 112.31 3kps s TYR 63 Ca 0.58 -0.02 0.02 0.00 -0.52 0.00 0.00 57.07 57.13 3kps s TYR 63 Cb -0.10 -0.11 -0.02 0.00 0.38 0.00 0.00 41.96 42.11 3kps s TYR 63 CO 0.18 -0.01 -0.07 -0.51 -1.52 0.00 0.00 175.55 173.63 3kps s LEU 64 N 0.02 2.26 -0.10 -3.49 1.43 -0.47 -3.66 118.68 114.68 3kps s LEU 64 Ca 0.00 -0.55 0.02 0.00 -1.03 0.00 0.00 54.13 52.57 3kps s LEU 64 Cb -0.01 -0.11 -0.01 0.00 0.03 0.00 0.00 46.19 46.08 3kps s LEU 64 CO -0.00 -0.23 -0.17 -0.22 0.23 0.00 0.00 176.35 175.96 3kps s LEU 65 N -1.58 2.48 -0.16 1.79 2.96 -1.26 -2.32 118.68 120.59 3kps s LEU 65 Ca -0.11 -0.39 -0.02 0.00 -0.22 0.00 0.00 54.13 53.39 3kps s LEU 65 Cb -0.10 -1.52 -0.02 0.00 0.50 0.00 0.00 46.19 45.05 3kps s LEU 65 CO 0.00 0.20 -0.08 -0.31 -1.32 0.00 0.00 176.35 174.84 3kps s TYR 66 N 0.13 2.91 0.18 5.38 1.51 0.14 -1.04 117.35 126.56 3kps s TYR 66 Ca -0.09 -0.65 0.00 0.00 -1.01 0.00 0.00 57.07 55.33 3kps s TYR 66 Cb -0.15 -1.95 -0.04 0.00 -0.11 0.00 0.00 41.96 39.70 3kps s TYR 66 CO 0.06 -0.27 0.06 1.52 -1.11 0.00 0.00 175.55 175.80 3kps s TYR 67 N 0.70 1.16 -0.15 2.71 1.13 -0.57 0.48 117.35 122.81 3kps s TYR 67 Ca -0.04 -1.17 -0.30 0.00 -1.41 0.00 0.00 57.07 54.15 3kps s TYR 67 Cb -0.15 -0.65 0.13 0.00 -1.10 0.00 0.00 41.96 40.19 3kps s TYR 67 CO 0.02 -0.40 0.99 -0.08 -2.51 0.00 0.00 175.55 173.58 3kps s THR 68 N -3.88 0.00 0.36 -3.49 -1.32 -1.06 -1.16 115.64 105.09 3kps s THR 68 Ca 0.29 0.00 -0.27 0.00 -1.21 0.00 0.00 61.69 60.50 3kps s THR 68 Cb 0.07 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.97 3kps s THR 68 CO 0.06 0.00 1.22 -1.61 -2.21 0.00 0.00 174.62 172.08 3kps s GLU 69 N -1.31 4.25 0.07 7.08 2.02 -1.26 -1.05 118.70 128.50 3kps s GLU 69 Ca -0.01 2.00 -0.23 0.00 0.02 0.00 0.00 54.97 56.75 3kps s GLU 69 Cb -0.01 -2.91 0.06 0.00 0.10 0.00 0.00 34.13 31.37 3kps s GLU 69 CO 0.01 -0.20 0.55 -0.59 0.02 0.00 0.00 175.26 175.04 3kps s PHE 70 N -1.26 -0.46 -0.19 1.61 -0.71 -0.82 -4.85 117.98 111.30 3kps s PHE 70 Ca 0.52 0.48 0.00 0.00 -1.04 0.00 0.00 56.93 56.89 3kps s PHE 70 Cb -0.35 0.39 0.04 0.00 -1.21 0.00 0.00 43.02 41.90 3kps s PHE 70 CO 0.45 -0.69 -0.09 0.99 -1.34 0.00 0.00 175.22 174.54 3kps s THR 71 N -2.68 1.50 0.67 -4.49 2.01 -1.26 -1.27 115.64 110.13 3kps s THR 71 Ca -0.04 -0.92 -0.13 0.00 0.31 0.00 0.00 61.69 60.91 3kps s THR 71 Cb -0.00 -1.61 0.00 0.00 0.01 0.00 0.00 72.50 70.90 3kps s THR 71 CO -0.04 0.15 1.07 -2.84 -0.69 0.00 0.00 174.62 172.28 3kps s PRO 72 N 1.46 2.89 0.00 4.92 0.02 -1.26 -4.86 135.00 138.16 3kps s PRO 72 Ca -0.01 1.16 0.00 0.00 0.02 0.00 0.00 61.00 62.17 3kps s PRO 72 Cb -0.16 -1.98 0.00 0.00 0.02 0.00 0.00 34.50 32.38 3kps s PRO 72 CO -0.08 -1.15 0.00 0.25 -0.33 0.00 0.00 177.00 175.69 3kps n THR 73 N -2.74 0.00 0.07 0.99 -2.24 -1.26 -2.11 114.28 106.99 3kps n THR 73 Ca 0.09 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.97 3kps n THR 73 Cb 0.53 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.71 3kps n THR 73 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3kps n GLU 74 N 0.00 0.62 0.10 -0.78 4.07 -1.26 -4.35 120.64 119.04 3kps n GLU 74 Ca 0.00 0.04 -0.19 0.00 -0.06 0.00 0.00 57.16 56.96 3kps n GLU 74 Cb 0.00 -1.74 -0.11 0.00 -0.06 0.00 0.00 31.44 29.52 3kps n GLU 74 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 3kps h LYS 75 N 0.00 0.46 -5.39 5.31 1.79 -2.02 -3.47 116.57 113.26 3kps h LYS 75 Ca -0.02 -0.64 -0.61 0.00 -2.18 0.00 0.00 60.65 57.20 3kps h LYS 75 Cb 1.05 0.22 -0.12 0.00 -1.58 0.00 0.00 32.23 31.80 3kps h LYS 75 CO 0.00 1.27 -0.20 -0.51 -1.08 0.00 0.00 179.45 178.94 3kps s ASP 76 N -7.28 6.41 -0.17 0.86 1.01 -1.26 -5.06 116.67 111.18 3kps s ASP 76 Ca -0.07 0.49 -0.21 0.00 0.71 0.00 0.00 52.55 53.46 3kps s ASP 76 Cb 0.07 -2.23 -0.03 0.00 1.01 0.00 0.00 42.92 41.74 3kps s ASP 76 CO 0.90 -0.10 0.64 -1.61 0.21 0.00 0.00 175.17 175.22 3kps s GLU 77 N 1.44 4.26 0.03 8.23 2.02 -1.26 -4.74 118.70 128.68 3kps s GLU 77 Ca 0.19 0.67 0.05 0.00 0.02 0.00 0.00 54.97 55.90 3kps s GLU 77 Cb -0.15 -3.55 -0.03 0.00 0.10 0.00 0.00 34.13 30.50 3kps s GLU 77 CO 0.08 -0.17 -0.12 0.71 0.02 0.00 0.00 175.26 175.78 3kps s TYR 78 N 1.67 2.72 0.22 1.61 2.02 -1.26 -0.45 117.35 123.88 3kps s TYR 78 Ca 0.30 -0.15 -0.14 0.00 -0.37 0.00 0.00 57.07 56.71 3kps s TYR 78 Cb -0.16 -1.52 0.01 0.00 -0.40 0.00 0.00 41.96 39.88 3kps s TYR 78 CO 0.12 0.32 0.49 0.00 -1.57 0.00 0.00 175.55 174.90 3kps s ALA 79 N -0.99 -0.52 -0.13 3.71 0.00 -0.99 -0.12 121.76 122.73 3kps s ALA 79 Ca 0.16 -0.61 0.00 0.00 0.00 0.00 0.00 51.96 51.51 3kps s ALA 79 Cb -0.11 0.95 -0.01 0.00 0.00 0.00 0.00 23.12 23.95 3kps s ALA 79 CO 0.07 -0.82 -0.14 0.00 0.00 0.00 0.00 175.76 174.87 3kps s ARG 81 N 0.43 3.00 -0.12 0.00 3.52 0.15 -1.58 118.95 124.34 3kps s ARG 81 Ca -0.11 -0.94 0.02 0.00 -0.13 0.00 0.00 55.73 54.57 3kps s ARG 81 Cb -0.16 -3.56 -0.00 0.00 -1.56 0.00 0.00 34.95 29.67 3kps s ARG 81 CO 0.05 -0.56 -0.20 0.08 -0.81 0.00 0.00 175.30 173.87 3kps s VAL 82 N 1.54 2.38 -0.01 7.11 1.01 0.84 0.90 120.40 134.17 3kps s VAL 82 Ca 0.02 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.16 3kps s VAL 82 Cb -0.18 -1.96 -0.01 0.00 0.00 0.00 0.00 36.38 34.23 3kps s VAL 82 CO 0.05 0.54 -0.15 0.21 0.00 0.00 0.00 175.10 175.75 3kps s ASN 83 N 0.51 1.80 0.02 3.32 3.84 0.23 0.93 114.94 125.60 3kps s ASN 83 Ca -0.13 -0.29 -0.20 0.00 0.21 0.00 0.00 52.86 52.46 3kps s ASN 83 Cb -0.17 -0.20 0.04 0.00 -0.55 0.00 0.00 41.25 40.38 3kps s ASN 83 CO 0.05 0.18 0.44 -2.28 -2.79 0.00 0.00 177.10 172.70 3kps s HIS 84 N -0.38 -0.32 0.25 0.43 5.65 -1.26 -0.42 115.29 119.23 3kps s HIS 84 Ca 0.06 0.39 -0.04 0.00 0.25 0.00 0.00 55.06 55.72 3kps s HIS 84 Cb -0.06 0.23 0.48 0.00 -1.18 0.00 0.00 32.58 32.05 3kps s HIS 84 CO -0.01 -0.54 1.69 -0.24 -0.65 0.00 0.00 174.74 174.99 3kps h VAL 85 N 3.18 0.52 0.00 0.89 3.04 -1.94 0.77 116.25 122.72 3kps h VAL 85 Ca -0.30 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.29 3kps h VAL 85 Cb 1.19 0.20 0.00 0.00 -2.01 0.00 0.00 31.29 30.67 3kps h VAL 85 CO 0.42 0.05 0.00 0.71 -1.01 0.00 0.00 177.57 177.74 3kps h THR 86 N 0.29 0.00 -3.05 3.17 1.35 -1.90 -3.42 112.91 109.36 3kps h THR 86 Ca 0.43 -0.18 -0.60 0.00 -0.55 0.00 0.00 66.41 65.51 3kps h THR 86 Cb 0.73 0.88 -0.05 0.00 -1.73 0.00 0.00 68.15 67.98 3kps h THR 86 CO -0.50 0.00 -0.25 -0.76 -0.25 0.00 0.00 175.52 173.76 3kps s LEU 87 N -4.85 4.39 -0.01 3.87 1.43 0.26 -4.96 118.68 118.82 3kps s LEU 87 Ca 0.01 0.82 0.22 0.00 -1.03 0.00 0.00 54.13 54.15 3kps s LEU 87 Cb 0.09 -2.82 -0.25 0.00 0.03 0.00 0.00 46.19 43.24 3kps s LEU 87 CO 0.35 0.23 0.76 -1.54 0.23 0.00 0.00 176.35 176.39 3kps n SER 88 N 1.23 0.62 -3.83 2.29 3.41 -1.26 -4.69 113.62 111.38 3kps n SER 88 Ca -0.10 -0.59 -0.15 0.00 -0.26 0.00 0.00 58.87 57.77 3kps n SER 88 Cb 0.52 1.33 -0.15 0.00 -0.26 0.00 0.00 64.21 65.65 3kps n SER 88 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3kps s GLN 89 N -3.20 0.11 0.16 4.33 -0.21 -1.26 -5.12 119.66 114.48 3kps s GLN 89 Ca 0.02 0.06 -0.32 0.00 0.02 0.00 0.00 55.36 55.15 3kps s GLN 89 Cb 0.15 -0.25 -0.17 0.00 1.00 0.00 0.00 33.01 33.74 3kps s GLN 89 CO 0.88 -0.08 0.90 -0.35 -2.12 0.00 0.00 175.29 174.52 3kps n PRO 90 N 3.71 0.56 -4.21 2.91 -0.04 -1.26 -4.92 135.00 131.75 3kps n PRO 90 Ca -0.21 0.20 -0.34 0.00 -0.04 0.00 0.00 63.50 63.10 3kps n PRO 90 Cb 0.54 -1.51 -0.12 0.00 -0.04 0.00 0.00 33.50 32.37 3kps n PRO 90 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 3kps s LYS 91 N -0.68 3.70 -0.23 0.54 2.20 0.26 -4.91 119.74 120.63 3kps s LYS 91 Ca 0.71 -0.49 -0.00 0.00 -0.36 0.00 0.00 55.97 55.83 3kps s LYS 91 Cb -0.94 -3.03 0.03 0.00 -1.51 0.00 0.00 37.83 32.38 3kps s LYS 91 CO 0.55 0.16 -0.11 0.42 -0.36 0.00 0.00 175.35 176.01 3kps s ILE 92 N 0.61 2.54 -0.21 5.43 1.01 -1.25 -0.12 121.20 129.22 3kps s ILE 92 Ca -0.01 -1.05 -0.08 0.00 0.00 0.00 0.00 60.65 59.51 3kps s ILE 92 Cb -0.14 -2.24 -0.04 0.00 0.01 0.00 0.00 42.46 40.05 3kps s ILE 92 CO 0.02 0.29 0.08 -0.69 0.00 0.00 0.00 174.94 174.64 3kps s VAL 93 N 1.29 4.75 0.35 2.92 1.01 -0.62 -4.94 120.40 125.16 3kps s VAL 93 Ca 0.01 -0.04 -0.23 0.00 0.00 0.00 0.00 61.98 61.71 3kps s VAL 93 Cb -0.16 -3.17 -0.10 0.00 0.00 0.00 0.00 36.38 32.95 3kps s VAL 93 CO -0.07 0.41 0.91 -0.54 0.00 0.00 0.00 175.10 175.82 3kps s LYS 94 N 0.75 4.42 -0.04 2.72 1.02 -1.26 -0.02 119.74 127.33 3kps s LYS 94 Ca 0.04 1.19 -0.25 0.00 0.02 0.00 0.00 55.97 56.97 3kps s LYS 94 Cb -0.13 -2.60 -0.04 0.00 -0.52 0.00 0.00 37.83 34.54 3kps s LYS 94 CO 0.02 0.19 0.75 -0.46 -0.92 0.00 0.00 175.35 174.93 3kps s TRP 95 N -1.80 3.62 -0.12 3.18 -0.00 0.83 -4.92 118.94 119.73 3kps s TRP 95 Ca 0.53 1.35 0.02 0.00 -0.00 0.00 0.00 56.10 58.00 3kps s TRP 95 Cb -0.15 -2.85 0.02 0.00 -0.00 0.00 0.00 33.47 30.49 3kps s TRP 95 CO 0.20 0.11 -0.16 0.34 -0.00 0.00 0.00 176.95 177.44 3kps s ASP 96 N 0.65 2.63 0.66 5.86 -1.08 -1.26 -4.73 116.67 119.40 3kps s ASP 96 Ca 0.40 -0.48 0.32 0.00 -0.52 0.00 0.00 52.55 52.27 3kps s ASP 96 Cb -0.19 -1.18 1.72 0.00 -1.46 0.00 0.00 42.92 41.81 3kps s ASP 96 CO 0.20 0.01 1.99 0.08 0.52 0.00 0.00 175.17 177.97 3kps h ARG 97 N 7.55 0.00 -0.57 4.34 0.11 -1.97 -1.44 114.38 122.40 3kps h ARG 97 Ca -0.33 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.75 3kps h ARG 97 Cb 1.17 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.25 3kps h ARG 97 CO 0.51 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 180.33 3kps n ASP 98 N -3.03 4.49 0.00 0.08 8.00 -1.26 -4.73 116.55 120.11 3kps n ASP 98 Ca -0.01 -2.47 0.00 0.00 0.71 0.00 0.00 54.79 53.02 3kps n ASP 98 Cb 0.36 -0.54 0.00 0.00 -0.02 0.00 0.00 41.12 40.92 3kps n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04