#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dpb s ASP 2 N 0.00 5.63 0.10 0.00 -0.00 -1.26 -5.10 116.67 116.04 3dpb s ASP 2 Ca 0.00 0.03 0.07 0.00 -0.00 0.00 0.00 52.55 52.65 3dpb s ASP 2 Cb 0.00 -1.98 -0.04 0.00 -0.00 0.00 0.00 42.92 40.90 3dpb s ASP 2 CO 0.00 0.11 -0.11 -0.76 -0.00 0.00 0.00 175.17 174.40 3dpb s LEU 3 N 0.77 2.98 0.08 1.23 1.43 -1.26 -5.14 118.68 118.77 3dpb s LEU 3 Ca 0.04 -0.41 0.02 0.00 -1.03 0.00 0.00 54.13 52.75 3dpb s LEU 3 Cb -0.13 -1.78 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 3dpb s LEU 3 CO 0.02 0.18 -0.08 0.42 0.23 0.00 0.00 176.35 177.12 3dpb s THR 4 N -1.20 0.70 0.21 5.49 -4.23 -1.26 -5.16 115.64 110.18 3dpb s THR 4 Ca 0.21 -1.56 -0.08 0.00 -1.18 0.00 0.00 61.69 59.08 3dpb s THR 4 Cb -0.11 -1.23 -0.02 0.00 1.34 0.00 0.00 72.50 72.48 3dpb s THR 4 CO 0.13 -0.63 0.30 0.00 -0.54 0.00 0.00 174.62 173.88 3dpb s ALA 5 N -2.56 0.32 -0.04 3.99 0.00 -1.26 -5.19 121.76 117.02 3dpb s ALA 5 Ca 0.03 -1.17 -0.15 0.00 0.00 0.00 0.00 51.96 50.67 3dpb s ALA 5 Cb -0.02 1.11 0.03 0.00 0.00 0.00 0.00 23.12 24.24 3dpb s ALA 5 CO -0.02 -0.70 0.33 -1.54 0.00 0.00 0.00 175.76 173.83 3dpb s SER 6 N -3.05 -0.24 0.04 0.00 1.04 -1.26 -5.17 113.70 105.06 3dpb s SER 6 Ca 0.26 0.23 -0.04 0.00 0.48 0.00 0.00 55.95 56.88 3dpb s SER 6 Cb 0.03 0.40 -0.01 0.00 0.10 0.00 0.00 66.02 66.53 3dpb s SER 6 CO 0.07 -0.39 0.07 0.28 0.98 0.00 0.00 173.24 174.25 3dpb s THR 7 N -1.03 0.14 -0.27 2.02 -1.32 -1.26 -5.13 115.64 108.78 3dpb s THR 7 Ca -0.11 -1.14 -0.09 0.00 -1.21 0.00 0.00 61.69 59.14 3dpb s THR 7 Cb -0.05 -0.88 -0.03 0.00 -1.51 0.00 0.00 72.50 70.03 3dpb s THR 7 CO 0.04 -0.63 0.14 -0.89 -2.21 0.00 0.00 174.62 171.06 3dpb s THR 8 N -2.60 4.78 -0.25 5.08 2.01 -1.26 -5.08 115.64 118.32 3dpb s THR 8 Ca -0.05 -0.08 -0.10 0.00 0.31 0.00 0.00 61.69 61.77 3dpb s THR 8 Cb -0.01 -3.29 -0.05 0.00 0.01 0.00 0.00 72.50 69.16 3dpb s THR 8 CO -0.05 0.25 0.15 -0.69 -0.69 0.00 0.00 174.62 173.60 3dpb s VAL 9 N 1.67 5.20 -0.07 3.82 1.01 -1.26 -5.10 120.40 125.68 3dpb s VAL 9 Ca 0.06 0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.19 3dpb s VAL 9 Cb -0.16 -3.44 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 3dpb s VAL 9 CO 0.07 0.32 -0.12 -0.89 0.00 0.00 0.00 175.10 174.48 3dpb s THR 10 N 1.31 3.21 -0.04 3.92 2.01 -1.26 -5.12 115.64 119.66 3dpb s THR 10 Ca 0.07 -0.66 0.03 0.00 0.31 0.00 0.00 61.69 61.44 3dpb s THR 10 Cb -0.14 -2.29 0.00 0.00 0.01 0.00 0.00 72.50 70.08 3dpb s THR 10 CO 0.06 0.58 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.76 3dpb s VAL 11 N -0.54 1.10 -0.26 3.82 1.01 -1.26 -5.12 120.40 119.15 3dpb s VAL 11 Ca 0.07 -0.51 -0.13 0.00 0.00 0.00 0.00 61.98 61.41 3dpb s VAL 11 Cb -0.12 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 3dpb s VAL 11 CO 0.02 0.33 0.30 -0.89 0.00 0.00 0.00 175.10 174.86 3dpb s THR 12 N 0.31 5.24 -0.19 3.92 2.01 -1.26 -5.07 115.64 120.60 3dpb s THR 12 Ca -0.07 0.44 -0.02 0.00 0.31 0.00 0.00 61.69 62.34 3dpb s THR 12 Cb -0.12 -3.63 -0.01 0.00 0.01 0.00 0.00 72.50 68.75 3dpb s THR 12 CO 0.02 0.22 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.40 3dpb s VAL 13 N 1.76 3.17 0.06 3.82 1.01 -1.26 -5.11 120.40 123.85 3dpb s VAL 13 Ca 0.13 -0.58 0.08 0.00 0.00 0.00 0.00 61.98 61.61 3dpb s VAL 13 Cb -0.15 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.79 3dpb s VAL 13 CO 0.09 0.46 -0.19 0.68 0.00 0.00 0.00 175.10 176.15 3dpb s VAL 14 N 1.15 2.76 -0.25 2.92 -7.23 -1.26 -5.11 120.40 113.38 3dpb s VAL 14 Ca 0.02 -1.26 -0.11 0.00 -1.81 0.00 0.00 61.98 58.81 3dpb s VAL 14 Cb -0.14 -2.18 -0.05 0.00 0.56 0.00 0.00 36.38 34.57 3dpb s VAL 14 CO -0.02 0.29 0.18 -1.61 -0.31 0.00 0.00 175.10 173.63 3dpb s GLU 15 N -1.57 4.03 0.78 4.82 2.02 -1.26 -5.10 118.70 122.42 3dpb s GLU 15 Ca 0.15 -0.28 -0.12 0.00 0.02 0.00 0.00 54.97 54.75 3dpb s GLU 15 Cb -0.10 -3.58 0.06 0.00 0.10 0.00 0.00 34.13 30.60 3dpb s GLU 15 CO 0.06 -0.03 1.15 -2.14 0.02 0.00 0.00 175.26 174.33 3dpb s PRO 16 N 1.31 2.22 -0.69 0.39 0.02 -1.26 -5.03 135.00 131.96 3dpb s PRO 16 Ca 0.08 0.21 -0.12 0.00 0.02 0.00 0.00 61.00 61.19 3dpb s PRO 16 Cb -0.14 -1.97 0.18 0.00 0.02 0.00 0.00 34.50 32.58 3dpb s PRO 16 CO 0.07 -1.43 0.61 0.00 -0.33 0.00 0.00 177.00 175.91 3dpb s ALA 17 N -3.51 3.83 -0.17 -1.55 0.00 -1.26 -5.01 121.76 114.08 3dpb s ALA 17 Ca 0.61 -3.08 -0.11 0.00 0.00 0.00 0.00 51.96 49.37 3dpb s ALA 17 Cb -0.11 -3.22 -0.05 0.00 0.00 0.00 0.00 23.12 19.74 3dpb s ALA 17 CO 0.50 -2.15 0.20 1.03 0.00 0.00 0.00 175.76 175.34 3dpb s ARG 18 N 0.51 4.16 -0.05 0.00 0.52 -1.26 -5.09 118.95 117.74 3dpb s ARG 18 Ca 0.14 -0.07 -0.01 0.00 -0.52 0.00 0.00 55.73 55.27 3dpb s ARG 18 Cb -0.17 -3.40 0.03 0.00 0.52 0.00 0.00 34.95 31.92 3dpb s ARG 18 CO -0.05 0.32 0.02 0.42 0.02 0.00 0.00 175.30 176.03 3dpb s ILE 19 N 0.27 0.16 0.25 1.52 -1.09 -1.26 -2.85 121.20 118.19 3dpb s ILE 19 Ca 0.12 0.21 0.11 0.00 -2.23 0.00 0.00 60.65 58.86 3dpb s ILE 19 Cb -0.12 -0.33 -0.05 0.00 -1.58 0.00 0.00 42.46 40.38 3dpb s ILE 19 CO 0.01 0.20 -0.19 0.42 -1.23 0.00 0.00 174.94 174.15 3dpb s THR 20 N 1.75 2.25 -0.11 2.92 -4.23 -0.48 -4.95 115.64 112.79 3dpb s THR 20 Ca 0.01 -2.29 -0.05 0.00 -1.18 0.00 0.00 61.69 58.17 3dpb s THR 20 Cb -0.13 -2.19 0.05 0.00 1.34 0.00 0.00 72.50 71.57 3dpb s THR 20 CO -0.03 -0.41 0.25 -0.22 -0.54 0.00 0.00 174.62 173.66 3dpb s LEU 21 N -3.32 0.19 -0.12 4.79 2.96 -1.26 -1.03 118.68 120.89 3dpb s LEU 21 Ca 0.26 0.54 0.01 0.00 -0.22 0.00 0.00 54.13 54.72 3dpb s LEU 21 Cb -0.04 0.71 -0.01 0.00 0.50 0.00 0.00 46.19 47.35 3dpb s LEU 21 CO 0.12 -0.19 -0.16 -0.89 -1.32 0.00 0.00 176.35 173.91 3dpb s THR 22 N 1.63 2.76 -0.21 3.68 2.01 -0.03 -4.95 115.64 120.52 3dpb s THR 22 Ca -0.06 -0.77 -0.03 0.00 0.31 0.00 0.00 61.69 61.14 3dpb s THR 22 Cb -0.11 -2.13 -0.01 0.00 0.01 0.00 0.00 72.50 70.26 3dpb s THR 22 CO -0.08 0.53 -0.06 -0.47 -0.69 0.00 0.00 174.62 173.85 3dpb s TYR 23 N 0.35 2.94 -0.28 4.92 5.04 -1.26 0.37 117.35 129.43 3dpb s TYR 23 Ca -0.13 -0.91 -0.05 0.00 -2.44 0.00 0.00 57.07 53.53 3dpb s TYR 23 Cb -0.17 -2.07 0.01 0.00 0.35 0.00 0.00 41.96 40.09 3dpb s TYR 23 CO 0.07 -0.51 0.03 0.21 -1.34 0.00 0.00 175.55 174.01 3dpb s LYS 24 N 1.33 3.01 0.55 4.97 2.20 -0.15 -4.99 119.74 126.66 3dpb s LYS 24 Ca 0.04 -0.90 -0.21 0.00 -0.36 0.00 0.00 55.97 54.54 3dpb s LYS 24 Cb -0.14 -3.24 -0.05 0.00 -1.51 0.00 0.00 37.83 32.89 3dpb s LYS 24 CO -0.03 -0.43 1.33 -1.21 -0.36 0.00 0.00 175.35 174.65 3dpb s GLU 25 N 1.44 3.13 0.13 4.03 2.02 -1.26 -1.26 118.70 126.93 3dpb s GLU 25 Ca 0.02 2.16 0.00 0.00 0.02 0.00 0.00 54.97 57.17 3dpb s GLU 25 Cb -0.17 -2.22 0.03 0.00 0.10 0.00 0.00 34.13 31.87 3dpb s GLU 25 CO 0.00 -1.17 0.18 0.41 0.02 0.00 0.00 175.26 174.70 3dpb n GLY 26 N 0.71 0.98 3.74 -1.39 0.00 0.13 -4.82 105.19 104.53 3dpb n GLY 26 Ca 0.11 -2.00 -0.37 0.00 0.00 0.00 0.00 46.02 43.76 3dpb n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dpb s ALA 27 N -2.70 2.47 0.67 4.61 0.00 -1.26 -4.95 121.76 120.60 3dpb s ALA 27 Ca 0.12 1.14 -0.17 0.00 0.00 0.00 0.00 51.96 53.05 3dpb s ALA 27 Cb -0.01 -3.51 -0.01 0.00 0.00 0.00 0.00 23.12 19.59 3dpb s ALA 27 CO 0.08 -1.41 1.08 -0.35 0.00 0.00 0.00 175.76 175.16 3dpb n PRO 28 N -1.73 0.80 -3.17 0.00 -0.04 -1.26 -4.89 135.00 124.70 3dpb n PRO 28 Ca 0.15 0.33 -0.40 0.00 -0.04 0.00 0.00 63.50 63.53 3dpb n PRO 28 Cb 0.49 -2.31 -0.07 0.00 -0.04 0.00 0.00 33.50 31.57 3dpb n PRO 28 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3dpb s ILE 29 N -1.60 5.01 -0.13 0.52 1.09 -1.26 -5.06 121.20 119.76 3dpb s ILE 29 Ca 0.77 0.91 -0.14 0.00 -1.10 0.00 0.00 60.65 61.09 3dpb s ILE 29 Cb -0.38 -3.91 -0.05 0.00 -1.06 0.00 0.00 42.46 37.07 3dpb s ILE 29 CO 0.46 -0.00 0.30 0.28 -0.10 0.00 0.00 174.94 175.88 3dpb s THR 30 N 2.44 5.28 -0.04 2.92 -1.32 -1.26 -5.06 115.64 118.60 3dpb s THR 30 Ca 0.23 0.57 -0.30 0.00 -1.21 0.00 0.00 61.69 60.99 3dpb s THR 30 Cb -0.15 -3.63 -0.02 0.00 -1.51 0.00 0.00 72.50 67.18 3dpb s THR 30 CO 0.10 0.43 1.01 -0.63 -2.21 0.00 0.00 174.62 173.32 3dpb s ILE 31 N 0.15 4.76 0.99 5.08 1.01 -1.26 -4.47 121.20 127.45 3dpb s ILE 31 Ca 0.18 2.00 -0.13 0.00 0.00 0.00 0.00 60.65 62.69 3dpb s ILE 31 Cb -0.13 -4.28 0.18 0.00 0.01 0.00 0.00 42.46 38.24 3dpb s ILE 31 CO 0.05 0.09 1.12 -0.04 0.00 0.00 0.00 174.94 176.16 3dpb s MET 32 N 1.48 0.52 0.43 2.79 -1.94 0.40 -4.90 119.30 118.08 3dpb s MET 32 Ca 0.51 0.29 0.29 0.00 -1.71 0.00 0.00 55.69 55.08 3dpb s MET 32 Cb -0.21 -1.77 1.17 0.00 2.01 0.00 0.00 34.83 36.04 3dpb s MET 32 CO 0.24 -2.62 1.86 0.22 -0.01 0.00 0.00 175.02 174.71 3dpb h ASP 33 N -1.81 0.00 -0.01 3.03 3.58 -1.97 -1.40 116.42 117.84 3dpb h ASP 33 Ca -0.51 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.94 3dpb h ASP 33 Cb 1.32 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.37 3dpb h ASP 33 CO 0.56 0.00 0.00 -0.46 -2.88 0.00 0.00 179.24 176.46 3dpb n ASN 34 N -2.75 0.78 0.00 2.28 0.23 -1.26 -4.94 115.26 109.61 3dpb n ASN 34 Ca 0.01 -1.28 0.00 0.00 -0.53 0.00 0.00 54.58 52.78 3dpb n ASN 34 Cb 0.29 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.99 3dpb n ASN 34 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3dpb n GLY 35 N 1.08 0.77 3.90 4.83 0.00 -0.53 -4.97 105.19 110.27 3dpb n GLY 35 Ca 0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.95 3dpb n GLY 35 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3dpb s ASN 36 N -2.95 6.34 0.13 1.61 0.01 -1.26 -3.98 114.94 114.84 3dpb s ASN 36 Ca 0.00 0.94 0.00 0.00 -0.71 0.00 0.00 52.86 53.09 3dpb s ASN 36 Cb 0.00 -2.25 -0.04 0.00 0.41 0.00 0.00 41.25 39.37 3dpb s ASN 36 CO 0.00 -0.49 0.29 0.27 -1.51 0.00 0.00 177.10 175.66 3dpb s ILE 37 N -2.58 5.31 0.75 0.60 -0.00 -1.26 -0.46 121.20 123.57 3dpb s ILE 37 Ca 0.48 -0.46 -0.11 0.00 -0.00 0.00 0.00 60.65 60.56 3dpb s ILE 37 Cb -0.10 -3.69 0.04 0.00 -0.00 0.00 0.00 42.46 38.71 3dpb s ILE 37 CO 0.40 -0.02 1.08 -0.62 -0.00 0.00 0.00 174.94 175.78 3dpb s ASP 38 N -2.91 4.84 0.16 4.36 -1.08 -1.26 -4.93 116.67 115.85 3dpb s ASP 38 Ca 0.36 1.60 -0.03 0.00 -0.52 0.00 0.00 52.55 53.95 3dpb s ASP 38 Cb -0.12 -2.39 -0.05 0.00 -1.46 0.00 0.00 42.92 38.90 3dpb s ASP 38 CO 0.28 -1.79 0.38 0.28 0.52 0.00 0.00 175.17 174.84 3dpb s THR 39 N -3.02 5.18 -0.81 1.71 -1.32 -1.26 -4.37 115.64 111.74 3dpb s THR 39 Ca 0.60 -0.09 0.00 0.00 -1.21 0.00 0.00 61.69 60.98 3dpb s THR 39 Cb -0.15 -3.66 0.00 0.00 -1.51 0.00 0.00 72.50 67.18 3dpb s THR 39 CO 0.55 -0.03 0.00 -0.62 -2.21 0.00 0.00 174.62 172.31 3dpb n GLU 40 N -0.16 -0.94 -2.00 7.08 -0.58 -0.02 -4.91 120.64 119.11 3dpb n GLU 40 Ca -0.03 0.69 -0.41 0.00 -0.42 0.00 0.00 57.16 56.99 3dpb n GLU 40 Cb 0.52 -4.64 -0.02 0.00 -0.57 0.00 0.00 31.44 26.73 3dpb n GLU 40 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3dpb s LEU 41 N -1.74 4.38 -0.79 -4.62 1.43 -1.26 -4.71 118.68 111.37 3dpb s LEU 41 Ca 0.00 2.65 -0.25 0.00 -1.03 0.00 0.00 54.13 55.50 3dpb s LEU 41 Cb 0.00 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.56 3dpb s LEU 41 CO 0.00 -0.72 1.94 -0.22 0.23 0.00 0.00 176.35 177.58 3dpb s LEU 42 N -0.08 3.20 0.20 1.79 2.96 -1.26 -2.00 118.68 123.50 3dpb s LEU 42 Ca 0.61 -0.27 -0.06 0.00 -0.22 0.00 0.00 54.13 54.19 3dpb s LEU 42 Cb -0.42 -2.55 0.15 0.00 0.50 0.00 0.00 46.19 43.87 3dpb s LEU 42 CO 0.41 -2.66 1.64 0.58 -1.32 0.00 0.00 176.35 174.99 3dpb h VAL 43 N 7.16 1.27 -1.05 1.68 2.07 -1.43 -3.37 116.25 122.57 3dpb h VAL 43 Ca -0.04 -1.25 0.34 0.00 0.82 0.00 0.00 66.70 66.57 3dpb h VAL 43 Cb 1.06 1.04 -0.20 0.00 -1.52 0.00 0.00 31.29 31.68 3dpb h VAL 43 CO 1.20 0.43 0.98 -0.83 0.02 0.00 0.00 177.57 179.38 3dpb s GLY 44 N -3.74 -0.25 -0.17 2.17 0.00 -1.19 -0.70 107.32 103.44 3dpb s GLY 44 Ca -0.10 1.77 0.01 0.00 0.00 0.00 0.00 44.72 46.39 3dpb s GLY 44 CO 0.84 0.57 -0.20 -1.59 0.00 0.00 0.00 173.10 172.72 3dpb s THR 45 N -2.04 2.12 -0.13 0.90 2.01 -0.39 -0.47 115.64 117.63 3dpb s THR 45 Ca 0.12 -0.93 -0.13 0.00 0.31 0.00 0.00 61.69 61.06 3dpb s THR 45 Cb 0.00 -1.88 -0.05 0.00 0.01 0.00 0.00 72.50 70.58 3dpb s THR 45 CO -0.03 0.54 0.30 -0.76 -0.69 0.00 0.00 174.62 173.97 3dpb s LEU 46 N 1.21 4.29 -0.22 4.42 1.43 0.82 -0.98 118.68 129.66 3dpb s LEU 46 Ca 0.03 0.58 0.01 0.00 -1.03 0.00 0.00 54.13 53.71 3dpb s LEU 46 Cb -0.14 -2.38 0.03 0.00 0.03 0.00 0.00 46.19 43.74 3dpb s LEU 46 CO -0.11 0.16 -0.13 -0.89 0.23 0.00 0.00 176.35 175.62 3dpb s THR 47 N 0.09 2.36 -0.09 5.49 2.01 0.16 -0.00 115.64 125.65 3dpb s THR 47 Ca 0.18 -1.15 -0.19 0.00 0.31 0.00 0.00 61.69 60.83 3dpb s THR 47 Cb -0.13 -2.17 -0.04 0.00 0.01 0.00 0.00 72.50 70.16 3dpb s THR 47 CO 0.05 0.28 0.52 -0.22 -0.69 0.00 0.00 174.62 174.56 3dpb s LEU 48 N 1.25 4.30 0.00 4.42 2.96 -0.58 -0.85 118.68 130.18 3dpb s LEU 48 Ca -0.00 0.91 0.03 0.00 -0.22 0.00 0.00 54.13 54.85 3dpb s LEU 48 Cb -0.16 -2.77 -0.01 0.00 0.50 0.00 0.00 46.19 43.74 3dpb s LEU 48 CO -0.08 0.00 0.12 0.61 -1.32 0.00 0.00 176.35 175.69 3dpb n GLY 49 N 3.11 3.48 1.57 7.98 0.00 -0.19 -1.42 105.19 119.72 3dpb n GLY 49 Ca -0.06 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.01 3dpb n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dpb n GLY 50 N 0.09 2.86 3.76 -0.02 0.00 -1.24 -1.38 105.19 109.26 3dpb n GLY 50 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 3dpb n GLY 50 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3dpb s TYR 51 N -1.87 2.53 0.23 1.61 -0.85 -1.13 -4.38 117.35 113.48 3dpb s TYR 51 Ca 0.00 1.57 -0.30 0.00 -0.52 0.00 0.00 57.07 57.82 3dpb s TYR 51 Cb 0.00 -3.09 -0.09 0.00 0.38 0.00 0.00 41.96 39.16 3dpb s TYR 51 CO 0.00 -1.84 0.96 0.21 -1.52 0.00 0.00 175.55 173.36 3dpb s LYS 52 N -4.70 4.82 0.13 -3.49 2.20 -1.26 -4.73 119.74 112.71 3dpb s LYS 52 Ca 0.63 1.51 -0.34 0.00 -0.36 0.00 0.00 55.97 57.41 3dpb s LYS 52 Cb -0.18 -3.29 -0.14 0.00 -1.51 0.00 0.00 37.83 32.71 3dpb s LYS 52 CO 0.53 0.46 1.56 2.41 -0.36 0.00 0.00 175.35 179.94 3dpb n THR 53 N 1.64 0.04 0.00 3.43 -1.04 -1.26 -1.64 114.28 115.45 3dpb n THR 53 Ca -0.01 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 3dpb n THR 53 Cb 0.47 -1.44 0.00 0.00 -1.82 0.00 0.00 70.33 67.54 3dpb n THR 53 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3dpb n GLY 54 N 3.34 2.33 3.65 3.41 0.00 -1.26 -5.09 105.19 111.57 3dpb n GLY 54 Ca 0.18 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.73 3dpb n GLY 54 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3dpb n THR 55 N -0.34 0.55 -3.87 2.61 -1.04 -0.65 -4.79 114.28 106.75 3dpb n THR 55 Ca 0.00 -0.14 -0.21 0.00 -2.04 0.00 0.00 64.05 61.66 3dpb n THR 55 Cb 0.00 -1.34 -0.03 0.00 -1.82 0.00 0.00 70.33 67.14 3dpb n THR 55 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3dpb s THR 56 N 0.27 4.03 0.14 12.58 -4.23 -1.26 -0.40 115.64 126.76 3dpb s THR 56 Ca 0.74 -1.30 0.21 0.00 -1.18 0.00 0.00 61.69 60.16 3dpb s THR 56 Cb -0.72 -3.34 0.18 0.00 1.34 0.00 0.00 72.50 69.97 3dpb s THR 56 CO 0.46 -0.24 1.77 0.77 -0.54 0.00 0.00 174.62 176.84 3dpb h SER 57 N 1.27 0.00 1.11 3.99 4.64 -1.32 -2.96 113.55 120.29 3dpb h SER 57 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3dpb h SER 57 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3dpb h SER 57 CO 0.59 0.30 0.00 0.35 -0.87 0.00 0.00 176.83 177.19 3dpb n THR 58 N -3.45 0.50 1.27 2.95 -2.24 -1.26 -3.24 114.28 108.81 3dpb n THR 58 Ca 0.00 -0.06 0.09 0.00 -2.27 0.00 0.00 64.05 61.81 3dpb n THR 58 Cb 0.48 -0.70 0.35 0.00 -2.10 0.00 0.00 70.33 68.36 3dpb n THR 58 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3dpb n SER 59 N -1.96 1.49 -4.30 3.42 3.41 -1.12 -4.77 113.62 109.80 3dpb n SER 59 Ca 0.05 -1.73 -0.33 0.00 -0.26 0.00 0.00 58.87 56.61 3dpb n SER 59 Cb 0.34 -0.11 -0.15 0.00 -0.26 0.00 0.00 64.21 64.03 3dpb n SER 59 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3dpb s VAL 60 N -1.78 2.77 -0.11 -3.33 1.01 -1.20 -0.51 120.40 117.25 3dpb s VAL 60 Ca 0.30 -0.75 -0.03 0.00 0.00 0.00 0.00 61.98 61.51 3dpb s VAL 60 Cb 0.16 -2.16 0.04 0.00 0.00 0.00 0.00 36.38 34.42 3dpb s VAL 60 CO 0.24 0.52 0.04 0.21 0.00 0.00 0.00 175.10 176.10 3dpb s ASN 61 N 0.63 1.98 -0.21 3.32 2.47 0.05 -0.89 114.94 122.29 3dpb s ASN 61 Ca -0.08 -0.34 -0.18 0.00 0.42 0.00 0.00 52.86 52.68 3dpb s ASN 61 Cb -0.16 -0.38 -0.03 0.00 -1.45 0.00 0.00 41.25 39.23 3dpb s ASN 61 CO 0.03 -0.26 0.50 -0.36 -3.72 0.00 0.00 177.10 173.28 3dpb s PHE 62 N 2.01 3.36 0.14 0.43 0.40 -0.78 -0.56 117.98 122.98 3dpb s PHE 62 Ca 0.03 0.74 0.07 0.00 -0.60 0.00 0.00 56.93 57.16 3dpb s PHE 62 Cb -0.14 -2.65 -0.04 0.00 0.51 0.00 0.00 43.02 40.70 3dpb s PHE 62 CO -0.06 -0.10 -0.15 0.95 0.70 0.00 0.00 175.22 176.55 3dpb s THR 63 N 1.65 1.51 0.22 0.64 -4.23 0.12 0.13 115.64 115.68 3dpb s THR 63 Ca 0.23 -1.81 -0.04 0.00 -1.18 0.00 0.00 61.69 58.89 3dpb s THR 63 Cb -0.15 -1.66 -0.03 0.00 1.34 0.00 0.00 72.50 71.99 3dpb s THR 63 CO 0.09 -0.39 0.23 1.51 -0.54 0.00 0.00 174.62 175.52 3dpb s ASP 64 N -2.56 0.15 0.25 3.99 1.47 -1.26 -1.14 116.67 117.57 3dpb s ASP 64 Ca 0.12 -1.29 -0.06 0.00 1.18 0.00 0.00 52.55 52.51 3dpb s ASP 64 Cb -0.05 0.44 0.27 0.00 -0.34 0.00 0.00 42.92 43.24 3dpb s ASP 64 CO 0.04 -0.93 1.93 0.00 0.68 0.00 0.00 175.17 176.89 3dpb h ALA 65 N 2.50 1.28 0.00 2.11 0.00 -1.95 -2.60 119.26 120.60 3dpb h ALA 65 Ca -0.33 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 3dpb h ALA 65 Cb 1.25 -0.40 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 3dpb h ALA 65 CO 0.48 0.66 -0.08 0.00 0.00 0.00 0.00 179.25 180.31 3dpb h ALA 66 N 1.37 1.57 -1.72 0.00 0.00 -1.96 -3.46 119.26 115.06 3dpb h ALA 66 Ca 0.36 -0.07 -0.42 0.00 0.00 0.00 0.00 54.91 54.79 3dpb h ALA 66 Cb -0.15 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 17.51 3dpb h ALA 66 CO -0.08 0.10 -0.44 0.41 0.00 0.00 0.00 179.25 179.24 3dpb n GLY 67 N -1.11 1.05 3.63 0.00 0.00 -0.98 -4.94 105.19 102.84 3dpb n GLY 67 Ca -0.03 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 3dpb n GLY 67 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dpb s ASP 68 N -2.52 6.56 0.25 1.61 2.15 -1.26 -4.96 116.67 118.50 3dpb s ASP 68 Ca 0.00 1.35 -0.31 0.00 0.43 0.00 0.00 52.55 54.02 3dpb s ASP 68 Cb 0.00 -2.54 -0.13 0.00 -0.30 0.00 0.00 42.92 39.95 3dpb s ASP 68 CO 0.00 -1.15 1.46 -2.65 -0.17 0.00 0.00 175.17 172.66 3dpb n PRO 69 N 7.45 2.18 0.00 4.34 -0.02 -1.26 -2.48 135.00 145.21 3dpb n PRO 69 Ca 0.16 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 3dpb n PRO 69 Cb 0.46 -2.47 0.00 0.00 -0.02 0.00 0.00 33.50 31.47 3dpb n PRO 69 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3dpb n MET 70 N 2.12 0.00 -4.40 -0.52 2.81 -0.11 -4.99 117.12 112.02 3dpb n MET 70 Ca 0.11 0.00 -0.19 0.00 -1.81 0.00 0.00 57.70 55.81 3dpb n MET 70 Cb 0.32 -1.35 -0.15 0.00 -0.71 0.00 0.00 33.22 31.34 3dpb n MET 70 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 3dpb s TYR 71 N -2.90 0.90 -0.15 2.03 1.51 -1.03 -4.55 117.35 113.15 3dpb s TYR 71 Ca 0.00 -0.19 -0.17 0.00 -1.01 0.00 0.00 57.07 55.70 3dpb s TYR 71 Cb 0.00 -0.57 -0.04 0.00 -0.11 0.00 0.00 41.96 41.24 3dpb s TYR 71 CO 0.00 -0.01 0.43 -0.51 -1.11 0.00 0.00 175.55 174.35 3dpb s LEU 72 N -0.33 4.23 -0.24 -1.29 1.43 -0.61 -4.37 118.68 117.50 3dpb s LEU 72 Ca 0.03 0.68 -0.09 0.00 -1.03 0.00 0.00 54.13 53.72 3dpb s LEU 72 Cb -0.04 -2.60 -0.04 0.00 0.03 0.00 0.00 46.19 43.54 3dpb s LEU 72 CO -0.00 -0.01 0.11 -0.89 0.23 0.00 0.00 176.35 175.78 3dpb s THR 73 N 0.83 4.81 -0.13 5.49 2.01 -1.26 -1.33 115.64 126.06 3dpb s THR 73 Ca 0.22 -0.01 -0.09 0.00 0.31 0.00 0.00 61.69 62.13 3dpb s THR 73 Cb -0.15 -3.24 -0.04 0.00 0.01 0.00 0.00 72.50 69.08 3dpb s THR 73 CO 0.08 0.35 0.17 -0.36 -0.69 0.00 0.00 174.62 174.17 3dpb s PHE 74 N 1.28 3.57 -0.04 4.92 0.40 -0.54 -4.63 117.98 122.94 3dpb s PHE 74 Ca 0.06 0.53 0.02 0.00 -0.60 0.00 0.00 56.93 56.94 3dpb s PHE 74 Cb -0.14 -2.03 0.01 0.00 0.51 0.00 0.00 43.02 41.36 3dpb s PHE 74 CO 0.05 0.62 -0.10 0.99 0.70 0.00 0.00 175.22 177.48 3dpb s THR 75 N -0.69 0.87 0.67 0.64 2.01 -0.57 -1.99 115.64 116.58 3dpb s THR 75 Ca 0.14 -0.38 -0.17 0.00 0.31 0.00 0.00 61.69 61.59 3dpb s THR 75 Cb -0.12 -0.79 -0.00 0.00 0.01 0.00 0.00 72.50 71.60 3dpb s THR 75 CO 0.04 0.28 1.24 -1.54 -0.69 0.00 0.00 174.62 173.94 3dpb n SER 76 N 3.46 1.75 -0.92 3.53 3.41 -0.16 -1.54 113.62 123.15 3dpb n SER 76 Ca -0.20 0.79 0.12 0.00 -0.26 0.00 0.00 58.87 59.32 3dpb n SER 76 Cb 0.53 -1.53 0.24 0.00 -0.26 0.00 0.00 64.21 63.19 3dpb n SER 76 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dpb n GLN 77 N -1.99 2.23 -0.02 4.33 6.02 -0.57 -4.37 117.38 123.01 3dpb n GLN 77 Ca 0.15 -1.83 0.13 0.00 -0.01 0.00 0.00 57.00 55.44 3dpb n GLN 77 Cb 0.48 -1.47 0.57 0.00 1.02 0.00 0.00 30.24 30.84 3dpb n GLN 77 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 3dpb n ASP 78 N 1.11 0.99 0.00 1.08 5.68 -1.26 -4.92 116.55 119.22 3dpb n ASP 78 Ca 0.17 -1.45 0.00 0.00 -0.50 0.00 0.00 54.79 53.01 3dpb n ASP 78 Cb 0.53 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.48 3dpb n ASP 78 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dpb n GLY 79 N 1.06 1.31 0.11 6.12 0.00 -1.26 -4.90 105.19 107.63 3dpb n GLY 79 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.34 3dpb n GLY 79 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dpb n ASN 80 N 0.00 0.54 -3.73 1.61 3.02 -1.26 -4.98 115.26 110.46 3dpb n ASN 80 Ca 0.00 -0.46 -0.25 0.00 -0.03 0.00 0.00 54.58 53.84 3dpb n ASN 80 Cb 0.00 -0.02 0.05 0.00 -0.61 0.00 0.00 39.78 39.20 3dpb n ASN 80 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3dpb n ASN 81 N -1.05 -4.47 -4.71 6.41 4.05 -1.26 -4.97 115.26 109.26 3dpb n ASN 81 Ca 0.12 -0.69 -0.42 0.00 0.45 0.00 0.00 54.58 54.03 3dpb n ASN 81 Cb 0.31 -4.42 -0.03 0.00 1.23 0.00 0.00 39.78 36.87 3dpb n ASN 81 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 177.26 173.21 3dpb s HIS 82 N -3.37 3.54 0.03 1.20 3.76 -1.26 -4.90 115.29 114.28 3dpb s HIS 82 Ca 0.47 1.48 0.04 0.00 -0.15 0.00 0.00 55.06 56.90 3dpb s HIS 82 Cb -0.22 -3.29 -0.02 0.00 1.11 0.00 0.00 32.58 30.16 3dpb s HIS 82 CO 0.78 -0.73 -0.13 -0.65 -0.85 0.00 0.00 174.74 173.16 3dpb s GLN 83 N 0.97 0.91 0.19 1.40 -0.21 -1.26 -0.99 119.66 120.66 3dpb s GLN 83 Ca 0.56 -0.67 0.07 0.00 0.02 0.00 0.00 55.36 55.34 3dpb s GLN 83 Cb -0.26 -0.89 -0.05 0.00 1.00 0.00 0.00 33.01 32.81 3dpb s GLN 83 CO 0.29 0.22 -0.14 -0.59 -2.12 0.00 0.00 175.29 172.96 3dpb s PHE 84 N -0.74 1.62 0.25 0.91 -0.12 -0.84 -4.57 117.98 114.48 3dpb s PHE 84 Ca 0.02 -0.61 0.08 0.00 -0.05 0.00 0.00 56.93 56.37 3dpb s PHE 84 Cb -0.07 -0.76 -0.04 0.00 -0.63 0.00 0.00 43.02 41.52 3dpb s PHE 84 CO 0.01 0.30 0.12 0.95 -0.05 0.00 0.00 175.22 176.55 3dpb s THR 85 N -3.00 4.09 0.05 -4.49 -4.23 -0.30 -1.47 115.64 106.29 3dpb s THR 85 Ca 0.21 -1.57 -0.01 0.00 -1.18 0.00 0.00 61.69 59.14 3dpb s THR 85 Cb -0.00 -3.19 -0.03 0.00 1.34 0.00 0.00 72.50 70.61 3dpb s THR 85 CO 0.05 -0.34 -0.02 0.42 -0.54 0.00 0.00 174.62 174.19 3dpb s THR 86 N -2.18 0.20 0.27 3.99 -4.23 -0.44 -1.63 115.64 111.62 3dpb s THR 86 Ca 0.32 -1.63 0.10 0.00 -1.18 0.00 0.00 61.69 59.31 3dpb s THR 86 Cb -0.07 -1.31 -0.05 0.00 1.34 0.00 0.00 72.50 72.41 3dpb s THR 86 CO 0.23 -0.90 -0.07 -1.59 -0.54 0.00 0.00 174.62 171.75 3dpb s LYS 87 N -3.52 2.10 -0.20 3.99 -2.85 -0.02 -1.57 119.74 117.66 3dpb s LYS 87 Ca 0.03 -1.53 0.01 0.00 -1.00 0.00 0.00 55.97 53.49 3dpb s LYS 87 Cb 0.05 -2.03 0.03 0.00 -2.06 0.00 0.00 37.83 33.82 3dpb s LYS 87 CO -0.09 0.35 -0.17 0.08 0.10 0.00 0.00 175.35 175.63 3dpb s VAL 88 N -2.38 2.12 0.10 1.79 1.01 -1.26 -1.55 120.40 120.22 3dpb s VAL 88 Ca 0.31 -1.14 0.02 0.00 0.00 0.00 0.00 61.98 61.17 3dpb s VAL 88 Cb -0.06 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 3dpb s VAL 88 CO 0.18 0.37 -0.07 0.27 0.00 0.00 0.00 175.10 175.85 3dpb s ILE 89 N 1.24 0.71 0.24 2.22 -5.25 -0.75 -4.26 121.20 115.34 3dpb s ILE 89 Ca 0.01 -1.89 -0.01 0.00 -0.99 0.00 0.00 60.65 57.77 3dpb s ILE 89 Cb -0.15 -1.62 0.01 0.00 2.95 0.00 0.00 42.46 43.64 3dpb s ILE 89 CO -0.10 -0.84 0.33 0.61 -1.79 0.00 0.00 174.94 173.15 3dpb n GLY 90 N 0.05 2.45 3.44 6.27 0.00 0.12 -0.16 105.19 117.35 3dpb n GLY 90 Ca -0.13 -1.55 -0.32 0.00 0.00 0.00 0.00 46.02 44.02 3dpb n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dpb s LYS 91 N -2.56 2.49 0.12 1.61 -0.14 -1.26 -0.38 119.74 119.61 3dpb s LYS 91 Ca 0.20 -0.74 -0.00 0.00 -1.36 0.00 0.00 55.97 54.07 3dpb s LYS 91 Cb -0.01 -2.33 0.03 0.00 -1.68 0.00 0.00 37.83 33.84 3dpb s LYS 91 CO 0.15 0.59 0.17 -0.40 -0.76 0.00 0.00 175.35 175.09 3dpb n ASP 92 N 2.41 0.19 0.02 2.83 5.68 -0.13 -4.91 116.55 122.63 3dpb n ASP 92 Ca -0.17 -1.17 -0.12 0.00 -0.50 0.00 0.00 54.79 52.83 3dpb n ASP 92 Cb 0.52 -0.11 -0.08 0.00 -1.14 0.00 0.00 41.12 40.31 3dpb n ASP 92 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3dpb h SER 93 N -0.12 0.01 0.00 -1.12 4.64 -1.93 -0.75 113.55 114.29 3dpb h SER 93 Ca -0.06 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.09 3dpb h SER 93 Cb 0.19 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 3dpb h SER 93 CO 0.06 0.18 0.00 -1.14 -0.87 0.00 0.00 176.83 175.06 3dpb n ARG 94 N -5.00 0.52 -2.64 4.77 3.00 -1.26 -4.82 116.66 111.23 3dpb n ARG 94 Ca -0.07 0.00 -0.19 0.00 -0.00 0.00 0.00 57.85 57.59 3dpb n ARG 94 Cb 0.11 -1.10 0.01 0.00 0.00 0.00 0.00 32.46 31.48 3dpb n ARG 94 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 3dpb n ASP 95 N -0.23 -5.44 -4.90 6.15 2.03 -0.29 -5.02 116.55 108.86 3dpb n ASP 95 Ca 0.00 -0.14 -0.29 0.00 0.52 0.00 0.00 54.79 54.88 3dpb n ASP 95 Cb 0.05 -4.38 -0.04 0.00 -0.72 0.00 0.00 41.12 36.03 3dpb n ASP 95 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3dpb s PHE 96 N -3.01 3.47 0.14 -0.67 2.99 -1.26 -4.79 117.98 114.85 3dpb s PHE 96 Ca 0.14 0.62 -0.31 0.00 0.00 0.00 0.00 56.93 57.37 3dpb s PHE 96 Cb -0.06 -2.08 -0.10 0.00 0.00 0.00 0.00 43.02 40.78 3dpb s PHE 96 CO 0.17 0.25 1.72 -0.51 -0.00 0.00 0.00 175.22 176.85 3dpb s ASP 97 N -2.96 6.48 0.21 1.36 1.01 -1.26 -0.96 116.67 120.55 3dpb s ASP 97 Ca 0.43 2.70 0.04 0.00 0.71 0.00 0.00 52.55 56.43 3dpb s ASP 97 Cb -0.11 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.19 3dpb s ASP 97 CO 0.28 -0.94 -0.04 0.27 0.21 0.00 0.00 175.17 174.95 3dpb s ILE 98 N 2.10 1.12 0.01 0.77 -4.36 0.49 -4.39 121.20 116.93 3dpb s ILE 98 Ca 0.76 -2.05 -0.07 0.00 -0.26 0.00 0.00 60.65 59.02 3dpb s ILE 98 Cb -0.45 -2.21 0.00 0.00 1.25 0.00 0.00 42.46 41.05 3dpb s ILE 98 CO 0.34 -0.45 0.14 -0.94 0.24 0.00 0.00 174.94 174.27 3dpb s SER 99 N -3.28 0.05 0.82 4.36 1.04 -1.09 0.13 113.70 115.73 3dpb s SER 99 Ca 0.25 -0.27 -0.12 0.00 0.48 0.00 0.00 55.95 56.29 3dpb s SER 99 Cb 0.04 0.22 0.09 0.00 0.10 0.00 0.00 66.02 66.47 3dpb s SER 99 CO 0.07 -0.42 1.19 -2.16 0.98 0.00 0.00 173.24 172.90 3dpb s PRO 100 N -1.71 1.89 0.43 4.02 0.04 -1.26 -4.75 135.00 133.66 3dpb s PRO 100 Ca -0.12 0.09 -0.25 0.00 0.04 0.00 0.00 61.00 60.75 3dpb s PRO 100 Cb -0.06 -1.94 -0.08 0.00 0.04 0.00 0.00 34.50 32.46 3dpb s PRO 100 CO 0.00 -1.64 1.29 0.15 0.04 0.00 0.00 177.00 176.84 3dpb s LYS 101 N -5.59 3.83 -0.12 4.56 1.02 -0.07 -4.49 119.74 118.87 3dpb s LYS 101 Ca 0.63 2.11 -0.00 0.00 0.02 0.00 0.00 55.97 58.73 3dpb s LYS 101 Cb -0.11 -2.64 0.03 0.00 -0.52 0.00 0.00 37.83 34.59 3dpb s LYS 101 CO 0.49 -0.60 -0.09 0.08 -0.92 0.00 0.00 175.35 174.32 3dpb s VAL 102 N -1.31 1.14 -1.46 3.17 1.01 -0.30 -1.87 120.40 120.78 3dpb s VAL 102 Ca 0.60 -0.37 -0.14 0.00 0.00 0.00 0.00 61.98 62.06 3dpb s VAL 102 Cb -0.37 -1.14 0.12 0.00 0.00 0.00 0.00 36.38 34.98 3dpb s VAL 102 CO 0.47 0.37 0.64 0.59 0.00 0.00 0.00 175.10 177.17 3dpb n ASN 103 N 4.91 -3.43 0.00 3.32 3.02 0.36 -0.94 115.26 122.49 3dpb n ASN 103 Ca -0.13 -0.69 0.00 0.00 -0.03 0.00 0.00 54.58 53.73 3dpb n ASN 103 Cb 0.50 -2.83 0.00 0.00 -0.61 0.00 0.00 39.78 36.84 3dpb n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dpb n GLY 104 N -1.26 0.80 3.01 7.41 0.00 -1.26 -4.54 105.19 109.33 3dpb n GLY 104 Ca 0.04 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 3dpb n GLY 104 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dpb s GLU 105 N -0.67 0.51 0.05 1.61 0.41 -1.07 -5.00 118.70 114.54 3dpb s GLU 105 Ca 0.00 -0.41 -0.24 0.00 -0.41 0.00 0.00 54.97 53.90 3dpb s GLU 105 Cb 0.00 -0.42 -0.06 0.00 -1.78 0.00 0.00 34.13 31.87 3dpb s GLU 105 CO 0.00 0.10 0.74 -0.80 -0.49 0.00 0.00 175.26 174.81 3dpb s ASN 106 N -0.66 7.20 0.02 -0.19 0.01 -1.26 -1.15 114.94 118.90 3dpb s ASN 106 Ca -0.02 1.43 -0.18 0.00 -0.71 0.00 0.00 52.86 53.38 3dpb s ASN 106 Cb -0.05 -2.46 -0.27 0.00 0.41 0.00 0.00 41.25 38.88 3dpb s ASN 106 CO 0.00 0.06 1.06 0.25 -1.51 0.00 0.00 177.10 176.96 3dpb h LEU 107 N 5.46 0.67 -7.59 0.60 5.85 -1.86 -3.48 115.31 114.96 3dpb h LEU 107 Ca -0.45 -0.82 -0.23 0.00 0.84 0.00 0.00 57.88 57.23 3dpb h LEU 107 Cb 1.20 -0.21 -0.29 0.00 0.37 0.00 0.00 40.66 41.74 3dpb h LEU 107 CO 0.70 1.42 -0.63 0.54 -0.34 0.00 0.00 178.44 180.13 3dpb s VAL 108 N -2.97 -0.02 0.00 1.05 0.11 -1.26 -5.09 120.40 112.22 3dpb s VAL 108 Ca -0.12 0.06 0.00 0.00 -2.93 0.00 0.00 61.98 58.99 3dpb s VAL 108 Cb 0.04 -0.14 0.00 0.00 -1.53 0.00 0.00 36.38 34.75 3dpb s VAL 108 CO 0.87 0.02 0.00 0.61 -3.33 0.00 0.00 175.10 173.27 3dpb n GLY 109 N 3.39 -0.68 3.88 6.54 0.00 -1.26 -2.69 105.19 114.36 3dpb n GLY 109 Ca -0.17 -1.71 -0.30 0.00 0.00 0.00 0.00 46.02 43.85 3dpb n GLY 109 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dpb s ASP 110 N -2.55 6.38 0.24 1.61 1.01 -1.26 -4.87 116.67 117.22 3dpb s ASP 110 Ca 0.00 1.20 -0.31 0.00 0.71 0.00 0.00 52.55 54.14 3dpb s ASP 110 Cb 0.00 -2.36 -0.13 0.00 1.01 0.00 0.00 42.92 41.44 3dpb s ASP 110 CO 0.00 -0.60 1.56 0.47 0.21 0.00 0.00 175.17 176.81 3dpb n ASP 111 N -2.02 3.42 -4.19 0.27 9.92 -1.26 -4.83 116.55 117.86 3dpb n ASP 111 Ca 0.03 1.12 -0.11 0.00 -0.53 0.00 0.00 54.79 55.30 3dpb n ASP 111 Cb 0.54 -1.51 -0.10 0.00 -0.64 0.00 0.00 41.12 39.41 3dpb n ASP 111 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 3dpb s VAL 112 N 0.33 0.29 0.02 2.53 -7.23 -1.26 -4.99 120.40 110.08 3dpb s VAL 112 Ca 0.70 -1.94 -0.23 0.00 -1.81 0.00 0.00 61.98 58.70 3dpb s VAL 112 Cb -0.57 -2.13 -0.05 0.00 0.56 0.00 0.00 36.38 34.19 3dpb s VAL 112 CO 0.44 -0.42 0.69 -0.69 -0.31 0.00 0.00 175.10 174.82 3dpb s VAL 113 N -3.93 4.81 0.61 1.32 1.01 -1.26 -0.82 120.40 122.14 3dpb s VAL 113 Ca 0.26 1.46 -0.18 0.00 0.00 0.00 0.00 61.98 63.52 3dpb s VAL 113 Cb 0.07 -4.03 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 3dpb s VAL 113 CO 0.04 0.39 1.16 -0.76 0.00 0.00 0.00 175.10 175.92 3dpb s LEU 114 N -0.11 3.59 0.49 3.92 1.43 0.46 -4.88 118.68 123.57 3dpb s LEU 114 Ca 0.35 2.22 -0.22 0.00 -1.03 0.00 0.00 54.13 55.45 3dpb s LEU 114 Cb -0.19 -4.58 -0.09 0.00 0.03 0.00 0.00 46.19 41.36 3dpb s LEU 114 CO 0.20 -1.54 0.89 0.00 0.23 0.00 0.00 176.35 176.13 3dpb n ALA 115 N -1.80 -0.14 -1.80 4.21 0.00 -1.26 -4.74 120.51 114.97 3dpb n ALA 115 Ca 0.12 0.13 -0.41 0.00 0.00 0.00 0.00 53.44 53.28 3dpb n ALA 115 Cb 0.51 -2.03 -0.02 0.00 0.00 0.00 0.00 19.45 17.91 3dpb n ALA 115 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3dpb s THR 116 N -1.42 2.47 0.00 0.00 2.01 -1.26 -3.93 115.64 113.52 3dpb s THR 116 Ca 0.67 0.45 0.00 0.00 0.31 0.00 0.00 61.69 63.12 3dpb s THR 116 Cb -0.51 -3.29 0.00 0.00 0.01 0.00 0.00 72.50 68.72 3dpb s THR 116 CO 0.54 0.10 0.00 0.61 -0.69 0.00 0.00 174.62 175.18 3dpb n GLY 117 N 1.17 2.16 3.32 4.40 0.00 -1.26 -4.85 105.19 110.13 3dpb n GLY 117 Ca 0.03 -0.22 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 3dpb n GLY 117 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dpb s SER 118 N -1.59 0.07 -0.06 1.61 1.04 -1.25 -3.63 113.70 109.89 3dpb s SER 118 Ca 0.00 -0.92 -0.02 0.00 0.48 0.00 0.00 55.95 55.49 3dpb s SER 118 Cb 0.00 0.42 0.03 0.00 0.10 0.00 0.00 66.02 66.57 3dpb s SER 118 CO 0.00 -0.88 0.06 -1.58 0.98 0.00 0.00 173.24 171.82 3dpb s GLN 119 N -3.98 0.03 0.00 4.02 2.00 -0.51 -4.48 119.66 116.74 3dpb s GLN 119 Ca 0.18 0.28 -0.30 0.00 -2.00 0.00 0.00 55.36 53.52 3dpb s GLN 119 Cb 0.04 -0.74 -0.04 0.00 0.80 0.00 0.00 33.01 33.07 3dpb s GLN 119 CO 0.00 -0.37 1.08 -0.51 -0.50 0.00 0.00 175.29 175.00 3dpb s ASP 120 N 2.14 7.22 0.10 6.67 1.01 -1.26 -1.52 116.67 131.02 3dpb s ASP 120 Ca 0.05 1.78 0.10 0.00 0.71 0.00 0.00 52.55 55.18 3dpb s ASP 120 Cb -0.13 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.20 3dpb s ASP 120 CO -0.04 -0.39 -0.23 -0.36 0.21 0.00 0.00 175.17 174.36 3dpb s PHE 121 N 1.30 2.41 -0.12 4.23 0.40 1.00 -4.44 117.98 122.77 3dpb s PHE 121 Ca 0.54 -0.33 0.02 0.00 -0.60 0.00 0.00 56.93 56.56 3dpb s PHE 121 Cb -0.24 -1.33 -0.01 0.00 0.51 0.00 0.00 43.02 41.95 3dpb s PHE 121 CO 0.26 0.31 -0.18 -0.06 0.70 0.00 0.00 175.22 176.25 3dpb s PHE 122 N -1.02 2.70 -0.26 0.36 0.40 0.77 -0.13 117.98 120.80 3dpb s PHE 122 Ca 0.15 -0.83 -0.20 0.00 -0.60 0.00 0.00 56.93 55.45 3dpb s PHE 122 Cb -0.10 -1.78 -0.02 0.00 0.51 0.00 0.00 43.02 41.63 3dpb s PHE 122 CO 0.06 -0.31 0.63 0.08 0.70 0.00 0.00 175.22 176.39 3dpb s VAL 123 N 0.35 4.98 -0.03 -0.44 1.01 0.38 -1.82 120.40 124.83 3dpb s VAL 123 Ca -0.15 1.10 0.05 0.00 0.00 0.00 0.00 61.98 62.99 3dpb s VAL 123 Cb -0.17 -3.94 -0.01 0.00 0.00 0.00 0.00 36.38 32.26 3dpb s VAL 123 CO 0.07 0.01 -0.20 -0.13 0.00 0.00 0.00 175.10 174.86 3dpb s ARG 124 N 2.52 1.77 0.38 2.72 1.81 -0.59 -1.05 118.95 126.51 3dpb s ARG 124 Ca 0.26 -0.70 -0.26 0.00 -1.72 0.00 0.00 55.73 53.31 3dpb s ARG 124 Cb -0.15 -1.62 -0.09 0.00 -0.45 0.00 0.00 34.95 32.64 3dpb s ARG 124 CO 0.09 0.36 1.24 -1.54 -0.68 0.00 0.00 175.30 174.77 3dpb s SER 125 N -0.26 6.54 -0.06 0.23 1.04 -0.85 -0.84 113.70 119.50 3dpb s SER 125 Ca 0.03 2.51 -0.06 0.00 0.48 0.00 0.00 55.95 58.91 3dpb s SER 125 Cb -0.10 -2.63 -0.02 0.00 0.10 0.00 0.00 66.02 63.37 3dpb s SER 125 CO 0.01 -0.67 -0.12 -0.38 0.98 0.00 0.00 173.24 173.05 3dpb n ILE 126 N 0.31 0.61 -2.09 -1.02 2.08 -0.64 -0.84 119.36 117.77 3dpb n ILE 126 Ca 0.03 0.32 0.00 0.00 0.56 0.00 0.00 62.75 63.66 3dpb n ILE 126 Cb 0.44 -1.76 0.00 0.00 -0.75 0.00 0.00 39.64 37.57 3dpb n ILE 126 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3dpb n GLY 127 N 1.81 -0.37 3.38 7.39 0.00 -1.20 -4.49 105.19 111.71 3dpb n GLY 127 Ca -0.05 -1.54 -0.32 0.00 0.00 0.00 0.00 46.02 44.11 3dpb n GLY 127 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dpb s SER 128 N -3.77 3.57 0.29 1.61 1.04 -1.26 -1.15 113.70 114.03 3dpb s SER 128 Ca 0.00 -0.34 0.11 0.00 0.48 0.00 0.00 55.95 56.20 3dpb s SER 128 Cb 0.00 -0.78 0.40 0.00 0.10 0.00 0.00 66.02 65.74 3dpb s SER 128 CO 0.00 0.30 1.63 0.50 0.98 0.00 0.00 173.24 176.65 3dpb h LYS 129 N 5.66 0.00 0.12 4.02 3.64 -2.00 -3.23 116.57 124.78 3dpb h LYS 129 Ca -0.41 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.97 3dpb h LYS 129 Cb 1.15 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 3dpb h LYS 129 CO 0.49 0.59 -0.06 0.78 -2.27 0.00 0.00 179.45 178.98 3dpb h GLY 130 N 1.84 -0.16 0.00 5.01 0.00 -1.94 -3.50 103.07 104.32 3dpb h GLY 130 Ca -0.01 0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.38 3dpb h GLY 130 CO 0.08 -0.06 0.00 0.61 0.00 0.00 0.00 176.54 177.17 3dpb n GLY 131 N 0.01 -2.46 3.80 4.60 0.00 -1.22 -5.01 105.19 104.90 3dpb n GLY 131 Ca -0.09 -1.72 -0.27 0.00 0.00 0.00 0.00 46.02 43.94 3dpb n GLY 131 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dpb n LYS 132 N -0.26 -2.73 -2.15 1.61 5.02 -1.26 -4.90 118.16 113.48 3dpb n LYS 132 Ca 0.00 0.46 -0.42 0.00 -2.02 0.00 0.00 58.31 56.33 3dpb n LYS 132 Cb 0.00 -4.48 -0.03 0.00 -0.02 0.00 0.00 35.03 30.50 3dpb n LYS 132 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3dpb s LEU 133 N -6.71 4.32 0.61 -0.35 1.43 -1.26 -5.02 118.68 111.70 3dpb s LEU 133 Ca 0.19 2.17 -0.16 0.00 -1.03 0.00 0.00 54.13 55.30 3dpb s LEU 133 Cb -0.07 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.57 3dpb s LEU 133 CO 0.86 -0.78 1.10 0.00 0.23 0.00 0.00 176.35 177.76 3dpb s ALA 134 N 2.71 2.61 0.62 4.21 0.00 -1.26 -4.98 121.76 125.67 3dpb s ALA 134 Ca 0.66 0.58 -0.18 0.00 0.00 0.00 0.00 51.96 53.02 3dpb s ALA 134 Cb -0.33 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.47 3dpb s ALA 134 CO 0.27 -1.00 1.20 0.00 0.00 0.00 0.00 175.76 176.23 3dpb s ALA 135 N -2.22 2.47 0.00 0.00 0.00 -1.26 -4.95 121.76 115.81 3dpb s ALA 135 Ca 0.67 0.94 0.00 0.00 0.00 0.00 0.00 51.96 53.57 3dpb s ALA 135 Cb -0.20 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.48 3dpb s ALA 135 CO 0.36 -1.28 0.00 0.41 0.00 0.00 0.00 175.76 175.25 3dpb n GLY 136 N 0.38 -0.97 3.73 0.00 0.00 -1.26 -5.07 105.19 101.99 3dpb n GLY 136 Ca 0.13 -1.54 -0.38 0.00 0.00 0.00 0.00 46.02 44.23 3dpb n GLY 136 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dpb s LYS 137 N -1.78 4.32 -0.04 1.61 1.02 -1.26 -5.02 119.74 118.58 3dpb s LYS 137 Ca 0.00 0.45 0.06 0.00 0.02 0.00 0.00 55.97 56.50 3dpb s LYS 137 Cb 0.00 -3.42 -0.02 0.00 -0.52 0.00 0.00 37.83 33.87 3dpb s LYS 137 CO 0.00 0.19 -0.23 0.71 -0.92 0.00 0.00 175.35 175.10 3dpb s TYR 138 N 0.52 2.45 0.11 3.18 1.51 -1.26 -1.51 117.35 122.35 3dpb s TYR 138 Ca 0.26 -0.46 0.04 0.00 -1.01 0.00 0.00 57.07 55.89 3dpb s TYR 138 Cb -0.15 -1.56 -0.04 0.00 -0.11 0.00 0.00 41.96 40.10 3dpb s TYR 138 CO 0.10 -0.05 -0.10 0.95 -1.11 0.00 0.00 175.55 175.35 3dpb s THR 139 N -0.49 0.99 -0.03 -0.71 -4.23 -0.59 -4.82 115.64 105.76 3dpb s THR 139 Ca 0.06 -1.79 -0.10 0.00 -1.18 0.00 0.00 61.69 58.68 3dpb s THR 139 Cb -0.11 -1.54 0.02 0.00 1.34 0.00 0.00 72.50 72.20 3dpb s THR 139 CO 0.01 -0.64 0.23 -0.62 -0.54 0.00 0.00 174.62 173.05 3dpb s ASP 140 N -2.72 -0.14 -0.34 3.99 2.15 -1.26 -1.51 116.67 116.85 3dpb s ASP 140 Ca 0.09 0.12 -0.03 0.00 0.43 0.00 0.00 52.55 53.16 3dpb s ASP 140 Cb -0.00 0.34 0.06 0.00 -0.30 0.00 0.00 42.92 43.02 3dpb s ASP 140 CO -0.00 -0.30 0.08 0.00 -0.17 0.00 0.00 175.17 174.78 3dpb s ALA 141 N -0.87 2.96 -0.15 3.66 0.00 -1.26 -5.10 121.76 121.00 3dpb s ALA 141 Ca -0.10 -1.95 -0.03 0.00 0.00 0.00 0.00 51.96 49.88 3dpb s ALA 141 Cb -0.05 -2.15 -0.02 0.00 0.00 0.00 0.00 23.12 20.89 3dpb s ALA 141 CO 0.02 -1.42 -0.05 0.08 0.00 0.00 0.00 175.76 174.38 3dpb s VAL 142 N 1.27 3.73 -0.11 0.00 1.01 -1.26 -4.42 120.40 120.62 3dpb s VAL 142 Ca -0.01 -0.41 -0.14 0.00 0.00 0.00 0.00 61.98 61.42 3dpb s VAL 142 Cb -0.20 -2.63 -0.05 0.00 0.00 0.00 0.00 36.38 33.50 3dpb s VAL 142 CO -0.01 0.50 0.34 -0.89 0.00 0.00 0.00 175.10 175.04 3dpb s THR 143 N 0.38 5.24 -0.33 3.92 2.01 -0.29 -4.94 115.64 121.63 3dpb s THR 143 Ca -0.05 0.66 -0.04 0.00 0.31 0.00 0.00 61.69 62.56 3dpb s THR 143 Cb -0.14 -3.66 0.05 0.00 0.01 0.00 0.00 72.50 68.75 3dpb s THR 143 CO 0.03 0.44 0.07 -0.69 -0.69 0.00 0.00 174.62 173.78 3dpb s VAL 144 N 0.01 3.46 -0.25 3.82 1.01 -1.26 -0.70 120.40 126.49 3dpb s VAL 144 Ca 0.20 -1.26 -0.12 0.00 0.00 0.00 0.00 61.98 60.79 3dpb s VAL 144 Cb -0.14 -2.98 -0.05 0.00 0.00 0.00 0.00 36.38 33.21 3dpb s VAL 144 CO 0.07 -0.17 0.24 -0.89 0.00 0.00 0.00 175.10 174.35 3dpb s THR 145 N 1.34 5.29 -0.23 3.92 2.01 0.27 -4.96 115.64 123.28 3dpb s THR 145 Ca -0.03 0.33 -0.02 0.00 0.31 0.00 0.00 61.69 62.28 3dpb s THR 145 Cb -0.20 -3.58 0.02 0.00 0.01 0.00 0.00 72.50 68.75 3dpb s THR 145 CO 0.01 0.28 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.46 3dpb s VAL 146 N 1.40 2.87 -0.64 3.82 1.01 -1.26 -0.77 120.40 126.84 3dpb s VAL 146 Ca 0.11 -0.90 -0.22 0.00 0.00 0.00 0.00 61.98 60.97 3dpb s VAL 146 Cb -0.15 -2.40 0.08 0.00 0.00 0.00 0.00 36.38 33.92 3dpb s VAL 146 CO 0.07 0.29 0.90 -0.44 0.00 0.00 0.00 175.10 175.92 3dpb s SER 147 N 1.35 6.18 0.26 3.32 0.01 0.33 -5.02 113.70 120.14 3dpb s SER 147 Ca 0.02 -1.09 -0.30 0.00 1.31 0.00 0.00 55.95 55.90 3dpb s SER 147 Cb -0.16 -2.39 -0.10 0.00 0.21 0.00 0.00 66.02 63.59 3dpb s SER 147 CO -0.05 -1.35 1.33 0.20 0.41 0.00 0.00 173.24 173.77 3dpb s ASN 148 N 3.64 6.81 0.00 2.44 0.01 -1.26 -4.85 114.94 121.74 3dpb s ASN 148 Ca 0.20 2.56 0.03 0.00 -0.71 0.00 0.00 52.86 54.94 3dpb s ASN 148 Cb -0.19 -2.63 0.17 0.00 0.41 0.00 0.00 41.25 39.02 3dpb s ASN 148 CO 0.09 -0.56 0.65 0.00 -1.51 0.00 0.00 177.10 175.78