#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t3o n SER -8 N 0.00 0.72 0.00 0.26 2.88 -1.26 -3.28 113.62 112.94 1t3o n SER -8 Ca 0.00 0.42 0.11 0.00 -1.33 0.00 0.00 58.87 58.06 1t3o n SER -8 Cb 0.00 -0.47 0.62 0.00 -0.75 0.00 0.00 64.21 63.61 1t3o n SER -8 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1t3o n SER -7 N -2.15 0.00 0.00 -3.46 2.88 -1.26 -1.41 113.62 108.22 1t3o n SER -7 Ca 0.05 -0.75 0.14 0.00 -1.33 0.00 0.00 58.87 56.98 1t3o n SER -7 Cb 0.42 0.00 0.83 0.00 -0.75 0.00 0.00 64.21 64.72 1t3o n SER -7 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1t3o n GLY -6 N 0.40 -0.95 3.62 0.46 0.00 -1.21 -4.78 105.19 102.73 1t3o n GLY -6 Ca 0.16 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1t3o n GLY -6 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1t3o s HIS -5 N -2.00 2.02 -0.20 1.61 5.65 -0.50 -4.95 115.29 116.92 1t3o s HIS -5 Ca 0.42 0.56 -0.29 0.00 0.25 0.00 0.00 55.06 56.00 1t3o s HIS -5 Cb 0.19 -4.05 -0.00 0.00 -1.18 0.00 0.00 32.58 27.54 1t3o s HIS -5 CO 0.32 -2.92 1.15 -1.50 -0.65 0.00 0.00 174.74 171.15 1t3o s ILE -4 N 5.71 4.47 0.06 0.89 1.10 -1.26 -5.02 121.20 127.15 1t3o s ILE -4 Ca 0.74 1.78 0.03 0.00 -0.51 0.00 0.00 60.65 62.69 1t3o s ILE -4 Cb -0.24 -4.16 -0.04 0.00 0.15 0.00 0.00 42.46 38.18 1t3o s ILE -4 CO 0.31 -0.17 0.01 -1.61 -2.11 0.00 0.00 174.94 171.37 1t3o s GLU -3 N 3.37 2.67 -0.02 3.50 2.02 -1.26 -5.07 118.70 123.91 1t3o s GLU -3 Ca 0.49 -0.74 -0.30 0.00 0.02 0.00 0.00 54.97 54.45 1t3o s GLU -3 Cb -0.18 -2.61 -0.06 0.00 0.10 0.00 0.00 34.13 31.38 1t3o s GLU -3 CO 0.11 0.57 1.68 0.20 0.02 0.00 0.00 175.26 177.84 1t3o s GLY -2 N -2.04 1.54 0.16 -1.39 0.00 -1.26 -4.99 107.32 99.33 1t3o s GLY -2 Ca 0.24 1.03 0.04 0.00 0.00 0.00 0.00 44.72 46.02 1t3o s GLY -2 CO 0.16 3.05 -0.08 1.09 0.00 0.00 0.00 173.10 177.32 1t3o s ARG -1 N 3.82 1.09 -0.05 2.90 3.03 -1.26 -2.86 118.95 125.61 1t3o s ARG -1 Ca 0.75 -1.48 -0.03 0.00 2.03 0.00 0.00 55.73 57.00 1t3o s ARG -1 Cb -0.35 -0.57 0.02 0.00 -1.03 0.00 0.00 34.95 33.02 1t3o s ARG -1 CO 0.31 0.03 0.12 -3.38 -1.13 0.00 0.00 175.30 171.26 1t3o s HIS 0 N -3.38 -0.13 -0.35 5.89 -3.43 0.73 -4.70 115.29 109.91 1t3o s HIS 0 Ca 0.19 0.37 0.02 0.00 -0.80 0.00 0.00 55.06 54.83 1t3o s HIS 0 Cb 0.03 -0.02 0.10 0.00 -1.43 0.00 0.00 32.58 31.26 1t3o s HIS 0 CO 0.02 -0.10 0.08 1.41 -2.00 0.00 0.00 174.74 174.14 1t3o s MET 1 N 0.56 1.75 -0.26 -0.38 0.00 -1.26 -0.99 119.30 118.71 1t3o s MET 1 Ca -0.04 -1.79 -0.09 0.00 0.00 0.00 0.00 55.69 53.77 1t3o s MET 1 Cb -0.06 -3.30 -0.04 0.00 0.00 0.00 0.00 34.83 31.43 1t3o s MET 1 CO -0.02 -0.93 0.14 -1.17 0.00 0.00 0.00 175.02 173.03 1t3o s LEU 2 N 1.01 3.79 -0.07 4.11 1.98 0.02 -4.92 118.68 124.60 1t3o s LEU 2 Ca 0.08 -0.07 -0.21 0.00 -2.89 0.00 0.00 54.13 51.03 1t3o s LEU 2 Cb -0.20 -2.04 -0.04 0.00 0.66 0.00 0.00 46.19 44.57 1t3o s LEU 2 CO -0.06 -0.03 0.62 0.68 -1.89 0.00 0.00 176.35 175.66 1t3o s VAL 3 N 1.61 5.06 -0.08 1.68 -7.23 -1.26 -0.61 120.40 119.57 1t3o s VAL 3 Ca 0.07 1.26 0.00 0.00 -1.81 0.00 0.00 61.98 61.50 1t3o s VAL 3 Cb -0.15 -3.95 -0.03 0.00 0.56 0.00 0.00 36.38 32.80 1t3o s VAL 3 CO 0.07 0.31 -0.07 -0.76 -0.31 0.00 0.00 175.10 174.34 1t3o s LEU 4 N 0.56 3.12 -0.58 1.32 1.02 0.33 -4.49 118.68 119.95 1t3o s LEU 4 Ca 0.33 -0.07 -0.22 0.00 0.02 0.00 0.00 54.13 54.20 1t3o s LEU 4 Cb -0.17 -1.69 0.06 0.00 0.02 0.00 0.00 46.19 44.41 1t3o s LEU 4 CO 0.16 0.32 0.84 -0.94 0.02 0.00 0.00 176.35 176.75 1t3o s SER 5 N -0.56 6.23 -0.17 2.29 1.04 -1.26 -0.30 113.70 120.96 1t3o s SER 5 Ca 0.08 -0.86 -0.05 0.00 0.48 0.00 0.00 55.95 55.61 1t3o s SER 5 Cb -0.12 -2.38 0.09 0.00 0.10 0.00 0.00 66.02 63.71 1t3o s SER 5 CO 0.02 -1.21 0.32 -0.60 0.98 0.00 0.00 173.24 172.75 1t3o s ARG 6 N 3.52 0.23 -0.19 4.02 6.06 -1.10 -4.94 118.95 126.56 1t3o s ARG 6 Ca 0.21 0.74 0.15 0.00 -2.50 0.00 0.00 55.73 54.34 1t3o s ARG 6 Cb -0.17 -0.12 0.69 0.00 0.06 0.00 0.00 34.95 35.41 1t3o s ARG 6 CO 0.12 -0.37 1.61 1.63 -2.50 0.00 0.00 175.30 175.79 1t3o n LYS 7 N 5.36 4.02 0.00 5.12 4.01 -1.14 -3.88 118.16 131.64 1t3o n LYS 7 Ca -0.06 -2.98 0.11 0.00 -0.51 0.00 0.00 58.31 54.87 1t3o n LYS 7 Cb 0.50 -2.03 0.07 0.00 -0.51 0.00 0.00 35.03 33.06 1t3o n LYS 7 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 1t3o n ILE 8 N 0.35 0.00 -3.35 -0.18 5.41 -1.26 -4.94 119.36 115.39 1t3o n ILE 8 Ca 0.25 -0.18 -0.16 0.00 1.00 0.00 0.00 62.75 63.66 1t3o n ILE 8 Cb 1.02 0.98 0.00 0.00 -0.71 0.00 0.00 39.64 40.94 1t3o n ILE 8 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1t3o n ASN 9 N -0.44 -2.73 0.00 4.38 3.02 -1.25 -4.97 115.26 113.26 1t3o n ASN 9 Ca 0.09 -0.60 0.00 0.00 -0.03 0.00 0.00 54.58 54.04 1t3o n ASN 9 Cb 0.42 -0.92 0.00 0.00 -0.61 0.00 0.00 39.78 38.66 1t3o n ASN 9 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 1t3o n GLU 10 N -1.95 1.94 -3.77 3.52 0.28 -1.26 -5.14 120.64 114.26 1t3o n GLU 10 Ca -0.18 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.70 1t3o n GLU 10 Cb 0.40 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 33.14 1t3o n GLU 10 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1t3o s ALA 11 N -2.81 -0.53 -0.37 -1.84 0.00 -1.26 -4.58 121.76 110.37 1t3o s ALA 11 Ca 0.00 0.77 -0.09 0.00 0.00 0.00 0.00 51.96 52.63 1t3o s ALA 11 Cb 0.00 -0.47 0.04 0.00 0.00 0.00 0.00 23.12 22.69 1t3o s ALA 11 CO 0.00 -0.14 0.18 0.42 0.00 0.00 0.00 175.76 176.22 1t3o s ILE 12 N 0.62 4.29 -0.41 0.00 -1.09 -1.15 -4.92 121.20 118.53 1t3o s ILE 12 Ca -0.04 -1.02 -0.04 0.00 -2.23 0.00 0.00 60.65 57.32 1t3o s ILE 12 Cb -0.06 -3.44 0.11 0.00 -1.58 0.00 0.00 42.46 37.49 1t3o s ILE 12 CO -0.03 -0.26 0.22 -1.58 -1.23 0.00 0.00 174.94 172.05 1t3o s GLN 13 N 1.49 2.11 -0.28 2.79 2.00 -1.26 -0.99 119.66 125.52 1t3o s GLN 13 Ca 0.01 -1.77 -0.01 0.00 -2.00 0.00 0.00 55.36 51.58 1t3o s GLN 13 Cb -0.20 -3.62 0.04 0.00 0.80 0.00 0.00 33.01 30.03 1t3o s GLN 13 CO 0.05 -1.07 -0.04 0.96 -0.50 0.00 0.00 175.29 174.70 1t3o s ILE 14 N 1.19 2.85 0.00 -2.34 -0.00 -0.12 -4.91 121.20 117.87 1t3o s ILE 14 Ca 0.07 -1.29 0.00 0.00 -0.00 0.00 0.00 60.65 59.43 1t3o s ILE 14 Cb -0.23 -2.57 0.00 0.00 -0.00 0.00 0.00 42.46 39.66 1t3o s ILE 14 CO -0.03 0.01 0.00 0.61 -0.00 0.00 0.00 174.94 175.53 1t3o n GLY 15 N 4.62 2.24 0.00 6.27 0.00 -1.26 -3.32 105.19 113.74 1t3o n GLY 15 Ca -0.14 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1t3o n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1t3o n ALA 16 N 0.00 0.00 0.04 4.61 0.00 -1.26 -4.99 120.51 118.91 1t3o n ALA 16 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 1t3o n ALA 16 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 1t3o n ALA 16 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1t3o h ASP 17 N 0.00 0.86 -3.20 0.00 3.58 -1.91 -3.43 116.42 112.32 1t3o h ASP 17 Ca 0.00 -0.75 -0.56 0.00 0.42 0.00 0.00 57.03 56.14 1t3o h ASP 17 Cb 0.00 -0.26 -0.36 0.00 1.72 0.00 0.00 39.33 40.43 1t3o h ASP 17 CO 0.00 1.50 -0.82 -0.63 -2.88 0.00 0.00 179.24 176.41 1t3o s ILE 18 N -3.27 1.29 -0.13 2.25 -1.09 -1.21 -5.08 121.20 113.96 1t3o s ILE 18 Ca -0.10 -0.48 -0.04 0.00 -2.23 0.00 0.00 60.65 57.80 1t3o s ILE 18 Cb 0.06 -1.24 0.05 0.00 -1.58 0.00 0.00 42.46 39.76 1t3o s ILE 18 CO 0.91 0.41 0.08 -1.83 -1.23 0.00 0.00 174.94 173.28 1t3o s GLU 19 N 1.41 0.02 0.00 2.79 -1.05 -1.25 -0.94 118.70 119.68 1t3o s GLU 19 Ca 0.01 0.07 0.00 0.00 -0.15 0.00 0.00 54.97 54.90 1t3o s GLU 19 Cb -0.13 -1.40 0.00 0.00 -0.44 0.00 0.00 34.13 32.16 1t3o s GLU 19 CO -0.07 -0.56 0.00 1.55 0.95 0.00 0.00 175.26 177.13 1t3o n VAL 20 N 5.29 0.00 -3.72 1.83 3.14 -0.16 -4.96 118.33 119.74 1t3o n VAL 20 Ca -0.06 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.03 1t3o n VAL 20 Cb 0.49 0.00 -0.15 0.00 -1.06 0.00 0.00 33.84 33.13 1t3o n VAL 20 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1t3o s LYS 21 N -2.00 0.73 -0.52 1.45 1.02 -1.26 -2.95 119.74 116.21 1t3o s LYS 21 Ca 0.00 -1.13 -0.25 0.00 0.02 0.00 0.00 55.97 54.61 1t3o s LYS 21 Cb 0.00 -1.98 0.03 0.00 -0.52 0.00 0.00 37.83 35.36 1t3o s LYS 21 CO 0.00 -1.00 0.96 0.08 -0.92 0.00 0.00 175.35 174.47 1t3o s VAL 22 N 1.54 4.38 -0.27 3.17 1.01 -1.20 -4.87 120.40 124.16 1t3o s VAL 22 Ca 0.10 0.51 -0.18 0.00 0.00 0.00 0.00 61.98 62.41 1t3o s VAL 22 Cb -0.18 -4.52 -0.02 0.00 0.00 0.00 0.00 36.38 31.66 1t3o s VAL 22 CO -0.23 -1.04 0.54 -0.63 0.00 0.00 0.00 175.10 173.74 1t3o s ILE 23 N 3.98 5.04 0.39 2.22 1.01 -1.26 -0.52 121.20 132.07 1t3o s ILE 23 Ca 0.34 0.86 0.02 0.00 0.00 0.00 0.00 60.65 61.87 1t3o s ILE 23 Cb -0.11 -3.87 -0.01 0.00 0.01 0.00 0.00 42.46 38.48 1t3o s ILE 23 CO 0.22 0.03 0.07 0.00 0.00 0.00 0.00 174.94 175.27 1t3o n ALA 24 N 5.62 0.45 -2.71 9.38 0.00 -0.13 -5.00 120.51 128.11 1t3o n ALA 24 Ca -0.03 -1.87 -0.38 0.00 0.00 0.00 0.00 53.44 51.15 1t3o n ALA 24 Cb 0.49 1.16 -0.06 0.00 0.00 0.00 0.00 19.45 21.04 1t3o n ALA 24 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1t3o s VAL 25 N -2.76 5.17 -0.23 0.00 1.01 -1.26 -3.78 120.40 118.55 1t3o s VAL 25 Ca 0.11 0.95 0.12 0.00 0.00 0.00 0.00 61.98 63.15 1t3o s VAL 25 Cb 0.01 -3.82 0.44 0.00 0.00 0.00 0.00 36.38 33.01 1t3o s VAL 25 CO 0.07 0.29 1.19 1.21 0.00 0.00 0.00 175.10 177.87 1t3o n GLU 26 N 3.92 2.33 0.00 2.72 4.07 -0.98 -4.97 120.64 127.73 1t3o n GLU 26 Ca -0.07 -3.58 0.00 0.00 -0.06 0.00 0.00 57.16 53.45 1t3o n GLU 26 Cb 0.51 -1.77 0.00 0.00 -0.06 0.00 0.00 31.44 30.13 1t3o n GLU 26 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1t3o n GLY 27 N -0.77 2.14 0.08 8.31 0.00 -1.26 -2.47 105.19 111.22 1t3o n GLY 27 Ca 0.27 0.08 0.02 0.00 0.00 0.00 0.00 46.02 46.39 1t3o n GLY 27 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1t3o n ASP 28 N 4.95 1.27 -4.52 1.61 5.75 -1.26 -5.02 116.55 119.32 1t3o n ASP 28 Ca 0.00 -1.95 -0.30 0.00 -0.01 0.00 0.00 54.79 52.53 1t3o n ASP 28 Cb 0.00 -0.11 -0.11 0.00 -1.03 0.00 0.00 41.12 39.87 1t3o n ASP 28 CO 0.00 0.00 0.00 -1.58 -0.11 0.00 0.00 177.20 175.51 1t3o s GLN 29 N -0.98 1.96 -0.17 0.11 0.74 -1.03 -5.12 119.66 115.17 1t3o s GLN 29 Ca 0.06 -1.09 -0.02 0.00 0.05 0.00 0.00 55.36 54.37 1t3o s GLN 29 Cb 0.06 -2.20 -0.01 0.00 1.10 0.00 0.00 33.01 31.95 1t3o s GLN 29 CO 0.01 0.50 -0.09 0.08 -0.55 0.00 0.00 175.29 175.23 1t3o s VAL 30 N -1.14 3.18 0.05 1.34 1.01 -1.26 -2.32 120.40 121.26 1t3o s VAL 30 Ca 0.19 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.60 1t3o s VAL 30 Cb -0.11 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 1t3o s VAL 30 CO 0.11 0.49 -0.08 -1.59 0.00 0.00 0.00 175.10 174.02 1t3o s LYS 31 N 0.83 0.59 0.38 2.72 -2.85 -1.25 -2.69 119.74 117.47 1t3o s LYS 31 Ca -0.03 -0.85 0.07 0.00 -1.00 0.00 0.00 55.97 54.16 1t3o s LYS 31 Cb -0.15 -0.32 -0.00 0.00 -2.06 0.00 0.00 37.83 35.30 1t3o s LYS 31 CO 0.01 0.05 0.49 -0.48 0.10 0.00 0.00 175.35 175.51 1t3o s LEU 32 N -1.79 3.74 0.02 2.77 2.34 0.59 -0.96 118.68 125.39 1t3o s LEU 32 Ca -0.06 -0.37 -0.11 0.00 0.06 0.00 0.00 54.13 53.65 1t3o s LEU 32 Cb -0.08 -2.59 0.01 0.00 -0.56 0.00 0.00 46.19 42.97 1t3o s LEU 32 CO -0.00 -0.59 0.22 -0.83 -1.06 0.00 0.00 176.35 174.09 1t3o s GLY 33 N -4.23 -0.02 -0.16 -3.48 0.00 0.32 0.12 107.32 99.88 1t3o s GLY 33 Ca 0.49 -0.06 -0.01 0.00 0.00 0.00 0.00 44.72 45.14 1t3o s GLY 33 CO 0.31 -0.24 -0.13 -0.26 0.00 0.00 0.00 173.10 172.78 1t3o s ILE 34 N -1.92 2.88 -0.18 0.90 -4.36 0.22 -3.20 121.20 115.53 1t3o s ILE 34 Ca -0.10 -0.70 -0.01 0.00 -0.26 0.00 0.00 60.65 59.59 1t3o s ILE 34 Cb -0.04 -2.23 0.00 0.00 1.25 0.00 0.00 42.46 41.44 1t3o s ILE 34 CO -0.00 0.50 -0.14 1.51 0.24 0.00 0.00 174.94 177.06 1t3o s ASP 35 N 0.81 3.67 0.03 4.36 -4.77 -1.26 -0.80 116.67 118.71 1t3o s ASP 35 Ca -0.05 -0.51 -0.02 0.00 -3.30 0.00 0.00 52.55 48.68 1t3o s ASP 35 Cb -0.15 -1.59 -0.02 0.00 -1.09 0.00 0.00 42.92 40.07 1t3o s ASP 35 CO 0.00 0.03 0.00 0.00 0.70 0.00 0.00 175.17 175.90 1t3o s ALA 36 N 1.17 0.20 0.00 2.11 0.00 -0.16 -5.00 121.76 120.09 1t3o s ALA 36 Ca 0.01 -0.79 -0.05 0.00 0.00 0.00 0.00 51.96 51.13 1t3o s ALA 36 Cb -0.14 0.22 -0.24 0.00 0.00 0.00 0.00 23.12 22.95 1t3o s ALA 36 CO -0.05 -0.27 3.35 -0.35 0.00 0.00 0.00 175.76 178.43 1t3o n PRO 37 N 0.88 1.82 0.00 0.00 -0.04 -1.26 -0.20 135.00 136.21 1t3o n PRO 37 Ca -0.19 -0.91 0.00 0.00 -0.04 0.00 0.00 63.50 62.36 1t3o n PRO 37 Cb 0.58 -1.95 0.00 0.00 -0.04 0.00 0.00 33.50 32.09 1t3o n PRO 37 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1t3o n LYS 38 N 2.54 0.00 0.00 0.54 3.00 -1.14 -4.54 118.16 118.56 1t3o n LYS 38 Ca 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.70 1t3o n LYS 38 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.87 1t3o n LYS 38 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.40 175.01 1t3o n HIS 39 N 0.00 0.00 -4.53 5.64 1.44 -1.26 -4.59 115.22 111.92 1t3o n HIS 39 Ca 0.00 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.37 1t3o n HIS 39 Cb 0.00 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 29.99 1t3o n HIS 39 CO 0.00 0.00 0.00 0.96 -2.81 0.00 0.00 176.34 174.49 1t3o s ILE 40 N 0.00 3.79 -0.44 0.61 -0.00 -1.26 -5.08 121.20 118.82 1t3o s ILE 40 Ca 0.00 -0.42 -0.19 0.00 -0.00 0.00 0.00 60.65 60.04 1t3o s ILE 40 Cb 0.00 -2.60 0.03 0.00 -0.00 0.00 0.00 42.46 39.89 1t3o s ILE 40 CO 0.00 0.55 0.56 1.51 -0.00 0.00 0.00 174.94 177.56 1t3o s ASP 41 N -0.28 6.26 0.21 4.36 -4.77 -1.26 -5.04 116.67 116.15 1t3o s ASP 41 Ca 0.04 -0.55 -0.23 0.00 -3.30 0.00 0.00 52.55 48.51 1t3o s ASP 41 Cb -0.13 -2.28 -0.08 0.00 -1.09 0.00 0.00 42.92 39.34 1t3o s ASP 41 CO 0.02 -0.72 0.77 -0.63 0.70 0.00 0.00 175.17 175.32 1t3o s ILE 42 N 2.52 4.44 0.14 2.11 -1.09 -1.26 -5.05 121.20 123.01 1t3o s ILE 42 Ca 0.17 1.54 -0.01 0.00 -2.23 0.00 0.00 60.65 60.12 1t3o s ILE 42 Cb -0.16 -4.00 -0.04 0.00 -1.58 0.00 0.00 42.46 36.68 1t3o s ILE 42 CO 0.16 0.34 0.07 -1.00 -1.23 0.00 0.00 174.94 173.27 1t3o s HIS 43 N -1.37 0.93 0.00 3.97 3.76 -1.26 -4.74 115.29 116.57 1t3o s HIS 43 Ca 0.41 -1.26 0.00 0.00 -0.15 0.00 0.00 55.06 54.06 1t3o s HIS 43 Cb -0.20 -0.50 0.00 0.00 1.11 0.00 0.00 32.58 32.99 1t3o s HIS 43 CO 0.24 -0.54 0.00 -2.13 -0.85 0.00 0.00 174.74 171.46 1t3o n ARG 44 N -0.13 0.00 -3.75 1.40 0.63 -1.26 -5.02 116.66 108.53 1t3o n ARG 44 Ca -0.04 0.00 -0.19 0.00 -0.92 0.00 0.00 57.85 56.70 1t3o n ARG 44 Cb 0.64 -0.10 -0.17 0.00 0.45 0.00 0.00 32.46 33.28 1t3o n ARG 44 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1t3o s LYS 45 N -0.23 0.10 0.02 -0.14 2.20 -1.26 -5.02 119.74 115.41 1t3o s LYS 45 Ca 0.00 0.25 0.00 0.00 -0.36 0.00 0.00 55.97 55.86 1t3o s LYS 45 Cb 0.00 -0.54 0.00 0.00 -1.51 0.00 0.00 37.83 35.78 1t3o s LYS 45 CO 0.00 -0.27 0.00 -1.91 -0.36 0.00 0.00 175.35 172.81 1t3o n GLU 46 N 4.90 -4.00 -1.60 4.03 2.13 -1.26 -4.79 120.64 120.05 1t3o n GLU 46 Ca -0.12 3.02 -0.53 0.00 0.66 0.00 0.00 57.16 60.19 1t3o n GLU 46 Cb 0.50 -3.73 -0.06 0.00 0.27 0.00 0.00 31.44 28.42 1t3o n GLU 46 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 1t3o n ILE 47 N 1.40 0.03 1.10 6.31 -5.35 -1.26 -4.86 119.36 116.74 1t3o n ILE 47 Ca 0.00 -0.01 0.12 0.00 -0.27 0.00 0.00 62.75 62.60 1t3o n ILE 47 Cb 0.00 -0.84 0.28 0.00 -1.74 0.00 0.00 39.64 37.34 1t3o n ILE 47 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1t3o n TYR 48 N 2.79 0.00 0.00 4.28 0.18 -1.26 -4.63 117.16 118.52 1t3o n TYR 48 Ca 0.19 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.97 1t3o n TYR 48 Cb 0.18 -0.18 0.00 0.00 -0.38 0.00 0.00 39.34 38.96 1t3o n TYR 48 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1t3o n LEU 49 N -1.11 0.00 0.00 -3.48 4.77 -1.26 -4.84 117.00 111.07 1t3o n LEU 49 Ca 0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1t3o n LEU 49 Cb 0.34 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1t3o n LEU 49 CO 0.31 -0.27 0.00 0.41 -1.33 0.00 0.00 177.39 176.51 1t3o n THR 50 N -2.03 0.00 0.05 -5.08 -1.04 -1.26 -4.72 114.28 100.19 1t3o n THR 50 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.99 1t3o n THR 50 Cb 0.00 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.50 1t3o n THR 50 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1t3o h ILE 51 N 0.00 0.00 -0.00 12.58 2.04 -1.97 0.51 117.51 130.67 1t3o h ILE 51 Ca 0.00 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1t3o h ILE 51 Cb 0.00 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.08 1t3o h ILE 51 CO 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 178.15 178.03 1t3o n GLN 52 N -2.35 0.09 -0.09 2.37 10.64 -1.26 -1.61 117.38 125.16 1t3o n GLN 52 Ca -0.02 -0.02 -0.13 0.00 -1.83 0.00 0.00 57.00 55.01 1t3o n GLN 52 Cb 0.05 -1.50 -0.04 0.00 -0.86 0.00 0.00 30.24 27.89 1t3o n GLN 52 CO 0.00 0.00 0.00 1.49 -1.83 0.00 0.00 177.06 176.72 1t3o h GLU 53 N 0.05 0.64 -0.30 2.61 4.22 -1.89 0.44 114.58 120.35 1t3o h GLU 53 Ca 0.00 -0.32 -0.03 0.00 0.08 0.00 0.00 59.36 59.09 1t3o h GLU 53 Cb 0.47 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1t3o h GLU 53 CO 0.00 0.92 0.06 0.93 -2.18 0.00 0.00 179.01 178.74 1t3o h GLU 54 N 0.38 0.48 -1.14 1.92 4.39 -0.70 -3.04 114.58 116.87 1t3o h GLU 54 Ca 0.05 -0.12 -0.34 0.00 0.34 0.00 0.00 59.36 59.29 1t3o h GLU 54 Cb 0.77 -0.06 -0.18 0.00 -0.10 0.00 0.00 28.75 29.19 1t3o h GLU 54 CO 0.06 0.57 0.43 -1.71 -1.16 0.00 0.00 179.01 177.20 1t3o n ASN 55 N -4.65 4.58 -1.57 1.42 2.85 -0.63 -1.82 115.26 115.43 1t3o n ASN 55 Ca -0.02 -3.04 0.08 0.00 -0.11 0.00 0.00 54.58 51.49 1t3o n ASN 55 Cb 0.20 -0.82 0.36 0.00 1.24 0.00 0.00 39.78 40.76 1t3o n ASN 55 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 1t3o n ASN 56 N -0.27 5.09 0.00 1.20 2.85 0.13 -4.79 115.26 119.46 1t3o n ASN 56 Ca 0.36 -2.86 0.00 0.00 -0.11 0.00 0.00 54.58 51.96 1t3o n ASN 56 Cb 0.98 -0.63 0.00 0.00 1.24 0.00 0.00 39.78 41.38 1t3o n ASN 56 CO 0.00 0.00 0.00 -2.11 -2.11 0.00 0.00 177.26 173.04 1t3o n ARG 57 N 0.41 0.00 -2.72 1.20 1.85 -1.21 -5.07 116.66 111.12 1t3o n ARG 57 Ca 0.26 0.00 -0.07 0.00 -1.00 0.00 0.00 57.85 57.04 1t3o n ARG 57 Cb 1.06 0.00 0.07 0.00 -1.05 0.00 0.00 32.46 32.55 1t3o n ARG 57 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1t3o n ALA 58 N -1.09 -1.92 -1.21 2.89 0.00 -1.12 -5.16 120.51 112.91 1t3o n ALA 58 Ca 0.00 -1.07 -0.30 0.00 0.00 0.00 0.00 53.44 52.06 1t3o n ALA 58 Cb 0.00 -1.89 0.12 0.00 0.00 0.00 0.00 19.45 17.67 1t3o n ALA 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t3o s ALA 59 N 0.40 1.87 0.70 0.00 0.00 -0.75 -4.93 121.76 119.05 1t3o s ALA 59 Ca 0.27 0.11 -0.11 0.00 0.00 0.00 0.00 51.96 52.24 1t3o s ALA 59 Cb 0.25 -3.24 0.01 0.00 0.00 0.00 0.00 23.12 20.14 1t3o s ALA 59 CO -0.16 -2.09 1.06 0.00 0.00 0.00 0.00 175.76 174.57 1t3o s ALA 60 N -2.91 2.62 -0.23 0.00 0.00 -1.26 -4.95 121.76 115.04 1t3o s ALA 60 Ca 0.62 0.12 0.16 0.00 0.00 0.00 0.00 51.96 52.86 1t3o s ALA 60 Cb -0.18 -3.19 0.61 0.00 0.00 0.00 0.00 23.12 20.37 1t3o s ALA 60 CO 0.57 -1.29 1.52 1.28 0.00 0.00 0.00 175.76 177.83 1t3o n LEU 61 N -3.17 4.41 0.00 0.00 4.77 -1.25 -4.71 117.00 117.06 1t3o n LEU 61 Ca 0.08 -2.97 0.00 0.00 -0.03 0.00 0.00 56.01 53.09 1t3o n LEU 61 Cb 0.53 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1t3o n LEU 61 CO 0.55 0.67 0.00 -0.24 -1.33 0.00 0.00 177.39 177.04 1t3o n SER 62 N -0.14 0.00 -0.24 -1.43 2.88 -1.26 -4.88 113.62 108.55 1t3o n SER 62 Ca 0.23 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.83 1t3o n SER 62 Cb 0.97 0.00 0.27 0.00 -0.75 0.00 0.00 64.21 64.70 1t3o n SER 62 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1t3o n SER 63 N 0.00 0.70 -3.78 -3.46 2.88 -1.26 -4.61 113.62 104.09 1t3o n SER 63 Ca 0.00 -1.77 -0.23 0.00 -1.33 0.00 0.00 58.87 55.54 1t3o n SER 63 Cb 0.00 -0.07 -0.17 0.00 -0.75 0.00 0.00 64.21 63.22 1t3o n SER 63 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1t3o s ASP 64 N -1.28 1.60 0.00 -3.46 -1.08 -1.26 -5.07 116.67 106.12 1t3o s ASP 64 Ca 0.19 -0.10 0.00 0.00 -0.52 0.00 0.00 52.55 52.13 1t3o s ASP 64 Cb 0.10 -0.46 0.00 0.00 -1.46 0.00 0.00 42.92 41.10 1t3o s ASP 64 CO 0.15 -0.19 0.33 0.52 0.52 0.00 0.00 175.17 176.50 1t3o n VAL 65 N 5.11 0.00 -2.30 1.11 0.31 -1.26 -3.78 118.33 117.51 1t3o n VAL 65 Ca -0.08 0.65 0.01 0.00 -0.01 0.00 0.00 64.34 64.91 1t3o n VAL 65 Cb 0.50 -1.29 -0.00 0.00 -0.91 0.00 0.00 33.84 32.14 1t3o n VAL 65 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1t3o n ILE 66 N -0.82 0.00 -0.48 2.52 5.41 -1.26 -4.31 119.36 120.42 1t3o n ILE 66 Ca 0.00 -0.61 0.03 0.00 1.00 0.00 0.00 62.75 63.17 1t3o n ILE 66 Cb 0.00 0.78 -0.01 0.00 -0.71 0.00 0.00 39.64 39.71 1t3o n ILE 66 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1t3o n SER 67 N 0.30 -1.38 -4.62 4.38 2.88 -1.26 -4.83 113.62 109.09 1t3o n SER 67 Ca -0.03 0.24 -0.42 0.00 -1.33 0.00 0.00 58.87 57.33 1t3o n SER 67 Cb 0.97 -0.67 -0.04 0.00 -0.75 0.00 0.00 64.21 63.71 1t3o n SER 67 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1t3o s ALA 68 N -1.20 3.56 0.00 -1.46 0.00 -1.26 -4.57 121.76 116.84 1t3o s ALA 68 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 51.66 1t3o s ALA 68 Cb 0.00 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.78 1t3o s ALA 68 CO 0.00 -1.16 0.00 1.47 0.00 0.00 0.00 175.76 176.07 1t3o n LEU 69 N 6.23 0.00 -1.00 0.00 -0.00 -1.26 -5.02 117.00 115.96 1t3o n LEU 69 Ca 0.05 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.93 1t3o n LEU 69 Cb 0.48 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.84 1t3o n LEU 69 CO 0.51 0.00 -0.12 -1.20 -0.00 0.00 0.00 177.39 176.57 1t3o n SER 70 N 0.00 -5.18 -0.66 1.45 7.64 -1.26 -1.29 113.62 114.32 1t3o n SER 70 Ca 0.00 0.32 -0.09 0.00 1.01 0.00 0.00 58.87 60.12 1t3o n SER 70 Cb 0.00 -3.83 -0.04 0.00 -1.01 0.00 0.00 64.21 59.34 1t3o n SER 70 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1t3o n SER 71 N -0.80 -5.42 -4.51 6.43 7.64 -1.26 -4.93 113.62 110.77 1t3o n SER 71 Ca -0.13 0.21 -0.43 0.00 1.01 0.00 0.00 58.87 59.53 1t3o n SER 71 Cb 0.53 -3.68 -0.07 0.00 -1.01 0.00 0.00 64.21 59.98 1t3o n SER 71 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1t3o s GLN 72 N -2.59 3.23 -0.46 1.43 -0.21 -0.41 -5.01 119.66 115.63 1t3o s GLN 72 Ca 0.00 -0.49 -0.17 0.00 0.02 0.00 0.00 55.36 54.72 1t3o s GLN 72 Cb 0.00 -3.95 0.05 0.00 1.00 0.00 0.00 33.01 30.10 1t3o s GLN 72 CO 0.00 -0.95 0.45 -1.59 -2.12 0.00 0.00 175.29 171.08 1t3o s LYS 73 N 2.59 3.04 0.00 2.91 0.00 -1.26 -5.02 119.74 121.99 1t3o s LYS 73 Ca 0.19 -1.03 0.09 0.00 0.00 0.00 0.00 55.97 55.22 1t3o s LYS 73 Cb -0.15 -4.06 0.07 0.00 0.00 0.00 0.00 37.83 33.69 1t3o s LYS 73 CO 0.17 -0.98 0.78 1.63 0.00 0.00 0.00 175.35 176.94