#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 6.53 -0.03 0.26 7.64 -1.26 -4.54 113.62 122.22 1t3o n SER -8 Ca 0.00 -2.68 0.00 0.00 1.01 0.00 0.00 58.87 57.20 1t3o n SER -8 Cb 0.00 -1.42 0.00 0.00 -1.01 0.00 0.00 64.21 61.78 1t3o n SER -8 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1t3o n SER -7 N 2.42 0.06 -0.37 6.43 7.64 -1.26 -3.55 113.62 124.99 1t3o n SER -7 Ca 0.54 -1.89 0.00 0.00 1.01 0.00 0.00 58.87 58.53 1t3o n SER -7 Cb 0.64 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 1t3o n SER -7 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1t3o n GLY -6 N 0.42 0.86 3.61 0.23 0.00 -1.26 -4.80 105.19 104.26 1t3o n GLY -6 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.25 2.09 -0.58 1.61 5.65 -1.23 -4.95 115.29 116.64 1t3o s HIS -5 Ca 0.00 0.62 -0.28 0.00 0.25 0.00 0.00 55.06 55.65 1t3o s HIS -5 Cb 0.00 -4.12 0.02 0.00 -1.18 0.00 0.00 32.58 27.30 1t3o s HIS -5 CO 0.00 -2.65 1.34 -1.50 -0.65 0.00 0.00 174.74 171.29 1t3o s ILE -4 N 5.85 3.84 -0.75 0.89 1.10 -1.26 -4.79 121.20 126.08 1t3o s ILE -4 Ca 0.71 0.72 0.11 0.00 -0.51 0.00 0.00 60.65 61.67 1t3o s ILE -4 Cb -0.21 -4.56 0.31 0.00 0.15 0.00 0.00 42.46 38.15 1t3o s ILE -4 CO 0.31 -1.27 1.25 -1.84 -2.11 0.00 0.00 174.94 171.29 1t3o n GLU -3 N 8.66 2.88 0.00 3.50 0.28 -1.26 -4.95 120.64 129.75 1t3o n GLU -3 Ca 0.11 -2.11 0.00 0.00 -0.16 0.00 0.00 57.16 55.00 1t3o n GLU -3 Cb 0.49 -1.32 0.00 0.00 1.43 0.00 0.00 31.44 32.04 1t3o n GLU -3 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1t3o n GLY -2 N 0.29 1.45 3.86 -1.84 0.00 -1.26 -5.17 105.19 102.52 1t3o n GLY -2 Ca 0.12 0.10 -0.21 0.00 0.00 0.00 0.00 46.02 46.03 1t3o n GLY -2 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1t3o s ARG -1 N 0.00 2.64 -0.14 1.61 1.70 -1.26 -4.39 118.95 119.11 1t3o s ARG -1 Ca 0.00 -1.40 -0.01 0.00 -0.47 0.00 0.00 55.73 53.85 1t3o s ARG -1 Cb 0.00 -2.44 0.04 0.00 -0.57 0.00 0.00 34.95 31.98 1t3o s ARG -1 CO 0.00 -0.03 -0.01 -3.38 -1.08 0.00 0.00 175.30 170.79 1t3o s HIS 0 N -2.38 1.15 -0.48 5.89 -3.43 -1.20 -4.95 115.29 109.89 1t3o s HIS 0 Ca 0.44 -0.69 -0.10 0.00 -0.80 0.00 0.00 55.06 53.91 1t3o s HIS 0 Cb -0.05 -1.06 0.12 0.00 -1.43 0.00 0.00 32.58 30.16 1t3o s HIS 0 CO 0.27 -0.51 0.37 1.41 -2.00 0.00 0.00 174.74 174.28 1t3o s MET 1 N 1.82 2.56 -0.29 -0.38 0.00 -1.26 -2.56 119.30 119.19 1t3o s MET 1 Ca 0.02 -1.75 -0.12 0.00 0.00 0.00 0.00 55.69 53.85 1t3o s MET 1 Cb -0.15 -3.98 -0.04 0.00 0.00 0.00 0.00 34.83 30.66 1t3o s MET 1 CO -0.07 -1.21 0.21 -1.17 0.00 0.00 0.00 175.02 172.78 1t3o s LEU 2 N 1.40 4.11 -0.01 4.11 1.98 -0.09 -4.85 118.68 125.32 1t3o s LEU 2 Ca 0.05 -0.07 -0.29 0.00 -2.89 0.00 0.00 54.13 50.93 1t3o s LEU 2 Cb -0.27 -2.14 -0.03 0.00 0.66 0.00 0.00 46.19 44.41 1t3o s LEU 2 CO -0.00 -0.09 0.93 0.68 -1.89 0.00 0.00 176.35 175.98 1t3o s VAL 3 N 1.77 4.90 -0.13 1.68 -7.23 -1.26 -0.72 120.40 119.41 1t3o s VAL 3 Ca 0.07 1.96 -0.03 0.00 -1.81 0.00 0.00 61.98 62.17 1t3o s VAL 3 Cb -0.16 -4.27 -0.03 0.00 0.56 0.00 0.00 36.38 32.48 1t3o s VAL 3 CO 0.11 0.17 -0.03 -0.22 -0.31 0.00 0.00 175.10 174.82 1t3o s LEU 4 N 0.99 3.35 -0.54 1.32 1.98 0.39 -4.74 118.68 121.42 1t3o s LEU 4 Ca 0.50 -0.04 -0.24 0.00 -2.89 0.00 0.00 54.13 51.46 1t3o s LEU 4 Cb -0.20 -1.79 0.04 0.00 0.66 0.00 0.00 46.19 44.90 1t3o s LEU 4 CO 0.26 0.25 0.89 -0.44 -1.89 0.00 0.00 176.35 175.43 1t3o s SER 5 N -0.12 6.33 -0.14 3.68 0.01 -1.26 -1.65 113.70 120.56 1t3o s SER 5 Ca 0.03 -0.39 -0.04 0.00 1.31 0.00 0.00 55.95 56.86 1t3o s SER 5 Cb -0.13 -2.42 0.07 0.00 0.21 0.00 0.00 66.02 63.75 1t3o s SER 5 CO 0.02 -1.16 0.18 -0.60 0.41 0.00 0.00 173.24 172.09 1t3o s ARG 6 N 3.75 0.10 -0.46 12.44 6.06 -1.17 -4.98 118.95 134.68 1t3o s ARG 6 Ca 0.29 0.40 -0.02 0.00 -2.50 0.00 0.00 55.73 53.89 1t3o s ARG 6 Cb -0.13 -0.72 0.23 0.00 0.06 0.00 0.00 34.95 34.39 1t3o s ARG 6 CO 0.19 -0.46 2.23 1.63 -2.50 0.00 0.00 175.30 176.39 1t3o n LYS 7 N 5.32 2.20 0.00 5.12 4.01 -1.21 -3.49 118.16 130.11 1t3o n LYS 7 Ca -0.05 -2.24 0.00 0.00 -0.51 0.00 0.00 58.31 55.50 1t3o n LYS 7 Cb 0.50 -1.93 0.00 0.00 -0.51 0.00 0.00 35.03 33.08 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 0.18 0.00 -1.41 -0.18 2.08 -1.26 -5.00 119.36 113.78 1t3o n ILE 8 Ca 0.43 0.00 -0.14 0.00 0.56 0.00 0.00 62.75 63.60 1t3o n ILE 8 Cb 0.56 -0.09 -0.06 0.00 -0.75 0.00 0.00 39.64 39.30 1t3o n ILE 8 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1t3o n ASN 9 N -1.57 -4.99 -3.94 4.38 3.02 -1.23 -4.99 115.26 105.94 1t3o n ASN 9 Ca 0.00 0.35 -0.30 0.00 -0.03 0.00 0.00 54.58 54.60 1t3o n ASN 9 Cb 0.18 -3.72 0.24 0.00 -0.61 0.00 0.00 39.78 35.87 1t3o n ASN 9 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 1t3o s GLU 10 N -3.13 -1.14 0.08 3.52 -1.05 -1.26 -5.03 118.70 110.68 1t3o s GLU 10 Ca 0.00 0.08 0.05 0.00 -0.15 0.00 0.00 54.97 54.94 1t3o s GLU 10 Cb 0.00 -1.59 -0.04 0.00 -0.44 0.00 0.00 34.13 32.06 1t3o s GLU 10 CO 0.00 -3.69 -0.02 0.00 0.95 0.00 0.00 175.26 172.51 1t3o s ALA 11 N -2.91 3.23 -0.37 -0.84 0.00 -1.26 -4.72 121.76 114.89 1t3o s ALA 11 Ca 0.70 -1.11 -0.09 0.00 0.00 0.00 0.00 51.96 51.45 1t3o s ALA 11 Cb -0.12 -1.17 0.04 0.00 0.00 0.00 0.00 23.12 21.87 1t3o s ALA 11 CO 0.57 0.68 0.19 0.42 0.00 0.00 0.00 175.76 177.62 1t3o s ILE 12 N -1.25 4.30 -0.39 0.00 -1.09 -1.16 -4.96 121.20 116.64 1t3o s ILE 12 Ca 0.24 -1.02 0.02 0.00 -2.23 0.00 0.00 60.65 57.66 1t3o s ILE 12 Cb -0.12 -3.45 0.11 0.00 -1.58 0.00 0.00 42.46 37.43 1t3o s ILE 12 CO 0.16 -0.26 0.13 -1.58 -1.23 0.00 0.00 174.94 172.16 1t3o s GLN 13 N 1.49 1.73 -0.19 2.79 2.00 -1.26 -2.41 119.66 123.82 1t3o s GLN 13 Ca 0.01 -1.95 -0.01 0.00 -2.00 0.00 0.00 55.36 51.41 1t3o s GLN 13 Cb -0.20 -3.36 0.01 0.00 0.80 0.00 0.00 33.01 30.26 1t3o s GLN 13 CO 0.05 -1.01 -0.15 0.96 -0.50 0.00 0.00 175.29 174.64 1t3o s ILE 14 N 0.84 2.47 -1.95 -2.34 -0.00 -0.57 -4.78 121.20 114.88 1t3o s ILE 14 Ca 0.11 -0.80 0.00 0.00 -0.00 0.00 0.00 60.65 59.96 1t3o s ILE 14 Cb -0.21 -2.07 0.00 0.00 -0.00 0.00 0.00 42.46 40.18 1t3o s ILE 14 CO -0.06 0.50 0.00 0.61 -0.00 0.00 0.00 174.94 175.99 1t3o n GLY 15 N 4.68 1.68 2.53 6.27 0.00 -1.26 -1.61 105.19 117.48 1t3o n GLY 15 Ca -0.20 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.63 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 0.99 -0.31 -0.11 4.61 0.00 -1.26 -4.83 120.51 119.60 1t3o n ALA 16 Ca -0.19 0.29 -0.20 0.00 0.00 0.00 0.00 53.44 53.35 1t3o n ALA 16 Cb 0.61 -1.92 -0.09 0.00 0.00 0.00 0.00 19.45 18.05 1t3o n ALA 16 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1t3o n ASP 17 N -1.08 1.94 -4.10 0.00 2.03 -0.63 -4.99 116.55 109.72 1t3o n ASP 17 Ca -0.19 0.10 -0.29 0.00 0.52 0.00 0.00 54.79 54.93 1t3o n ASP 17 Cb 0.62 -0.52 -0.17 0.00 -0.72 0.00 0.00 41.12 40.34 1t3o n ASP 17 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1t3o s ILE 18 N -2.42 1.63 -0.06 5.18 -1.09 -1.17 -5.03 121.20 118.23 1t3o s ILE 18 Ca -0.30 -0.74 -0.02 0.00 -2.23 0.00 0.00 60.65 57.36 1t3o s ILE 18 Cb 0.10 -1.46 0.03 0.00 -1.58 0.00 0.00 42.46 39.55 1t3o s ILE 18 CO 0.44 0.47 0.03 -1.83 -1.23 0.00 0.00 174.94 172.82 1t3o s GLU 19 N 0.80 0.25 0.00 2.79 -1.05 -1.24 -1.51 118.70 118.74 1t3o s GLU 19 Ca -0.10 0.25 0.00 0.00 -0.15 0.00 0.00 54.97 54.97 1t3o s GLU 19 Cb -0.16 -0.73 0.00 0.00 -0.44 0.00 0.00 34.13 32.80 1t3o s GLU 19 CO 0.01 -0.32 0.00 1.55 0.95 0.00 0.00 175.26 177.45 1t3o n VAL 20 N 5.23 0.00 -3.74 1.83 3.14 -1.01 -4.99 118.33 118.78 1t3o n VAL 20 Ca -0.05 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.03 1t3o n VAL 20 Cb 0.50 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 -1.59 -6.46 0.00 0.00 176.83 168.78 1t3o s LYS 21 N -0.94 0.73 -0.41 1.45 0.00 -1.26 -3.01 119.74 116.29 1t3o s LYS 21 Ca 0.00 -1.05 -0.14 0.00 0.00 0.00 0.00 55.97 54.78 1t3o s LYS 21 Cb 0.00 -2.01 0.04 0.00 0.00 0.00 0.00 37.83 35.86 1t3o s LYS 21 CO 0.00 -0.97 0.29 0.14 0.00 0.00 0.00 175.35 174.82 1t3o s VAL 22 N 1.62 5.04 -0.14 1.79 -7.23 -1.23 -4.88 120.40 115.37 1t3o s VAL 22 Ca 0.09 -0.83 -0.17 0.00 -1.81 0.00 0.00 61.98 59.26 1t3o s VAL 22 Cb -0.17 -3.86 -0.04 0.00 0.56 0.00 0.00 36.38 32.86 1t3o s VAL 22 CO -0.24 -0.36 0.43 -0.63 -0.31 0.00 0.00 175.10 173.99 1t3o s ILE 23 N 1.63 5.21 0.18 -0.62 -1.09 -1.26 -0.93 121.20 124.32 1t3o s ILE 23 Ca 0.04 0.84 0.08 0.00 -2.23 0.00 0.00 60.65 59.38 1t3o s ILE 23 Cb -0.20 -3.77 -0.04 0.00 -1.58 0.00 0.00 42.46 36.86 1t3o s ILE 23 CO 0.08 0.33 -0.15 0.00 -1.23 0.00 0.00 174.94 173.97 1t3o s ALA 24 N 0.67 1.90 -0.41 9.38 0.00 -0.32 -5.00 121.76 127.98 1t3o s ALA 24 Ca 0.23 -1.53 -0.21 0.00 0.00 0.00 0.00 51.96 50.45 1t3o s ALA 24 Cb -0.15 -0.11 0.02 0.00 0.00 0.00 0.00 23.12 22.88 1t3o s ALA 24 CO 0.09 0.12 0.68 0.54 0.00 0.00 0.00 175.76 177.19 1t3o s VAL 25 N -2.53 4.80 -0.35 0.00 0.11 -1.26 -3.09 120.40 118.08 1t3o s VAL 25 Ca 0.18 0.37 -0.02 0.00 -2.93 0.00 0.00 61.98 59.58 1t3o s VAL 25 Cb -0.03 -4.19 0.18 0.00 -1.53 0.00 0.00 36.38 30.81 1t3o s VAL 25 CO 0.06 -0.53 2.21 1.21 -3.33 0.00 0.00 175.10 174.72 1t3o n GLU 26 N 6.31 1.96 0.00 1.54 4.07 0.10 -4.87 120.64 129.75 1t3o n GLU 26 Ca -0.00 -1.77 0.00 0.00 -0.06 0.00 0.00 57.16 55.32 1t3o n GLU 26 Cb 0.48 -1.76 0.00 0.00 -0.06 0.00 0.00 31.44 30.11 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 0.47 2.31 0.18 8.31 0.00 -1.26 -3.13 105.19 112.07 1t3o n GLY 27 Ca 0.35 -0.12 0.02 0.00 0.00 0.00 0.00 46.02 46.27 1t3o n GLY 27 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1t3o n ASP 28 N 4.66 0.87 -4.45 1.61 2.03 -1.26 -5.05 116.55 114.96 1t3o n ASP 28 Ca 0.00 -1.97 -0.31 0.00 0.52 0.00 0.00 54.79 53.02 1t3o n ASP 28 Cb 0.00 -0.16 -0.13 0.00 -0.72 0.00 0.00 41.12 40.11 1t3o n ASP 28 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 1t3o s GLN 29 N -0.81 2.21 -0.21 -0.67 0.74 -1.18 -5.11 119.66 114.63 1t3o s GLN 29 Ca 0.07 -0.89 -0.05 0.00 0.05 0.00 0.00 55.36 54.54 1t3o s GLN 29 Cb 0.06 -2.23 -0.02 0.00 1.10 0.00 0.00 33.01 31.91 1t3o s GLN 29 CO 0.01 0.57 0.01 0.14 -0.55 0.00 0.00 175.29 175.46 1t3o s VAL 30 N -0.84 3.97 0.03 1.34 -7.23 -1.26 0.01 120.40 116.43 1t3o s VAL 30 Ca 0.13 -0.30 0.02 0.00 -1.81 0.00 0.00 61.98 60.02 1t3o s VAL 30 Cb -0.10 -2.81 -0.02 0.00 0.56 0.00 0.00 36.38 34.00 1t3o s VAL 30 CO 0.03 0.41 -0.07 -1.59 -0.31 0.00 0.00 175.10 173.57 1t3o s LYS 31 N 1.16 0.49 0.33 4.82 -2.85 -1.18 -3.04 119.74 119.48 1t3o s LYS 31 Ca 0.03 -0.66 0.07 0.00 -1.00 0.00 0.00 55.97 54.41 1t3o s LYS 31 Cb -0.14 -0.27 -0.01 0.00 -2.06 0.00 0.00 37.83 35.34 1t3o s LYS 31 CO 0.02 0.05 0.44 -0.48 0.10 0.00 0.00 175.35 175.48 1t3o s LEU 32 N -1.35 3.92 -0.00 2.77 0.05 -0.66 -1.18 118.68 122.24 1t3o s LEU 32 Ca -0.09 -0.23 0.03 0.00 0.05 0.00 0.00 54.13 53.90 1t3o s LEU 32 Cb -0.09 -2.68 -0.01 0.00 -2.05 0.00 0.00 46.19 41.37 1t3o s LEU 32 CO 0.00 -0.42 -0.11 -0.83 -0.55 0.00 0.00 176.35 174.45 1t3o s GLY 33 N -4.15 0.54 -0.21 -3.48 0.00 -0.11 0.15 107.32 100.06 1t3o s GLY 33 Ca 0.44 -0.50 -0.17 0.00 0.00 0.00 0.00 44.72 44.50 1t3o s GLY 33 CO 0.30 -0.43 0.47 -0.26 0.00 0.00 0.00 173.10 173.18 1t3o s ILE 34 N -0.34 5.14 -0.16 0.90 -4.36 0.10 -3.50 121.20 118.99 1t3o s ILE 34 Ca 0.03 0.83 -0.00 0.00 -0.26 0.00 0.00 60.65 61.25 1t3o s ILE 34 Cb -0.05 -3.79 -0.00 0.00 1.25 0.00 0.00 42.46 39.87 1t3o s ILE 34 CO -0.00 0.19 -0.14 -0.62 0.24 0.00 0.00 174.94 174.62 1t3o s ASP 35 N 1.18 3.78 0.02 4.36 2.15 -1.26 -0.92 116.67 125.99 1t3o s ASP 35 Ca 0.21 -0.44 0.01 0.00 0.43 0.00 0.00 52.55 52.76 1t3o s ASP 35 Cb -0.15 -1.59 -0.02 0.00 -0.30 0.00 0.00 42.92 40.86 1t3o s ASP 35 CO 0.09 0.08 -0.05 0.00 -0.17 0.00 0.00 175.17 175.12 1t3o s ALA 36 N 0.87 0.36 0.00 3.66 0.00 -1.06 -5.00 121.76 120.59 1t3o s ALA 36 Ca -0.04 -0.50 -0.00 0.00 0.00 0.00 0.00 51.96 51.42 1t3o s ALA 36 Cb -0.15 0.03 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 1t3o s ALA 36 CO -0.01 -0.02 1.39 -0.35 0.00 0.00 0.00 175.76 176.77 1t3o n PRO 37 N 2.05 0.70 -1.88 0.00 -0.04 -1.26 -3.22 135.00 131.34 1t3o n PRO 37 Ca -0.19 -0.07 -0.20 0.00 -0.04 0.00 0.00 63.50 63.00 1t3o n PRO 37 Cb 0.56 -1.25 -0.06 0.00 -0.04 0.00 0.00 33.50 32.71 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 1.80 -1.46 -0.64 0.54 3.00 -1.26 -4.94 118.16 115.20 1t3o n LYS 38 Ca 0.03 1.11 -0.30 0.00 -0.00 0.00 0.00 58.31 59.15 1t3o n LYS 38 Cb 0.34 -5.55 0.27 0.00 0.00 0.00 0.00 35.03 30.09 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 -3.04 -3.83 -3.21 5.64 1.44 -1.26 -5.01 115.22 105.94 1t3o n HIS 39 Ca -0.21 -0.89 -0.37 0.00 -2.01 0.00 0.00 57.72 54.24 1t3o n HIS 39 Cb 0.66 -1.17 -0.06 0.00 0.12 0.00 0.00 29.99 29.54 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 -2.53 4.68 -0.26 0.61 -0.00 -1.26 -5.04 121.20 117.40 1t3o s ILE 40 Ca 0.68 1.19 -0.18 0.00 -0.00 0.00 0.00 60.65 62.33 1t3o s ILE 40 Cb -0.09 -3.87 -0.03 0.00 -0.00 0.00 0.00 42.46 38.47 1t3o s ILE 40 CO 0.54 0.37 0.53 1.51 -0.00 0.00 0.00 174.94 177.89 1t3o s ASP 41 N -1.43 6.45 0.34 4.36 -4.77 -1.26 -5.04 116.67 115.32 1t3o s ASP 41 Ca 0.36 0.55 -0.26 0.00 -3.30 0.00 0.00 52.55 49.90 1t3o s ASP 41 Cb -0.18 -2.29 -0.09 0.00 -1.09 0.00 0.00 42.92 39.27 1t3o s ASP 41 CO 0.20 -0.30 1.00 -0.63 0.70 0.00 0.00 175.17 176.14 1t3o s ILE 42 N 2.34 3.95 0.19 2.11 1.01 -1.26 -5.05 121.20 124.48 1t3o s ILE 42 Ca 0.22 1.64 0.01 0.00 0.00 0.00 0.00 60.65 62.52 1t3o s ILE 42 Cb -0.16 -3.92 -0.05 0.00 0.01 0.00 0.00 42.46 38.35 1t3o s ILE 42 CO 0.09 0.15 0.05 -1.00 0.00 0.00 0.00 174.94 174.23 1t3o s HIS 43 N -1.54 1.21 0.00 3.97 3.76 -1.26 -4.62 115.29 116.81 1t3o s HIS 43 Ca 0.51 -1.15 0.00 0.00 -0.15 0.00 0.00 55.06 54.27 1t3o s HIS 43 Cb -0.22 -0.68 0.00 0.00 1.11 0.00 0.00 32.58 32.79 1t3o s HIS 43 CO 0.28 -0.36 0.00 -2.13 -0.85 0.00 0.00 174.74 171.68 1t3o n ARG 44 N -0.27 0.00 0.05 1.40 0.63 -1.26 -4.97 116.66 112.24 1t3o n ARG 44 Ca -0.04 0.15 0.00 0.00 -0.92 0.00 0.00 57.85 57.05 1t3o n ARG 44 Cb 0.64 -0.59 0.00 0.00 0.45 0.00 0.00 32.46 32.96 1t3o n ARG 44 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1t3o n LYS 45 N -2.07 0.00 -2.66 -0.14 5.02 -1.26 -5.06 118.16 111.99 1t3o n LYS 45 Ca 0.00 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.07 1t3o n LYS 45 Cb 0.00 -0.42 0.08 0.00 -0.02 0.00 0.00 35.03 34.67 1t3o n LYS 45 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 1t3o s GLU 46 N -2.00 2.04 -0.13 1.97 -1.05 -1.26 -5.05 118.70 113.22 1t3o s GLU 46 Ca 0.00 -1.07 -0.29 0.00 -0.15 0.00 0.00 54.97 53.46 1t3o s GLU 46 Cb 0.00 -2.42 -0.01 0.00 -0.44 0.00 0.00 34.13 31.26 1t3o s GLU 46 CO 0.00 -1.13 1.10 0.96 0.95 0.00 0.00 175.26 177.14 1t3o s ILE 47 N -2.96 4.55 -1.05 1.83 -4.36 -1.26 -4.77 121.20 113.18 1t3o s ILE 47 Ca 0.63 1.85 0.24 0.00 -0.26 0.00 0.00 60.65 63.11 1t3o s ILE 47 Cb -0.07 -4.19 -0.02 0.00 1.25 0.00 0.00 42.46 39.43 1t3o s ILE 47 CO 0.42 -0.07 1.34 0.00 0.24 0.00 0.00 174.94 176.87 1t3o n TYR 48 N 5.64 0.00 0.00 1.37 0.18 -1.26 -4.36 117.16 118.73 1t3o n TYR 48 Ca 0.11 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.89 1t3o n TYR 48 Cb 0.47 -0.20 0.00 0.00 -0.38 0.00 0.00 39.34 39.23 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 -1.44 0.16 0.00 -3.48 4.32 -1.26 -4.88 117.00 110.41 1t3o n LEU 49 Ca 0.06 0.36 0.00 0.00 -0.02 0.00 0.00 56.01 56.41 1t3o n LEU 49 Cb 0.34 -0.47 0.00 0.00 -1.62 0.00 0.00 43.42 41.67 1t3o n LEU 49 CO 0.36 -0.47 0.00 1.07 -1.22 0.00 0.00 177.39 177.13 1t3o n THR 50 N -2.02 0.00 -0.03 -5.08 5.66 -1.26 -4.81 114.28 106.74 1t3o n THR 50 Ca 0.00 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.98 1t3o n THR 50 Cb 0.00 -0.56 -0.01 0.00 -1.55 0.00 0.00 70.33 68.21 1t3o n THR 50 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 1t3o n ILE 51 N -2.22 0.45 0.17 1.09 2.08 -1.26 -4.30 119.36 115.36 1t3o n ILE 51 Ca 0.00 0.40 0.09 0.00 0.56 0.00 0.00 62.75 63.80 1t3o n ILE 51 Cb 0.23 -1.76 0.09 0.00 -0.75 0.00 0.00 39.64 37.44 1t3o n ILE 51 CO 0.00 0.00 0.00 0.06 0.56 0.00 0.00 176.55 177.17 1t3o h GLN 52 N -0.30 0.00 -0.69 0.38 3.07 -1.87 -2.89 115.11 112.81 1t3o h GLN 52 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.72 1t3o h GLN 52 Cb 0.26 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.79 1t3o h GLN 52 CO 0.00 0.13 0.33 1.49 0.09 0.00 0.00 178.83 180.86 1t3o h GLU 53 N 0.00 0.97 0.00 0.06 4.22 -1.93 0.99 114.58 118.89 1t3o h GLU 53 Ca -0.01 -0.13 -0.09 0.00 0.08 0.00 0.00 59.36 59.21 1t3o h GLU 53 Cb 1.12 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 1t3o h GLU 53 CO 0.02 0.75 -0.42 0.93 -2.18 0.00 0.00 179.01 178.11 1t3o h GLU 54 N 0.97 0.00 -0.94 1.92 4.39 -1.73 -3.37 114.58 115.82 1t3o h GLU 54 Ca 0.24 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.58 1t3o h GLU 54 Cb 0.10 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.35 1t3o h GLU 54 CO -0.03 0.42 -1.15 0.09 -1.16 0.00 0.00 179.01 177.18 1t3o n ASN 55 N -4.01 1.71 -0.06 1.42 3.02 0.00 -4.89 115.26 112.44 1t3o n ASN 55 Ca -0.02 -2.68 -0.08 0.00 -0.03 0.00 0.00 54.58 51.78 1t3o n ASN 55 Cb 0.45 -0.52 -0.06 0.00 -0.61 0.00 0.00 39.78 39.04 1t3o n ASN 55 CO 0.00 0.00 0.00 -1.13 -2.62 0.00 0.00 177.26 173.51 1t3o h ASN 56 N 2.90 0.00 -0.47 6.41 -0.73 0.75 -2.94 115.58 121.50 1t3o h ASN 56 Ca -0.08 -0.45 -0.08 0.00 1.87 0.00 0.00 56.30 57.57 1t3o h ASN 56 Cb 1.18 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.76 1t3o h ASN 56 CO 0.47 0.80 -0.01 0.08 -0.37 0.00 0.00 177.43 178.40 1t3o h ARG 57 N -1.00 0.84 -1.66 6.67 0.11 -1.91 -3.42 114.38 114.01 1t3o h ARG 57 Ca -0.03 -0.27 -0.28 0.00 0.10 0.00 0.00 59.98 59.50 1t3o h ARG 57 Cb 0.55 -0.07 -0.27 0.00 1.11 0.00 0.00 29.97 31.28 1t3o h ARG 57 CO -0.02 0.89 -0.62 0.00 0.10 0.00 0.00 179.97 180.33 1t3o s ALA 58 N -4.99 -1.00 0.07 0.08 0.00 -1.26 -5.07 121.76 109.58 1t3o s ALA 58 Ca -0.12 -0.64 -0.31 0.00 0.00 0.00 0.00 51.96 50.89 1t3o s ALA 58 Cb 0.11 -2.26 -0.10 0.00 0.00 0.00 0.00 23.12 20.87 1t3o s ALA 58 CO 0.82 -2.17 1.93 0.00 0.00 0.00 0.00 175.76 176.33 1t3o n ALA 59 N 4.27 1.81 -2.08 0.00 0.00 -1.11 -4.71 120.51 118.69 1t3o n ALA 59 Ca 0.11 0.25 -0.01 0.00 0.00 0.00 0.00 53.44 53.79 1t3o n ALA 59 Cb 0.49 -2.65 -0.01 0.00 0.00 0.00 0.00 19.45 17.27 1t3o n ALA 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t3o n ALA 60 N 6.83 2.49 -2.51 0.00 0.00 -1.26 -5.04 120.51 121.02 1t3o n ALA 60 Ca 0.19 -0.79 -0.42 0.00 0.00 0.00 0.00 53.44 52.42 1t3o n ALA 60 Cb 0.39 -0.32 -0.10 0.00 0.00 0.00 0.00 19.45 19.42 1t3o n ALA 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1t3o s LEU 61 N 0.00 4.90 0.43 0.00 1.43 -1.26 -4.28 118.68 119.90 1t3o s LEU 61 Ca 0.06 -0.76 0.00 0.00 -1.03 0.00 0.00 54.13 52.40 1t3o s LEU 61 Cb 0.06 -2.14 0.00 0.00 0.03 0.00 0.00 46.19 44.14 1t3o s LEU 61 CO -0.03 -0.38 0.00 -1.20 0.23 0.00 0.00 176.35 174.97 1t3o n SER 62 N 5.13 -3.57 0.00 2.29 7.64 -1.26 -4.49 113.62 119.37 1t3o n SER 62 Ca -0.12 0.82 0.00 0.00 1.01 0.00 0.00 58.87 60.59 1t3o n SER 62 Cb 0.48 3.36 0.00 0.00 -1.01 0.00 0.00 64.21 67.04 1t3o n SER 62 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1t3o n SER 63 N -3.42 0.00 -4.38 6.43 7.64 -1.26 -5.05 113.62 113.59 1t3o n SER 63 Ca 0.00 0.00 -0.45 0.00 1.01 0.00 0.00 58.87 59.43 1t3o n SER 63 Cb 0.00 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.15 1t3o n SER 63 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1t3o s ASP 64 N 0.00 6.19 0.00 6.43 1.01 -1.26 -4.93 116.67 124.11 1t3o s ASP 64 Ca 0.00 -1.40 0.00 0.00 0.71 0.00 0.00 52.55 51.86 1t3o s ASP 64 Cb 0.00 -2.28 0.00 0.00 1.01 0.00 0.00 42.92 41.65 1t3o s ASP 64 CO 0.00 -1.01 0.58 0.52 0.21 0.00 0.00 175.17 175.47 1t3o n VAL 65 N 5.49 0.00 0.45 -1.27 0.31 -1.26 -4.35 118.33 117.70 1t3o n VAL 65 Ca -0.10 1.03 0.05 0.00 -0.01 0.00 0.00 64.34 65.31 1t3o n VAL 65 Cb 0.43 -1.92 0.04 0.00 -0.91 0.00 0.00 33.84 31.48 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 -1.35 0.00 0.00 2.52 5.41 -1.26 -4.92 119.36 119.76 1t3o n ILE 66 Ca 0.00 -0.49 0.00 0.00 1.00 0.00 0.00 62.75 63.26 1t3o n ILE 66 Cb 0.00 1.22 0.00 0.00 -0.71 0.00 0.00 39.64 40.15 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 0.55 0.00 -4.65 4.38 2.88 -1.26 -4.83 113.62 110.68 1t3o n SER 67 Ca 0.06 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.18 1t3o n SER 67 Cb 0.27 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.70 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 -0.13 3.51 0.00 -1.46 0.00 -1.26 -3.48 121.76 118.95 1t3o s ALA 68 Ca 0.00 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.13 1t3o s ALA 68 Cb 0.00 -3.84 0.00 0.00 0.00 0.00 0.00 23.12 19.28 1t3o s ALA 68 CO 0.00 -1.64 0.00 1.28 0.00 0.00 0.00 175.76 175.40 1t3o n LEU 69 N 7.80 0.00 -0.74 0.00 4.77 -1.26 -4.82 117.00 122.75 1t3o n LEU 69 Ca 0.20 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.20 1t3o n LEU 69 Cb 0.42 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.50 1t3o n LEU 69 CO 0.66 0.00 -0.25 -0.24 -1.33 0.00 0.00 177.39 176.23 1t3o n SER 70 N 1.76 -4.00 -3.59 -1.43 2.88 -1.23 -4.85 113.62 103.17 1t3o n SER 70 Ca 0.00 0.86 -0.27 0.00 -1.33 0.00 0.00 58.87 58.13 1t3o n SER 70 Cb 0.00 -2.02 0.02 0.00 -0.75 0.00 0.00 64.21 61.46 1t3o n SER 70 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1t3o n SER 71 N -2.27 -4.85 -4.62 -3.46 7.64 -1.26 -4.83 113.62 99.96 1t3o n SER 71 Ca -0.01 -0.57 -0.43 0.00 1.01 0.00 0.00 58.87 58.87 1t3o n SER 71 Cb 0.25 -3.91 -0.03 0.00 -1.01 0.00 0.00 64.21 59.52 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 -6.28 3.56 -0.15 1.43 -0.21 -1.26 -4.95 119.66 111.80 1t3o s GLN 72 Ca 0.53 1.98 -0.28 0.00 0.02 0.00 0.00 55.36 57.61 1t3o s GLN 72 Cb -0.26 -4.21 -0.01 0.00 1.00 0.00 0.00 33.01 29.53 1t3o s GLN 72 CO 0.65 -1.60 0.97 -1.59 -2.12 0.00 0.00 175.29 171.60 1t3o s LYS 73 N 5.39 4.36 0.00 2.91 0.00 -1.26 -5.17 119.74 125.97 1t3o s LYS 73 Ca 0.87 1.29 0.00 0.00 0.00 0.00 0.00 55.97 58.14 1t3o s LYS 73 Cb -0.32 -3.57 0.00 0.00 0.00 0.00 0.00 37.83 33.94 1t3o s LYS 73 CO 0.35 -0.38 0.32 1.63 0.00 0.00 0.00 175.35 177.27