#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x45 n SER 2 N 0.00 -5.11 -3.95 1.61 2.88 -1.26 -4.97 113.62 102.82 1x45 n SER 2 Ca 0.00 -0.39 -0.34 0.00 -1.33 0.00 0.00 58.87 56.81 1x45 n SER 2 Cb 0.00 -3.77 -0.07 0.00 -0.75 0.00 0.00 64.21 59.63 1x45 n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x45 n SER 3 N -1.77 4.16 0.00 -3.46 2.88 -1.26 -5.01 113.62 109.17 1x45 n SER 3 Ca 0.00 -3.23 0.00 0.00 -1.33 0.00 0.00 58.87 54.31 1x45 n SER 3 Cb 0.54 -0.96 0.00 0.00 -0.75 0.00 0.00 64.21 63.04 1x45 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x45 n GLY 4 N 1.89 1.24 3.57 0.46 0.00 -1.26 -5.07 105.19 106.02 1x45 n GLY 4 Ca 0.23 -0.58 -0.36 0.00 0.00 0.00 0.00 46.02 45.32 1x45 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x45 s SER 5 N 0.00 6.02 -0.76 1.61 0.01 -1.26 -4.91 113.70 114.40 1x45 s SER 5 Ca 0.00 -1.59 -0.17 0.00 1.31 0.00 0.00 55.95 55.50 1x45 s SER 5 Cb 0.00 -2.57 0.15 0.00 0.21 0.00 0.00 66.02 63.81 1x45 s SER 5 CO 0.00 -1.98 0.83 -0.44 0.41 0.00 0.00 173.24 172.05 1x45 s SER 6 N 5.73 6.51 0.00 2.44 0.01 -1.26 -4.66 113.70 122.46 1x45 s SER 6 Ca 0.58 -2.06 0.00 0.00 1.31 0.00 0.00 55.95 55.78 1x45 s SER 6 Cb -0.01 -2.29 0.00 0.00 0.21 0.00 0.00 66.02 63.94 1x45 s SER 6 CO 0.01 -0.90 0.00 0.61 0.41 0.00 0.00 173.24 173.38 1x45 n GLY 7 N 4.87 -0.64 3.68 3.44 0.00 0.18 -4.90 105.19 111.83 1x45 n GLY 7 Ca 0.07 -0.55 -0.42 0.00 0.00 0.00 0.00 46.02 45.12 1x45 n GLY 7 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1x45 s ASP 8 N -4.00 6.64 0.09 1.61 1.47 -1.26 -1.08 116.67 120.14 1x45 s ASP 8 Ca 0.00 2.39 0.10 0.00 1.18 0.00 0.00 52.55 56.22 1x45 s ASP 8 Cb 0.00 -2.56 -0.03 0.00 -0.34 0.00 0.00 42.92 39.99 1x45 s ASP 8 CO 0.00 -0.88 -0.25 -0.69 0.68 0.00 0.00 175.17 174.03 1x45 s VAL 9 N 2.91 2.09 -0.21 2.11 1.01 0.20 -4.93 120.40 123.57 1x45 s VAL 9 Ca 0.73 -1.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.16 1x45 s VAL 9 Cb -0.38 -1.83 0.06 0.00 0.00 0.00 0.00 36.38 34.24 1x45 s VAL 9 CO 0.31 0.18 -0.01 -0.36 0.00 0.00 0.00 175.10 175.22 1x45 s PHE 10 N -0.95 1.76 -0.49 5.22 0.40 -1.26 -0.23 117.98 122.42 1x45 s PHE 10 Ca 0.12 -1.33 -0.20 0.00 -0.60 0.00 0.00 56.93 54.91 1x45 s PHE 10 Cb -0.10 -1.32 0.05 0.00 0.51 0.00 0.00 43.02 42.16 1x45 s PHE 10 CO 0.04 -0.70 0.63 0.42 0.70 0.00 0.00 175.22 176.31 1x45 s ILE 11 N 1.61 4.85 -0.42 0.64 -1.09 -0.34 -4.93 121.20 121.53 1x45 s ILE 11 Ca -0.04 -0.30 -0.20 0.00 -2.23 0.00 0.00 60.65 57.88 1x45 s ILE 11 Cb -0.18 -4.27 0.02 0.00 -1.58 0.00 0.00 42.46 36.45 1x45 s ILE 11 CO -0.07 -0.75 0.62 -1.61 -1.23 0.00 0.00 174.94 171.91 1x45 s GLU 12 N 2.71 3.34 0.22 2.79 2.02 -1.26 -2.49 118.70 126.03 1x45 s GLU 12 Ca 0.17 -0.32 0.03 0.00 0.02 0.00 0.00 54.97 54.86 1x45 s GLU 12 Cb -0.17 -3.93 -0.01 0.00 0.10 0.00 0.00 34.13 30.12 1x45 s GLU 12 CO 0.14 -0.95 0.09 0.36 0.02 0.00 0.00 175.26 174.93 1x45 n LYS 13 N 6.17 0.64 -4.03 1.61 2.85 -0.01 -4.93 118.16 120.47 1x45 n LYS 13 Ca -0.02 -1.88 -0.35 0.00 -1.05 0.00 0.00 58.31 55.01 1x45 n LYS 13 Cb 0.48 1.11 -0.08 0.00 -0.65 0.00 0.00 35.03 35.89 1x45 n LYS 13 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1x45 s GLN 14 N -2.83 3.61 0.54 -1.58 -0.21 -1.26 -4.41 119.66 113.52 1x45 s GLN 14 Ca 0.13 -0.28 -0.21 0.00 0.02 0.00 0.00 55.36 55.02 1x45 s GLN 14 Cb 0.01 -3.13 -0.07 0.00 1.00 0.00 0.00 33.01 30.82 1x45 s GLN 14 CO 0.09 0.52 1.00 1.63 -2.12 0.00 0.00 175.29 176.42 1x45 n LYS 15 N 2.76 1.13 0.00 2.91 5.02 -1.26 -2.26 118.16 126.46 1x45 n LYS 15 Ca -0.18 0.42 0.00 0.00 -2.02 0.00 0.00 58.31 56.53 1x45 n LYS 15 Cb 0.53 -2.16 0.00 0.00 -0.02 0.00 0.00 35.03 33.39 1x45 n LYS 15 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x45 n GLY 16 N 1.21 3.26 3.95 0.72 0.00 0.72 -5.02 105.19 110.04 1x45 n GLY 16 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 1x45 n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x45 s GLU 17 N -0.56 3.47 0.63 1.61 0.41 -0.96 -5.00 118.70 118.31 1x45 s GLU 17 Ca 0.00 -0.55 -0.05 0.00 -0.41 0.00 0.00 54.97 53.96 1x45 s GLU 17 Cb 0.00 -2.83 0.04 0.00 -1.78 0.00 0.00 34.13 29.55 1x45 s GLU 17 CO 0.00 0.37 0.93 0.96 -0.49 0.00 0.00 175.26 177.02 1x45 s ILE 18 N -2.01 2.86 -2.00 -1.63 -4.36 -1.26 -4.26 121.20 108.54 1x45 s ILE 18 Ca 0.36 -0.25 0.17 0.00 -0.26 0.00 0.00 60.65 60.67 1x45 s ILE 18 Cb -0.10 -3.17 0.48 0.00 1.25 0.00 0.00 42.46 40.92 1x45 s ILE 18 CO 0.31 -0.17 1.43 -0.11 0.24 0.00 0.00 174.94 176.64 1x45 n LEU 19 N -2.68 0.00 -3.95 0.37 7.94 -1.26 -4.51 117.00 112.90 1x45 n LEU 19 Ca 0.07 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.67 1x45 n LEU 19 Cb 0.59 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.51 1x45 n LEU 19 CO 0.51 0.00 -0.26 0.61 -1.11 0.00 0.00 177.39 177.14 1x45 n GLY 20 N 0.21 -0.35 3.43 -3.96 0.00 -1.26 -3.38 105.19 99.88 1x45 n GLY 20 Ca 0.13 0.19 -0.13 0.00 0.00 0.00 0.00 46.02 46.21 1x45 n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x45 s VAL 21 N -3.98 -0.00 -0.05 1.61 0.11 -1.26 -2.03 120.40 114.81 1x45 s VAL 21 Ca 0.18 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.21 1x45 s VAL 21 Cb -0.10 -0.74 -0.04 0.00 -1.53 0.00 0.00 36.38 33.97 1x45 s VAL 21 CO 0.76 0.00 0.08 -0.69 -3.33 0.00 0.00 175.10 171.92 1x45 s VAL 22 N 0.36 4.83 0.08 2.04 1.01 0.71 -5.00 120.40 124.43 1x45 s VAL 22 Ca -0.01 -0.23 0.06 0.00 0.00 0.00 0.00 61.98 61.80 1x45 s VAL 22 Cb -0.04 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 1x45 s VAL 22 CO -0.00 0.46 -0.17 0.27 0.00 0.00 0.00 175.10 175.66 1x45 s ILE 23 N -1.10 1.36 0.24 2.22 -4.36 -1.26 -0.37 121.20 117.93 1x45 s ILE 23 Ca 0.19 -1.41 0.01 0.00 -0.26 0.00 0.00 60.65 59.18 1x45 s ILE 23 Cb -0.12 -1.28 -0.04 0.00 1.25 0.00 0.00 42.46 42.28 1x45 s ILE 23 CO 0.10 -0.16 0.16 0.68 0.24 0.00 0.00 174.94 175.95 1x45 s VAL 24 N -1.25 0.04 0.06 8.37 -7.23 0.61 -4.79 120.40 116.21 1x45 s VAL 24 Ca 0.02 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 57.88 1x45 s VAL 24 Cb -0.10 -2.51 -0.08 0.00 0.56 0.00 0.00 36.38 34.25 1x45 s VAL 24 CO 0.03 0.00 1.67 -1.61 -0.31 0.00 0.00 175.10 174.88 1x45 s GLU 25 N -3.98 4.19 -0.12 4.82 2.02 -1.26 -0.99 118.70 123.38 1x45 s GLU 25 Ca 0.39 2.34 0.01 0.00 0.02 0.00 0.00 54.97 57.73 1x45 s GLU 25 Cb 0.06 -3.65 0.16 0.00 0.10 0.00 0.00 34.13 30.80 1x45 s GLU 25 CO 0.16 -0.76 1.36 0.43 0.02 0.00 0.00 175.26 176.47 1x45 n SER 26 N 5.80 3.63 0.00 -0.19 7.64 -1.26 -4.29 113.62 124.95 1x45 n SER 26 Ca 0.16 -2.46 0.09 0.00 1.01 0.00 0.00 58.87 57.66 1x45 n SER 26 Cb 0.41 -0.67 0.48 0.00 -1.01 0.00 0.00 64.21 63.41 1x45 n SER 26 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x45 n GLY 27 N 0.21 -0.70 3.55 0.23 0.00 -1.26 -4.29 105.19 102.93 1x45 n GLY 27 Ca 0.15 -0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 1x45 n GLY 27 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1x45 s TRP 28 N -2.29 2.07 -0.55 1.61 0.52 -1.26 -4.36 118.94 114.67 1x45 s TRP 28 Ca 0.21 0.26 -0.09 0.00 0.02 0.00 0.00 56.10 56.50 1x45 s TRP 28 Cb 0.12 -4.43 0.01 0.00 -1.15 0.00 0.00 33.47 28.02 1x45 s TRP 28 CO 0.23 -2.15 0.48 0.41 0.02 0.00 0.00 176.95 175.94 1x45 n GLY 29 N 5.48 -0.66 3.19 0.98 0.00 -1.26 -4.93 105.19 107.99 1x45 n GLY 29 Ca 0.09 0.60 -0.09 0.00 0.00 0.00 0.00 46.02 46.62 1x45 n GLY 29 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x45 s SER 30 N -2.26 0.13 -0.16 1.61 0.01 -1.26 -4.59 113.70 107.17 1x45 s SER 30 Ca 0.09 -0.61 -0.25 0.00 1.31 0.00 0.00 55.95 56.49 1x45 s SER 30 Cb -0.01 0.31 -0.22 0.00 0.21 0.00 0.00 66.02 66.31 1x45 s SER 30 CO 0.69 -0.67 0.53 0.40 0.41 0.00 0.00 173.24 174.59 1x45 h ILE 31 N 2.97 1.38 -3.55 1.44 5.03 -1.93 -3.42 117.51 119.43 1x45 h ILE 31 Ca -0.34 -2.21 -0.72 0.00 -0.12 0.00 0.00 64.86 61.47 1x45 h ILE 31 Cb 1.19 2.79 -0.32 0.00 -3.03 0.00 0.00 36.82 37.45 1x45 h ILE 31 CO 0.55 0.47 -0.29 -0.76 -0.68 0.00 0.00 178.15 177.44 1x45 s LEU 32 N -8.11 5.66 -1.10 1.44 2.01 -1.26 -5.02 118.68 112.31 1x45 s LEU 32 Ca -0.22 -2.56 -0.23 0.00 0.01 0.00 0.00 54.13 51.13 1x45 s LEU 32 Cb 0.00 -1.96 -0.08 0.00 0.01 0.00 0.00 46.19 44.17 1x45 s LEU 32 CO 0.62 -0.49 1.94 -2.16 1.01 0.00 0.00 176.35 177.26 1x45 s PRO 33 N 0.38 2.51 0.00 1.29 0.04 -1.26 -4.66 135.00 133.29 1x45 s PRO 33 Ca 0.14 -0.89 0.00 0.00 0.04 0.00 0.00 61.00 60.29 1x45 s PRO 33 Cb -0.20 -5.19 0.00 0.00 0.04 0.00 0.00 34.50 29.16 1x45 s PRO 33 CO -0.04 -3.80 0.00 0.25 0.04 0.00 0.00 177.00 173.45 1x45 n THR 34 N 7.83 0.00 -3.64 1.26 -2.24 -1.26 -4.06 114.28 112.17 1x45 n THR 34 Ca 0.43 0.16 -0.05 0.00 -2.27 0.00 0.00 64.05 62.33 1x45 n THR 34 Cb 0.47 -1.09 -0.07 0.00 -2.10 0.00 0.00 70.33 67.54 1x45 n THR 34 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1x45 s VAL 35 N -0.41 0.00 0.10 2.28 -7.23 -1.26 -4.39 120.40 109.49 1x45 s VAL 35 Ca 0.00 0.00 0.06 0.00 -1.81 0.00 0.00 61.98 60.23 1x45 s VAL 35 Cb 0.00 -1.00 -0.03 0.00 0.56 0.00 0.00 36.38 35.91 1x45 s VAL 35 CO 0.00 0.00 -0.14 0.27 -0.31 0.00 0.00 175.10 174.92 1x45 s ILE 36 N 0.05 1.25 -0.14 -0.62 -4.36 -0.16 -0.43 121.20 116.78 1x45 s ILE 36 Ca 0.06 -1.56 -0.29 0.00 -0.26 0.00 0.00 60.65 58.60 1x45 s ILE 36 Cb -0.05 -1.37 -0.04 0.00 1.25 0.00 0.00 42.46 42.25 1x45 s ILE 36 CO -0.13 -0.34 1.70 -0.63 0.24 0.00 0.00 174.94 175.78 1x45 s ILE 37 N -1.81 3.56 -0.13 8.37 1.09 -0.68 -0.28 121.20 131.31 1x45 s ILE 37 Ca 0.05 0.64 0.18 0.00 -1.10 0.00 0.00 60.65 60.42 1x45 s ILE 37 Cb -0.07 -3.52 -0.14 0.00 -1.06 0.00 0.00 42.46 37.67 1x45 s ILE 37 CO 0.03 -0.17 0.78 0.00 -0.10 0.00 0.00 174.94 175.47 1x45 n ALA 38 N 8.18 2.01 -3.58 9.38 0.00 0.50 -2.47 120.51 134.53 1x45 n ALA 38 Ca 0.19 -0.56 -0.08 0.00 0.00 0.00 0.00 53.44 53.00 1x45 n ALA 38 Cb 0.44 -0.91 -0.04 0.00 0.00 0.00 0.00 19.45 18.94 1x45 n ALA 38 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1x45 s ASN 39 N -5.64 -0.27 -0.03 0.00 2.47 -1.23 -4.99 114.94 105.26 1x45 s ASN 39 Ca -0.03 0.21 0.07 0.00 0.42 0.00 0.00 52.86 53.53 1x45 s ASN 39 Cb 0.09 0.24 -0.02 0.00 -1.45 0.00 0.00 41.25 40.11 1x45 s ASN 39 CO 0.82 -0.31 -0.25 -0.04 -3.72 0.00 0.00 177.10 173.60 1x45 s MET 40 N -1.59 2.17 0.75 0.43 -1.94 -1.26 -0.21 119.30 117.65 1x45 s MET 40 Ca 0.03 -0.90 -0.14 0.00 -1.71 0.00 0.00 55.69 52.96 1x45 s MET 40 Cb -0.01 -2.08 0.05 0.00 2.01 0.00 0.00 34.83 34.80 1x45 s MET 40 CO -0.03 0.56 1.19 1.41 -0.01 0.00 0.00 175.02 178.14 1x45 s MET 41 N -0.60 2.06 -1.33 2.03 1.75 -0.86 -4.90 119.30 117.45 1x45 s MET 41 Ca 0.09 1.69 -0.11 0.00 -1.25 0.00 0.00 55.69 56.11 1x45 s MET 41 Cb -0.10 -1.83 0.13 0.00 2.84 0.00 0.00 34.83 35.86 1x45 s MET 41 CO -0.01 -1.88 1.95 0.72 -0.65 0.00 0.00 175.02 175.16 1x45 n HIS 42 N -2.90 3.31 0.00 4.11 -0.00 -1.26 -3.59 115.22 114.89 1x45 n HIS 42 Ca 0.13 -2.88 0.00 0.00 -0.00 0.00 0.00 57.72 54.96 1x45 n HIS 42 Cb 0.51 -2.17 0.00 0.00 -0.00 0.00 0.00 29.99 28.32 1x45 n HIS 42 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1x45 n GLY 43 N 3.37 0.93 3.89 -1.41 0.00 -1.26 -5.15 105.19 105.55 1x45 n GLY 43 Ca 0.44 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.19 1x45 n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x45 n GLY 44 N 0.00 -0.60 0.26 -0.02 0.00 -1.24 -4.92 105.19 98.67 1x45 n GLY 44 Ca 0.00 -1.85 -0.13 0.00 0.00 0.00 0.00 46.02 44.04 1x45 n GLY 44 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x45 h PRO 45 N 0.00 0.90 -0.38 1.61 0.13 -1.79 -2.26 132.00 130.21 1x45 h PRO 45 Ca -0.39 -0.47 -0.12 0.00 -0.87 0.00 0.00 66.00 64.15 1x45 h PRO 45 Cb 1.21 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1x45 h PRO 45 CO 0.33 1.12 -0.24 0.00 -0.23 0.00 0.00 178.00 178.97 1x45 h ALA 46 N 0.76 0.85 -0.18 -0.56 0.00 -1.76 0.53 119.26 118.90 1x45 h ALA 46 Ca 0.06 -0.38 -0.13 0.00 0.00 0.00 0.00 54.91 54.46 1x45 h ALA 46 Cb 0.95 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1x45 h ALA 46 CO 0.09 0.64 -0.43 1.49 0.00 0.00 0.00 179.25 181.03 1x45 h GLU 47 N 0.68 0.42 0.07 0.00 4.57 -1.77 -2.92 114.58 115.63 1x45 h GLU 47 Ca 0.09 -0.22 -0.28 0.00 -1.18 0.00 0.00 59.36 57.77 1x45 h GLU 47 Cb 0.76 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.34 1x45 h GLU 47 CO 0.06 0.78 -1.46 0.87 -1.18 0.00 0.00 179.01 178.09 1x45 h LYS 48 N 0.35 0.15 -0.91 1.92 1.57 -1.24 -3.33 116.57 115.08 1x45 h LYS 48 Ca 0.03 -0.26 0.05 0.00 -1.87 0.00 0.00 60.65 58.59 1x45 h LYS 48 Cb 0.91 0.10 -0.06 0.00 0.08 0.00 0.00 32.23 33.25 1x45 h LYS 48 CO 0.08 0.98 0.58 0.66 -0.57 0.00 0.00 179.45 181.18 1x45 h SER 49 N 0.04 0.94 -0.78 0.86 4.64 0.10 -3.46 113.55 115.89 1x45 h SER 49 Ca -0.20 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.78 1x45 h SER 49 Cb 1.96 -0.20 -0.13 0.00 -0.31 0.00 0.00 62.40 63.72 1x45 h SER 49 CO 0.14 0.63 -0.31 0.61 -0.87 0.00 0.00 176.83 177.03 1x45 n GLY 50 N -1.34 1.62 0.11 -0.77 0.00 -1.11 -4.84 105.19 98.86 1x45 n GLY 50 Ca 0.13 -0.12 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 1x45 n GLY 50 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x45 h LYS 51 N 0.01 0.00 0.00 1.61 1.79 -1.89 -3.47 116.57 114.62 1x45 h LYS 51 Ca -0.34 0.00 -0.48 0.00 -2.18 0.00 0.00 60.65 57.65 1x45 h LYS 51 Cb 1.17 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.75 1x45 h LYS 51 CO 0.49 0.53 -0.30 1.47 -1.08 0.00 0.00 179.45 180.57 1x45 n LEU 52 N -3.14 0.00 -3.61 2.94 -0.00 -1.26 -4.66 117.00 107.26 1x45 n LEU 52 Ca -0.02 -2.34 -0.16 0.00 -0.00 0.00 0.00 56.01 53.48 1x45 n LEU 52 Cb 0.81 0.13 -0.07 0.00 -0.00 0.00 0.00 43.42 44.29 1x45 n LEU 52 CO 0.43 -0.43 0.28 0.20 -0.00 0.00 0.00 177.39 177.87 1x45 s ASN 53 N -3.31 -0.48 -0.48 1.45 0.01 -1.26 -5.05 114.94 105.81 1x45 s ASN 53 Ca 0.11 0.48 -0.30 0.00 -0.71 0.00 0.00 52.86 52.43 1x45 s ASN 53 Cb -0.01 0.45 -0.11 0.00 0.41 0.00 0.00 41.25 42.00 1x45 s ASN 53 CO 0.07 -0.55 2.35 -0.38 -1.51 0.00 0.00 177.10 177.09 1x45 n ILE 54 N 1.05 0.09 0.00 0.60 2.08 -1.26 -0.55 119.36 121.37 1x45 n ILE 54 Ca -0.20 -0.43 0.00 0.00 0.56 0.00 0.00 62.75 62.68 1x45 n ILE 54 Cb 0.57 -1.98 0.00 0.00 -0.75 0.00 0.00 39.64 37.48 1x45 n ILE 54 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1x45 n GLY 55 N 6.26 1.80 3.77 7.39 0.00 -1.03 -5.01 105.19 118.36 1x45 n GLY 55 Ca 0.42 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.06 1x45 n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1x45 s ASP 56 N -1.44 6.55 0.13 1.61 1.11 0.29 -3.40 116.67 121.52 1x45 s ASP 56 Ca 0.00 2.28 0.05 0.00 0.18 0.00 0.00 52.55 55.06 1x45 s ASP 56 Cb 0.00 -2.61 -0.04 0.00 1.07 0.00 0.00 42.92 41.34 1x45 s ASP 56 CO 0.00 -0.65 0.07 0.00 1.18 0.00 0.00 175.17 175.77 1x45 s GLN 57 N -2.35 2.72 -0.45 8.23 -2.07 -0.87 -1.69 119.66 123.19 1x45 s GLN 57 Ca 0.57 -0.88 -0.15 0.00 -1.82 0.00 0.00 55.36 53.09 1x45 s GLN 57 Cb -0.29 -2.58 0.06 0.00 -1.09 0.00 0.00 33.01 29.11 1x45 s GLN 57 CO 0.36 0.51 0.37 0.42 -1.32 0.00 0.00 175.29 175.63 1x45 s ILE 58 N -1.58 5.24 0.28 3.63 1.01 0.42 0.15 121.20 130.35 1x45 s ILE 58 Ca 0.29 -0.94 -0.03 0.00 0.00 0.00 0.00 60.65 59.97 1x45 s ILE 58 Cb -0.11 -4.07 0.27 0.00 0.01 0.00 0.00 42.46 38.56 1x45 s ILE 58 CO 0.21 -0.50 1.93 0.24 0.00 0.00 0.00 174.94 176.82 1x45 h MET 59 N 8.72 1.17 -2.58 2.79 2.86 0.11 -3.41 114.93 124.58 1x45 h MET 59 Ca -0.28 -0.07 0.12 0.00 -2.06 0.00 0.00 59.70 57.41 1x45 h MET 59 Cb 1.11 -0.26 -0.09 0.00 0.06 0.00 0.00 31.60 32.42 1x45 h MET 59 CO 0.84 0.77 0.39 -1.54 1.06 0.00 0.00 176.91 178.42 1x45 s SER 60 N -6.12 -0.27 -0.29 1.22 1.04 -1.21 -3.38 113.70 104.69 1x45 s SER 60 Ca -0.12 -0.36 0.02 0.00 0.48 0.00 0.00 55.95 55.97 1x45 s SER 60 Cb 0.19 0.55 0.08 0.00 0.10 0.00 0.00 66.02 66.94 1x45 s SER 60 CO 0.81 -0.99 0.00 -0.63 0.98 0.00 0.00 173.24 173.41 1x45 s ILE 61 N -3.48 1.79 -1.74 -1.02 1.01 -0.24 -1.13 121.20 116.40 1x45 s ILE 61 Ca 0.10 -1.72 0.00 0.00 0.00 0.00 0.00 60.65 59.02 1x45 s ILE 61 Cb -0.03 -2.17 0.00 0.00 0.01 0.00 0.00 42.46 40.27 1x45 s ILE 61 CO 0.00 -0.37 0.00 0.59 0.00 0.00 0.00 174.94 175.17 1x45 n ASN 62 N 4.51 -5.53 0.00 3.58 3.02 0.40 -1.70 115.26 119.55 1x45 n ASN 62 Ca -0.05 0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 1x45 n ASN 62 Cb 0.43 -4.60 0.00 0.00 -0.61 0.00 0.00 39.78 35.00 1x45 n ASN 62 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x45 n GLY 63 N -0.94 0.91 3.20 7.41 0.00 -1.26 -5.03 105.19 109.48 1x45 n GLY 63 Ca -0.22 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 1x45 n GLY 63 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x45 s THR 64 N -2.00 3.74 0.28 2.61 2.01 -0.69 -5.07 115.64 116.52 1x45 s THR 64 Ca 0.00 -1.64 -0.30 0.00 0.31 0.00 0.00 61.69 60.06 1x45 s THR 64 Cb 0.00 -3.36 -0.11 0.00 0.01 0.00 0.00 72.50 69.04 1x45 s THR 64 CO 0.00 -0.52 1.56 -0.44 -0.69 0.00 0.00 174.62 174.53 1x45 s SER 65 N 1.93 6.43 0.00 3.53 0.01 -1.26 -1.08 113.70 123.26 1x45 s SER 65 Ca 0.04 2.89 0.14 0.00 1.31 0.00 0.00 55.95 60.33 1x45 s SER 65 Cb -0.23 -2.63 0.11 0.00 0.21 0.00 0.00 66.02 63.48 1x45 s SER 65 CO -0.01 -0.87 0.94 0.18 0.41 0.00 0.00 173.24 173.89 1x45 n LEU 66 N 2.23 2.16 -4.65 2.44 4.77 -1.22 -4.93 117.00 117.80 1x45 n LEU 66 Ca 0.08 -1.00 -0.43 0.00 -0.03 0.00 0.00 56.01 54.63 1x45 n LEU 66 Cb 0.38 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.44 1x45 n LEU 66 CO 0.63 0.39 1.63 0.52 -1.33 0.00 0.00 177.39 179.23 1x45 n VAL 67 N 0.78 0.69 0.00 4.08 0.31 -1.26 -0.86 118.33 122.08 1x45 n VAL 67 Ca 0.08 -0.18 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1x45 n VAL 67 Cb 0.35 -2.30 0.00 0.00 -0.91 0.00 0.00 33.84 30.98 1x45 n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1x45 n GLY 68 N 4.72 2.36 3.77 2.92 0.00 -1.26 -5.05 105.19 112.65 1x45 n GLY 68 Ca 0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 1x45 n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x45 s LEU 69 N 0.00 4.40 0.75 0.99 1.43 -0.04 -5.04 118.68 121.18 1x45 s LEU 69 Ca 0.00 2.00 -0.11 0.00 -1.03 0.00 0.00 54.13 54.98 1x45 s LEU 69 Cb 0.00 -3.89 0.05 0.00 0.03 0.00 0.00 46.19 42.38 1x45 s LEU 69 CO 0.00 -0.13 1.09 -2.16 0.23 0.00 0.00 176.35 175.38 1x45 s PRO 70 N -1.85 2.35 0.40 1.29 0.04 -1.26 -4.77 135.00 131.21 1x45 s PRO 70 Ca 0.49 1.21 0.10 0.00 0.04 0.00 0.00 61.00 62.83 1x45 s PRO 70 Cb -0.24 -1.91 0.89 0.00 0.04 0.00 0.00 34.50 33.29 1x45 s PRO 70 CO 0.30 -1.58 1.99 1.25 0.04 0.00 0.00 177.00 179.00 1x45 h LEU 71 N -0.92 0.49 -0.34 -3.56 5.85 -1.96 -0.75 115.31 114.12 1x45 h LEU 71 Ca -0.44 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.19 1x45 h LEU 71 Cb 1.23 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 1x45 h LEU 71 CO 0.52 0.32 -0.16 -1.28 -0.34 0.00 0.00 178.44 177.49 1x45 h SER 72 N 0.56 0.72 0.65 1.25 0.87 -1.99 -2.39 113.55 113.22 1x45 h SER 72 Ca 0.26 -0.41 -0.03 0.00 -1.23 0.00 0.00 61.79 60.39 1x45 h SER 72 Cb 0.32 -0.20 0.01 0.00 -0.44 0.00 0.00 62.40 62.09 1x45 h SER 72 CO -0.08 0.97 -0.31 0.74 -0.53 0.00 0.00 176.83 177.62 1x45 h THR 73 N 0.48 0.13 -0.77 2.23 2.02 -1.70 -2.59 112.91 112.71 1x45 h THR 73 Ca 0.08 -0.33 0.18 0.00 0.77 0.00 0.00 66.41 67.10 1x45 h THR 73 Cb 0.70 0.18 -0.12 0.00 -1.74 0.00 0.00 68.15 67.17 1x45 h THR 73 CO 0.05 0.02 0.16 0.00 0.37 0.00 0.00 175.52 176.12 1x45 h GLN 75 N 0.23 0.61 0.24 0.00 4.20 -1.42 -2.71 115.11 116.27 1x45 h GLN 75 Ca 0.44 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 59.12 1x45 h GLN 75 Cb 0.79 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.41 1x45 h GLN 75 CO -0.56 0.40 -0.25 1.03 -0.67 0.00 0.00 178.83 178.78 1x45 h SER 76 N 0.63 -0.67 -0.08 1.46 0.87 -0.42 -0.51 113.55 114.84 1x45 h SER 76 Ca 0.29 0.06 0.02 0.00 -1.23 0.00 0.00 61.79 60.93 1x45 h SER 76 Cb 0.19 0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.38 1x45 h SER 76 CO -0.19 -0.36 0.46 0.40 -0.53 0.00 0.00 176.83 176.62 1x45 h ILE 77 N -0.52 0.05 0.00 2.23 2.04 -1.10 0.89 117.51 121.09 1x45 h ILE 77 Ca -0.00 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.78 1x45 h ILE 77 Cb 0.49 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1x45 h ILE 77 CO -0.06 0.00 -1.45 -0.38 0.00 0.00 0.00 178.15 176.25 1x45 n ILE 78 N -2.95 0.69 0.19 -0.67 5.41 -0.32 -4.02 119.36 117.68 1x45 n ILE 78 Ca 0.00 -0.60 0.06 0.00 1.00 0.00 0.00 62.75 63.21 1x45 n ILE 78 Cb 0.53 -0.38 0.31 0.00 -0.71 0.00 0.00 39.64 39.38 1x45 n ILE 78 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1x45 h LYS 79 N 0.00 0.00 -1.01 0.38 1.57 0.21 -3.08 116.57 114.63 1x45 h LYS 79 Ca -0.09 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.43 1x45 h LYS 79 Cb 1.25 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.40 1x45 h LYS 79 CO 0.02 0.36 0.34 0.41 -0.57 0.00 0.00 179.45 180.01 1x45 n GLY 80 N 0.39 3.31 0.00 3.86 0.00 -0.99 -3.76 105.19 108.00 1x45 n GLY 80 Ca 0.00 -0.57 0.05 0.00 0.00 0.00 0.00 46.02 45.50 1x45 n GLY 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x45 n LEU 81 N -0.33 0.45 0.25 0.99 4.77 -1.17 -4.49 117.00 117.47 1x45 n LEU 81 Ca 0.31 -0.47 0.16 0.00 -0.03 0.00 0.00 56.01 55.98 1x45 n LEU 81 Cb 1.09 0.00 0.86 0.00 -2.33 0.00 0.00 43.42 43.05 1x45 n LEU 81 CO 0.32 0.11 1.14 0.50 -1.33 0.00 0.00 177.39 178.13 1x45 h LYS 82 N 0.00 0.00 -0.32 3.23 3.64 -1.74 0.32 116.57 121.70 1x45 h LYS 82 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1x45 h LYS 82 Cb 0.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1x45 h LYS 82 CO 0.00 0.00 0.00 0.27 -2.27 0.00 0.00 179.45 177.45 1x45 n ASN 83 N -3.83 1.93 -3.89 4.20 6.94 -1.26 -0.20 115.26 119.14 1x45 n ASN 83 Ca -0.01 -1.92 -0.28 0.00 -0.02 0.00 0.00 54.58 52.35 1x45 n ASN 83 Cb 0.21 -0.21 -0.16 0.00 -2.36 0.00 0.00 39.78 37.26 1x45 n ASN 83 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1x45 s GLN 84 N -1.58 1.44 0.02 -3.83 -0.21 0.11 -4.92 119.66 110.69 1x45 s GLN 84 Ca 0.27 -0.58 -0.26 0.00 0.02 0.00 0.00 55.36 54.81 1x45 s GLN 84 Cb 0.14 -2.10 -0.16 0.00 1.00 0.00 0.00 33.01 31.90 1x45 s GLN 84 CO 0.20 -0.46 1.19 0.77 -2.12 0.00 0.00 175.29 174.87 1x45 h SER 85 N 8.10 -0.62 -3.48 5.90 0.02 -1.79 -3.41 113.55 118.27 1x45 h SER 85 Ca -0.23 -0.05 -0.70 0.00 -0.84 0.00 0.00 61.79 59.96 1x45 h SER 85 Cb 1.11 0.16 -0.20 0.00 0.14 0.00 0.00 62.40 63.61 1x45 h SER 85 CO 0.40 -0.26 -0.26 -0.60 -1.14 0.00 0.00 176.83 174.97 1x45 s ARG 86 N -4.76 3.05 -0.06 3.45 3.52 -1.26 -0.83 118.95 122.06 1x45 s ARG 86 Ca -0.14 -0.90 0.05 0.00 -0.13 0.00 0.00 55.73 54.60 1x45 s ARG 86 Cb 0.02 -4.00 -0.02 0.00 -1.56 0.00 0.00 34.95 29.40 1x45 s ARG 86 CO 0.48 -0.87 -0.20 0.08 -0.81 0.00 0.00 175.30 173.98 1x45 s VAL 87 N 1.99 2.49 -0.20 7.11 1.01 -1.04 -4.98 120.40 126.78 1x45 s VAL 87 Ca 0.09 -0.92 -0.10 0.00 0.00 0.00 0.00 61.98 61.06 1x45 s VAL 87 Cb -0.18 -1.94 -0.05 0.00 0.00 0.00 0.00 36.38 34.20 1x45 s VAL 87 CO 0.12 0.57 0.12 -0.75 0.00 0.00 0.00 175.10 175.16 1x45 s LYS 88 N -0.30 4.16 -0.01 2.72 2.20 -1.26 -1.19 119.74 126.06 1x45 s LYS 88 Ca 0.01 -0.24 -0.02 0.00 -0.36 0.00 0.00 55.97 55.36 1x45 s LYS 88 Cb -0.13 -3.41 -0.00 0.00 -1.51 0.00 0.00 37.83 32.78 1x45 s LYS 88 CO 0.03 0.28 0.04 -0.51 -0.36 0.00 0.00 175.35 174.82 1x45 s LEU 89 N 0.42 1.88 -0.42 5.43 1.43 0.68 0.15 118.68 128.26 1x45 s LEU 89 Ca 0.07 -0.08 -0.18 0.00 -1.03 0.00 0.00 54.13 52.91 1x45 s LEU 89 Cb -0.11 0.22 0.02 0.00 0.03 0.00 0.00 46.19 46.35 1x45 s LEU 89 CO -0.01 -0.13 0.50 0.21 0.23 0.00 0.00 176.35 177.14 1x45 s ASN 90 N -0.52 6.24 0.00 2.29 3.04 -0.28 0.58 114.94 126.30 1x45 s ASN 90 Ca -0.06 -0.51 -0.01 0.00 0.04 0.00 0.00 52.86 52.33 1x45 s ASN 90 Cb -0.04 -2.25 -0.04 0.00 -1.54 0.00 0.00 41.25 37.38 1x45 s ASN 90 CO -0.00 -0.62 0.10 -0.63 -3.04 0.00 0.00 177.10 172.91 1x45 s ILE 91 N 2.34 4.83 -0.19 -5.21 -1.09 -0.24 0.15 121.20 121.78 1x45 s ILE 91 Ca 0.15 -0.39 -0.04 0.00 -2.23 0.00 0.00 60.65 58.14 1x45 s ILE 91 Cb -0.16 -3.23 0.09 0.00 -1.58 0.00 0.00 42.46 37.58 1x45 s ILE 91 CO 0.15 0.33 0.19 -0.69 -1.23 0.00 0.00 174.94 173.69 1x45 s VAL 92 N -1.23 -0.27 -0.45 2.92 1.01 0.12 0.51 120.40 123.01 1x45 s VAL 92 Ca 0.24 -0.12 -0.43 0.00 0.00 0.00 0.00 61.98 61.67 1x45 s VAL 92 Cb -0.12 -0.65 -0.18 0.00 0.00 0.00 0.00 36.38 35.43 1x45 s VAL 92 CO 0.15 -0.22 1.97 -1.54 0.00 0.00 0.00 175.10 175.47 1x45 n SER 93 N 5.31 1.30 -3.09 3.32 3.41 -1.26 -2.05 113.62 120.56 1x45 n SER 93 Ca -0.06 0.81 -0.31 0.00 -0.26 0.00 0.00 58.87 59.05 1x45 n SER 93 Cb 0.49 -0.99 -0.01 0.00 -0.26 0.00 0.00 64.21 63.45 1x45 n SER 93 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x45 n GLY 94 N 6.11 -1.77 3.55 5.00 0.00 -1.22 -4.69 105.19 112.16 1x45 n GLY 94 Ca 0.43 0.06 -0.35 0.00 0.00 0.00 0.00 46.02 46.16 1x45 n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x45 s PRO 95 N -0.71 2.60 0.08 1.61 0.04 -1.26 -4.92 135.00 132.43 1x45 s PRO 95 Ca 0.43 0.35 -0.12 0.00 0.04 0.00 0.00 61.00 61.70 1x45 s PRO 95 Cb -0.51 -4.59 0.01 0.00 0.04 0.00 0.00 34.50 29.45 1x45 s PRO 95 CO 0.44 -2.93 0.26 0.45 0.04 0.00 0.00 177.00 175.26 1x45 s SER 96 N 8.10 -0.03 -0.05 6.66 0.15 -1.26 -4.78 113.70 122.50 1x45 s SER 96 Ca 0.68 -0.44 -0.07 0.00 0.70 0.00 0.00 55.95 56.82 1x45 s SER 96 Cb -0.11 0.37 0.01 0.00 -1.71 0.00 0.00 66.02 64.58 1x45 s SER 96 CO 0.14 -0.71 0.17 -0.94 1.20 0.00 0.00 173.24 173.10 1x45 s SER 97 N -2.58 -0.13 0.00 5.45 1.04 -1.26 -4.76 113.70 111.46 1x45 s SER 97 Ca 0.01 0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.63 1x45 s SER 97 Cb 0.02 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.47 1x45 s SER 97 CO -0.09 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.58