#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v61 s SER 2 N 0.00 3.39 -0.55 1.61 1.04 -1.26 -5.03 113.70 112.90 1v61 s SER 2 Ca 0.00 -2.36 0.04 0.00 0.48 0.00 0.00 55.95 54.11 1v61 s SER 2 Cb 0.00 -0.75 0.16 0.00 0.10 0.00 0.00 66.02 65.53 1v61 s SER 2 CO 0.00 -0.30 0.40 -0.55 0.98 0.00 0.00 173.24 173.77 1v61 s SER 3 N 0.76 3.30 0.00 7.02 0.15 -1.26 -5.07 113.70 118.60 1v61 s SER 3 Ca 0.17 -3.37 0.00 0.00 0.70 0.00 0.00 55.95 53.45 1v61 s SER 3 Cb -0.23 -1.07 0.00 0.00 -1.71 0.00 0.00 66.02 63.00 1v61 s SER 3 CO -0.01 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.89 1v61 n GLY 4 N 2.54 1.49 3.23 9.45 0.00 -1.26 -5.11 105.19 115.54 1v61 n GLY 4 Ca 0.22 -0.91 -0.17 0.00 0.00 0.00 0.00 46.02 45.17 1v61 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1v61 s SER 5 N -0.65 1.90 0.39 1.61 0.15 -1.26 -5.08 113.70 110.76 1v61 s SER 5 Ca 0.00 -0.84 0.00 0.00 0.70 0.00 0.00 55.95 55.81 1v61 s SER 5 Cb 0.00 -0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.26 1v61 s SER 5 CO 0.00 -0.18 0.00 -1.20 1.20 0.00 0.00 173.24 173.06 1v61 n SER 6 N 0.44 -5.33 0.00 5.45 7.64 -1.26 -5.00 113.62 115.57 1v61 n SER 6 Ca -0.15 1.12 0.00 0.00 1.01 0.00 0.00 58.87 60.85 1v61 n SER 6 Cb 0.58 -3.03 0.00 0.00 -1.01 0.00 0.00 64.21 60.74 1v61 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v61 n GLY 7 N -2.68 0.10 3.77 0.23 0.00 -1.26 -5.08 105.19 100.27 1v61 n GLY 7 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 1v61 n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1v61 s GLN 8 N -0.85 2.92 0.42 1.61 1.11 -1.26 -4.97 119.66 118.64 1v61 s GLN 8 Ca 0.00 -0.63 0.28 0.00 0.01 0.00 0.00 55.36 55.02 1v61 s GLN 8 Cb 0.00 -2.76 1.39 0.00 -1.01 0.00 0.00 33.01 30.63 1v61 s GLN 8 CO 0.00 0.59 1.62 0.97 0.01 0.00 0.00 175.29 178.48 1v61 h ILE 9 N 2.79 0.13 0.00 1.08 2.10 -1.98 -3.36 117.51 118.27 1v61 h ILE 9 Ca -0.47 -0.03 0.00 0.00 1.08 0.00 0.00 64.86 65.43 1v61 h ILE 9 Cb 1.17 0.02 0.00 0.00 -1.09 0.00 0.00 36.82 36.92 1v61 h ILE 9 CO 0.65 0.02 0.00 0.00 -1.08 0.00 0.00 178.15 177.73 1v61 n LEU 10 N -4.77 0.00 0.00 2.19 -0.00 -1.26 -5.09 117.00 108.07 1v61 n LEU 10 Ca 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.38 1v61 n LEU 10 Cb 1.38 0.15 0.00 0.00 -0.00 0.00 0.00 43.42 44.95 1v61 n LEU 10 CO 0.18 -0.41 0.00 -1.20 -0.00 0.00 0.00 177.39 175.96 1v61 n SER 11 N -2.32 0.00 -4.69 1.45 7.64 -1.26 -5.09 113.62 109.35 1v61 n SER 11 Ca 0.00 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.55 1v61 n SER 11 Cb 0.00 0.00 0.14 0.00 -1.01 0.00 0.00 64.21 63.34 1v61 n SER 11 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 1v61 s GLU 12 N 0.00 1.45 1.00 1.43 -1.05 -1.26 -4.78 118.70 115.49 1v61 s GLU 12 Ca 0.00 1.69 -0.15 0.00 -0.15 0.00 0.00 54.97 56.36 1v61 s GLU 12 Cb 0.00 -1.76 0.19 0.00 -0.44 0.00 0.00 34.13 32.12 1v61 s GLU 12 CO 0.00 -2.34 1.18 -1.25 0.95 0.00 0.00 175.26 173.80 1v61 s PRO 13 N -4.31 0.37 0.54 -4.83 0.04 -1.26 -4.71 135.00 120.84 1v61 s PRO 13 Ca 0.71 -0.00 -0.14 0.00 0.04 0.00 0.00 61.00 61.61 1v61 s PRO 13 Cb -0.27 -1.78 -0.07 0.00 0.04 0.00 0.00 34.50 32.43 1v61 s PRO 13 CO 0.53 -2.66 0.98 0.42 0.04 0.00 0.00 177.00 176.31 1v61 s ILE 14 N -3.38 4.61 -0.09 0.56 1.01 -1.26 -4.71 121.20 117.94 1v61 s ILE 14 Ca 0.68 1.06 -0.15 0.00 0.00 0.00 0.00 60.65 62.25 1v61 s ILE 14 Cb -0.10 -3.77 -0.05 0.00 0.01 0.00 0.00 42.46 38.55 1v61 s ILE 14 CO 0.54 -0.81 0.37 -1.58 0.00 0.00 0.00 174.94 173.46 1v61 s GLN 15 N -4.38 4.09 -0.77 2.79 0.74 0.44 -3.93 119.66 118.64 1v61 s GLN 15 Ca 0.57 0.28 0.00 0.00 0.05 0.00 0.00 55.36 56.26 1v61 s GLN 15 Cb -0.10 -3.33 0.00 0.00 1.10 0.00 0.00 33.01 30.67 1v61 s GLN 15 CO 0.38 0.43 0.00 0.00 -0.55 0.00 0.00 175.29 175.55 1v61 n ALA 16 N 2.82 -0.19 -2.91 1.58 0.00 -1.26 0.19 120.51 120.73 1v61 n ALA 16 Ca -0.12 0.09 -0.43 0.00 0.00 0.00 0.00 53.44 52.98 1v61 n ALA 16 Cb 0.52 -1.14 -0.04 0.00 0.00 0.00 0.00 19.45 18.79 1v61 n ALA 16 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 1v61 s TRP 17 N -2.37 2.81 0.26 0.00 -0.11 -1.25 -4.61 118.94 113.66 1v61 s TRP 17 Ca 0.00 -0.77 0.10 0.00 1.22 0.00 0.00 56.10 56.64 1v61 s TRP 17 Cb 0.00 -4.25 -0.05 0.00 -1.50 0.00 0.00 33.47 27.67 1v61 s TRP 17 CO 0.00 -1.56 -0.16 -1.83 -4.62 0.00 0.00 176.95 168.78 1v61 s GLU 18 N 3.59 1.56 0.00 5.86 -1.05 -1.26 -4.87 118.70 122.53 1v61 s GLU 18 Ca 0.22 -1.73 0.00 0.00 -0.15 0.00 0.00 54.97 53.32 1v61 s GLU 18 Cb -0.16 -1.47 0.00 0.00 -0.44 0.00 0.00 34.13 32.06 1v61 s GLU 18 CO 0.06 0.23 0.00 0.41 0.95 0.00 0.00 175.26 176.91 1v61 n GLY 19 N -0.55 2.31 1.57 -3.83 0.00 -1.26 -5.01 105.19 98.42 1v61 n GLY 19 Ca -0.06 -0.78 -0.02 0.00 0.00 0.00 0.00 46.02 45.16 1v61 n GLY 19 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1v61 n ASP 20 N 0.56 -0.79 -4.76 1.61 -0.08 -1.26 -5.16 116.55 106.67 1v61 n ASP 20 Ca 0.00 -1.46 -0.31 0.00 -1.51 0.00 0.00 54.79 51.51 1v61 n ASP 20 Cb 0.00 1.30 0.10 0.00 2.34 0.00 0.00 41.12 44.86 1v61 n ASP 20 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1v61 s ASP 21 N -1.96 4.27 -0.13 1.67 2.15 -1.26 -4.98 116.67 116.43 1v61 s ASP 21 Ca 0.09 1.77 0.07 0.00 0.43 0.00 0.00 52.55 54.90 1v61 s ASP 21 Cb -0.01 -2.46 -0.23 0.00 -0.30 0.00 0.00 42.92 39.91 1v61 s ASP 21 CO 0.03 -2.18 0.32 0.00 -0.17 0.00 0.00 175.17 173.17 1v61 n ILE 22 N -3.61 1.60 0.30 4.11 3.06 -1.26 -3.91 119.36 119.64 1v61 n ILE 22 Ca 0.09 -0.74 0.19 0.00 -2.50 0.00 0.00 62.75 59.80 1v61 n ILE 22 Cb 0.53 -1.17 1.04 0.00 0.54 0.00 0.00 39.64 40.58 1v61 n ILE 22 CO 0.00 0.00 0.00 0.11 -2.50 0.00 0.00 176.55 174.16 1v61 h LYS 23 N 0.02 0.00 -0.01 9.51 1.79 -1.94 0.24 116.57 126.18 1v61 h LYS 23 Ca -0.42 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 57.90 1v61 h LYS 23 Cb 2.05 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 32.68 1v61 h LYS 23 CO 0.05 0.00 -0.65 1.79 -1.08 0.00 0.00 179.45 179.55 1v61 h THR 24 N 0.00 1.46 0.37 -0.16 1.35 -1.97 -3.30 112.91 110.66 1v61 h THR 24 Ca 0.00 -2.21 -0.02 0.00 -0.55 0.00 0.00 66.41 63.63 1v61 h THR 24 Cb 0.08 2.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 1v61 h THR 24 CO 0.00 0.63 -0.18 -0.07 -0.25 0.00 0.00 175.52 175.66 1v61 h LEU 25 N 0.03 -0.42 0.00 3.87 3.38 -0.72 -3.51 115.31 117.95 1v61 h LEU 25 Ca -0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1v61 h LEU 25 Cb 1.16 0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1v61 h LEU 25 CO 0.09 -0.14 0.00 0.61 0.09 0.00 0.00 178.44 179.09 1v61 n GLY 26 N 0.09 -0.55 3.46 0.83 0.00 -1.17 -5.01 105.19 102.84 1v61 n GLY 26 Ca -0.06 -0.30 -0.23 0.00 0.00 0.00 0.00 46.02 45.42 1v61 n GLY 26 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1v61 s ASN 27 N -4.00 3.44 -0.68 1.61 3.84 -1.26 -4.64 114.94 113.25 1v61 s ASN 27 Ca 0.00 -1.04 -0.27 0.00 0.21 0.00 0.00 52.86 51.76 1v61 s ASN 27 Cb 0.00 -0.28 0.03 0.00 -0.55 0.00 0.00 41.25 40.45 1v61 s ASN 27 CO 0.00 -0.00 1.24 -0.69 -2.79 0.00 0.00 177.10 174.86 1v61 s VAL 28 N -2.58 3.83 0.00 -5.21 1.01 -1.26 -4.07 120.40 112.12 1v61 s VAL 28 Ca 0.29 0.56 0.00 0.00 0.00 0.00 0.00 61.98 62.83 1v61 s VAL 28 Cb -0.04 -4.85 0.00 0.00 0.00 0.00 0.00 36.38 31.49 1v61 s VAL 28 CO 0.14 -1.68 0.63 -0.38 0.00 0.00 0.00 175.10 173.81 1v61 n ILE 29 N 6.47 0.00 -4.37 2.22 -0.00 0.42 -4.72 119.36 119.38 1v61 n ILE 29 Ca 0.05 1.13 -0.33 0.00 -0.00 0.00 0.00 62.75 63.60 1v61 n ILE 29 Cb 0.49 -2.12 -0.16 0.00 -0.00 0.00 0.00 39.64 37.85 1v61 n ILE 29 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.55 176.67 1v61 s PHE 30 N -1.51 2.73 -0.14 1.39 2.19 -1.25 -4.98 117.98 116.40 1v61 s PHE 30 Ca 0.00 -1.50 0.01 0.00 0.33 0.00 0.00 56.93 55.77 1v61 s PHE 30 Cb 0.00 -1.88 0.02 0.00 -1.31 0.00 0.00 43.02 39.85 1v61 s PHE 30 CO 0.00 -0.72 -0.15 1.41 1.83 0.00 0.00 175.22 177.59 1v61 s MET 31 N 1.07 2.36 -0.12 10.12 -2.45 -1.26 -3.35 119.30 125.67 1v61 s MET 31 Ca -0.00 -0.59 -0.24 0.00 -1.25 0.00 0.00 55.69 53.61 1v61 s MET 31 Cb -0.14 -2.10 0.06 0.00 1.25 0.00 0.00 34.83 33.89 1v61 s MET 31 CO -0.08 -0.19 0.59 -1.54 1.05 0.00 0.00 175.02 174.85 1v61 s SER 32 N 1.34 -0.57 -0.43 1.11 1.04 -1.26 -5.06 113.70 109.87 1v61 s SER 32 Ca 0.02 0.82 -0.28 0.00 0.48 0.00 0.00 55.95 56.99 1v61 s SER 32 Cb -0.13 0.80 -0.00 0.00 0.10 0.00 0.00 66.02 66.78 1v61 s SER 32 CO -0.09 -0.41 1.58 -1.58 0.98 0.00 0.00 173.24 173.72 1v61 s GLN 33 N -0.58 3.35 0.57 4.02 0.74 -1.26 -3.89 119.66 122.61 1v61 s GLN 33 Ca -0.07 0.97 0.07 0.00 0.05 0.00 0.00 55.36 56.38 1v61 s GLN 33 Cb -0.03 -4.13 0.07 0.00 1.10 0.00 0.00 33.01 30.02 1v61 s GLN 33 CO 0.05 -1.84 0.60 0.14 -0.55 0.00 0.00 175.29 173.69 1v61 s VAL 34 N 6.36 1.82 -0.21 1.34 -7.23 -0.44 -4.90 120.40 117.14 1v61 s VAL 34 Ca 0.66 -1.26 0.01 0.00 -1.81 0.00 0.00 61.98 59.58 1v61 s VAL 34 Cb -0.16 -2.09 0.05 0.00 0.56 0.00 0.00 36.38 34.75 1v61 s VAL 34 CO 0.30 0.00 -0.08 -0.69 -0.31 0.00 0.00 175.10 174.32 1v61 s VAL 35 N -2.74 1.58 -0.05 1.32 1.01 -1.26 -0.64 120.40 119.62 1v61 s VAL 35 Ca 0.47 -1.07 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 1v61 s VAL 35 Cb -0.04 -1.73 0.03 0.00 0.00 0.00 0.00 36.38 34.64 1v61 s VAL 35 CO 0.30 0.07 0.02 -0.32 0.00 0.00 0.00 175.10 175.16 1v61 s MET 36 N 1.40 0.29 0.40 2.72 -2.45 0.49 -0.89 119.30 121.26 1v61 s MET 36 Ca -0.03 0.17 0.07 0.00 -1.25 0.00 0.00 55.69 54.66 1v61 s MET 36 Cb -0.17 -0.64 -0.08 0.00 1.25 0.00 0.00 34.83 35.19 1v61 s MET 36 CO -0.07 -0.24 -0.00 -1.14 1.05 0.00 0.00 175.02 174.61 1v61 s GLN 37 N 1.64 1.93 0.00 4.11 -0.44 -1.26 -4.34 119.66 121.31 1v61 s GLN 37 Ca -0.01 -2.08 0.00 0.00 -2.50 0.00 0.00 55.36 50.77 1v61 s GLN 37 Cb -0.13 -1.63 0.00 0.00 -1.64 0.00 0.00 33.01 29.61 1v61 s GLN 37 CO -0.03 -0.03 0.15 0.72 0.50 0.00 0.00 175.29 176.60 1v61 n HIS 38 N -0.94 0.00 0.00 1.67 8.25 -1.26 -4.47 115.22 118.47 1v61 n HIS 38 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 1v61 n HIS 38 Cb 0.67 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.60 1v61 n HIS 38 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1v61 n GLY 39 N 1.66 -0.33 2.96 -1.41 0.00 -1.26 -4.98 105.19 101.83 1v61 n GLY 39 Ca 0.00 0.05 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 1v61 n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v61 s ALA 40 N -1.90 1.18 0.00 4.61 0.00 -1.26 -5.11 121.76 119.27 1v61 s ALA 40 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.57 1v61 s ALA 40 Cb 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.46 1v61 s ALA 40 CO 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 175.76 175.66 1v61 n GLU 42 N 0.00 0.00 -1.92 0.00 4.71 -1.26 -4.93 120.64 117.24 1v61 n GLU 42 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 1v61 n GLU 42 Cb 0.00 -0.44 0.00 0.00 -1.01 0.00 0.00 31.44 29.99 1v61 n GLU 42 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1v61 n GLU 43 N 0.00 0.63 -1.43 3.49 -0.58 -1.26 -5.11 120.64 116.38 1v61 n GLU 43 Ca 0.00 0.00 -0.46 0.00 -0.42 0.00 0.00 57.16 56.28 1v61 n GLU 43 Cb 0.00 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 30.85 1v61 n GLU 43 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1v61 n LYS 44 N 0.00 0.33 -3.51 3.49 5.02 -1.26 -4.89 118.16 117.34 1v61 n LYS 44 Ca 0.00 0.12 -0.42 0.00 -2.02 0.00 0.00 58.31 55.99 1v61 n LYS 44 Cb 0.00 -1.22 -0.07 0.00 -0.02 0.00 0.00 35.03 33.72 1v61 n LYS 44 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1v61 s GLU 45 N -1.17 2.79 0.42 1.97 2.56 -1.26 -4.99 118.70 119.01 1v61 s GLU 45 Ca 0.62 -2.06 -0.23 0.00 0.00 0.00 0.00 54.97 53.30 1v61 s GLU 45 Cb -0.82 -4.04 -0.09 0.00 2.00 0.00 0.00 34.13 31.19 1v61 s GLU 45 CO 0.58 -1.23 1.04 -1.21 -0.56 0.00 0.00 175.26 173.88 1v61 s GLU 46 N 0.84 4.09 0.29 4.30 2.02 -1.26 0.19 118.70 129.17 1v61 s GLU 46 Ca 0.10 1.44 -0.19 0.00 0.02 0.00 0.00 54.97 56.34 1v61 s GLU 46 Cb -0.22 -2.42 0.05 0.00 0.10 0.00 0.00 34.13 31.65 1v61 s GLU 46 CO -0.03 -0.19 0.85 0.50 0.02 0.00 0.00 175.26 176.41 1v61 s ARG 47 N -2.71 1.83 -0.11 1.61 3.52 0.18 -4.84 118.95 118.44 1v61 s ARG 47 Ca 0.60 -1.13 0.03 0.00 -0.13 0.00 0.00 55.73 55.10 1v61 s ARG 47 Cb -0.20 0.54 -0.00 0.00 -1.56 0.00 0.00 34.95 33.73 1v61 s ARG 47 CO 0.25 -0.85 -0.21 -0.47 -0.81 0.00 0.00 175.30 173.20 1v61 s TYR 48 N -2.73 2.64 -0.16 5.12 5.04 0.15 -1.33 117.35 126.08 1v61 s TYR 48 Ca 0.15 -0.95 0.00 0.00 -2.44 0.00 0.00 57.07 53.84 1v61 s TYR 48 Cb -0.04 -1.75 0.00 0.00 0.35 0.00 0.00 41.96 40.52 1v61 s TYR 48 CO 0.08 -0.37 -0.16 -0.06 -1.34 0.00 0.00 175.55 173.69 1v61 s PHE 49 N 0.37 2.77 -0.33 4.97 0.40 -1.25 0.10 117.98 125.02 1v61 s PHE 49 Ca -0.16 -1.17 -0.05 0.00 -0.60 0.00 0.00 56.93 54.94 1v61 s PHE 49 Cb -0.17 -1.89 0.04 0.00 0.51 0.00 0.00 43.02 41.50 1v61 s PHE 49 CO 0.08 -0.55 0.08 -0.51 0.70 0.00 0.00 175.22 175.01 1v61 s LEU 50 N 0.92 4.18 -0.40 -0.37 1.43 0.27 -3.99 118.68 120.72 1v61 s LEU 50 Ca -0.03 -1.13 -0.23 0.00 -1.03 0.00 0.00 54.13 51.70 1v61 s LEU 50 Cb -0.15 -1.83 0.02 0.00 0.03 0.00 0.00 46.19 44.25 1v61 s LEU 50 CO -0.02 -0.30 0.78 -0.22 0.23 0.00 0.00 176.35 176.82 1v61 s LEU 51 N 1.38 4.18 0.00 1.79 2.96 -1.21 -1.23 118.68 126.55 1v61 s LEU 51 Ca -0.02 0.15 0.23 0.00 -0.22 0.00 0.00 54.13 54.27 1v61 s LEU 51 Cb -0.19 -3.00 0.58 0.00 0.50 0.00 0.00 46.19 44.08 1v61 s LEU 51 CO 0.02 -0.81 1.50 0.49 -1.32 0.00 0.00 176.35 176.22 1v61 n PHE 52 N 6.55 0.83 -3.27 5.38 3.01 -1.00 0.16 117.46 129.11 1v61 n PHE 52 Ca 0.03 -0.42 -0.17 0.00 1.01 0.00 0.00 57.45 57.90 1v61 n PHE 52 Cb 0.48 -0.00 0.06 0.00 -0.01 0.00 0.00 39.48 40.01 1v61 n PHE 52 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1v61 n SER 53 N 1.61 -4.85 0.00 4.37 2.88 -1.26 -4.52 113.62 111.84 1v61 n SER 53 Ca 0.23 -0.40 0.00 0.00 -1.33 0.00 0.00 58.87 57.37 1v61 n SER 53 Cb 0.62 -3.81 0.00 0.00 -0.75 0.00 0.00 64.21 60.27 1v61 n SER 53 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1v61 n SER 54 N -1.87 0.00 -3.78 -3.46 2.88 -1.26 -5.03 113.62 101.10 1v61 n SER 54 Ca -0.02 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.40 1v61 n SER 54 Cb 0.55 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.91 1v61 n SER 54 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1v61 s VAL 55 N 0.00 0.01 -0.54 2.46 0.11 -1.26 0.14 120.40 121.32 1v61 s VAL 55 Ca 0.00 -0.12 -0.16 0.00 -2.93 0.00 0.00 61.98 58.77 1v61 s VAL 55 Cb 0.00 -0.44 0.13 0.00 -1.53 0.00 0.00 36.38 34.54 1v61 s VAL 55 CO 0.00 -0.07 0.49 -0.22 -3.33 0.00 0.00 175.10 171.98 1v61 s LEU 56 N -0.18 6.16 0.00 2.54 1.98 0.46 -2.38 118.68 127.27 1v61 s LEU 56 Ca -0.03 -1.77 -0.26 0.00 -2.89 0.00 0.00 54.13 49.18 1v61 s LEU 56 Cb -0.03 -2.21 -0.04 0.00 0.66 0.00 0.00 46.19 44.57 1v61 s LEU 56 CO 0.01 -0.85 0.80 -0.63 -1.89 0.00 0.00 176.35 173.79 1v61 s ILE 57 N 1.60 4.86 -0.13 6.68 -1.09 -0.36 -1.59 121.20 131.17 1v61 s ILE 57 Ca 0.03 1.67 -0.03 0.00 -2.23 0.00 0.00 60.65 60.10 1v61 s ILE 57 Cb -0.30 -4.14 -0.03 0.00 -1.58 0.00 0.00 42.46 36.41 1v61 s ILE 57 CO 0.03 0.28 -0.04 -0.04 -1.23 0.00 0.00 174.94 173.94 1v61 s MET 58 N 0.46 3.41 0.21 2.79 -1.94 -1.19 0.95 119.30 123.98 1v61 s MET 58 Ca 0.41 -0.51 0.06 0.00 -1.71 0.00 0.00 55.69 53.94 1v61 s MET 58 Cb -0.20 -2.83 -0.05 0.00 2.01 0.00 0.00 34.83 33.76 1v61 s MET 58 CO 0.23 0.38 -0.09 -0.51 -0.01 0.00 0.00 175.02 175.02 1v61 s LEU 59 N -0.02 2.47 0.03 -0.03 1.02 0.29 -3.07 118.68 119.36 1v61 s LEU 59 Ca 0.01 -1.08 -0.14 0.00 0.02 0.00 0.00 54.13 52.94 1v61 s LEU 59 Cb -0.13 -0.50 0.02 0.00 0.02 0.00 0.00 46.19 45.59 1v61 s LEU 59 CO 0.03 -0.31 0.30 -0.55 0.02 0.00 0.00 176.35 175.84 1v61 s SER 60 N -3.29 -0.13 -0.58 2.29 0.15 -0.91 0.31 113.70 111.53 1v61 s SER 60 Ca 0.23 -0.13 0.06 0.00 0.70 0.00 0.00 55.95 56.81 1v61 s SER 60 Cb 0.02 0.34 0.22 0.00 -1.71 0.00 0.00 66.02 64.89 1v61 s SER 60 CO 0.06 -0.56 0.59 0.00 1.20 0.00 0.00 173.24 174.53 1v61 n ALA 61 N 0.78 3.44 0.12 5.45 0.00 -1.26 -2.05 120.51 126.99 1v61 n ALA 61 Ca -0.19 -4.25 -0.13 0.00 0.00 0.00 0.00 53.44 48.87 1v61 n ALA 61 Cb 0.58 -0.90 -0.08 0.00 0.00 0.00 0.00 19.45 19.05 1v61 n ALA 61 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1v61 h SER 62 N 4.65 -0.26 -2.62 0.00 0.87 -1.99 -3.45 113.55 110.74 1v61 h SER 62 Ca 0.17 -0.22 -0.19 0.00 -1.23 0.00 0.00 61.79 60.32 1v61 h SER 62 Cb 0.76 0.07 0.09 0.00 -0.44 0.00 0.00 62.40 62.87 1v61 h SER 62 CO 0.68 0.10 0.13 -0.81 -0.53 0.00 0.00 176.83 176.40 1v61 n PRO 63 N -5.08 -1.30 -1.97 2.24 -0.04 -1.26 -5.01 135.00 122.59 1v61 n PRO 63 Ca -0.09 -0.89 -0.35 0.00 -0.04 0.00 0.00 63.50 62.12 1v61 n PRO 63 Cb 0.24 -0.70 0.03 0.00 -0.04 0.00 0.00 33.50 33.04 1v61 n PRO 63 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1v61 s ARG 64 N -4.27 2.94 -0.49 0.54 1.70 -1.26 -4.77 118.95 113.35 1v61 s ARG 64 Ca 0.34 1.71 -0.38 0.00 -0.47 0.00 0.00 55.73 56.93 1v61 s ARG 64 Cb -0.02 -1.94 -0.17 0.00 -0.57 0.00 0.00 34.95 32.25 1v61 s ARG 64 CO 0.25 -1.20 1.95 0.00 -1.08 0.00 0.00 175.30 175.22 1v61 n MET 65 N -1.76 0.00 0.00 3.89 -0.00 -1.26 -4.78 117.12 113.21 1v61 n MET 65 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.83 1v61 n MET 65 Cb 0.50 -1.33 0.00 0.00 -0.00 0.00 0.00 33.22 32.39 1v61 n MET 65 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1v61 n SER 66 N 6.92 0.00 -0.80 3.17 2.88 -1.26 -5.15 113.62 119.38 1v61 n SER 66 Ca 0.50 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 58.10 1v61 n SER 66 Cb -0.03 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.41 1v61 n SER 66 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1v61 n GLY 67 N 0.00 -1.70 3.25 0.46 0.00 -1.26 -4.96 105.19 100.98 1v61 n GLY 67 Ca 0.00 -1.22 -0.15 0.00 0.00 0.00 0.00 46.02 44.65 1v61 n GLY 67 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1v61 s PHE 68 N -0.93 1.31 -0.11 1.61 0.08 -1.26 -4.86 117.98 113.82 1v61 s PHE 68 Ca 0.00 -0.70 -0.00 0.00 0.12 0.00 0.00 56.93 56.35 1v61 s PHE 68 Cb 0.00 -0.67 -0.02 0.00 -0.57 0.00 0.00 43.02 41.76 1v61 s PHE 68 CO 0.00 0.11 -0.10 1.41 -0.10 0.00 0.00 175.22 176.54 1v61 s MET 69 N -3.47 3.19 -0.12 0.44 -2.45 -0.87 -0.42 119.30 115.60 1v61 s MET 69 Ca 0.15 -0.62 -0.16 0.00 -1.25 0.00 0.00 55.69 53.81 1v61 s MET 69 Cb 0.00 -2.65 -0.05 0.00 1.25 0.00 0.00 34.83 33.39 1v61 s MET 69 CO 0.02 0.37 0.39 -0.47 1.05 0.00 0.00 175.02 176.38 1v61 s TYR 70 N -0.05 3.52 -0.04 4.11 5.04 0.51 -2.15 117.35 128.29 1v61 s TYR 70 Ca -0.01 0.79 -0.05 0.00 -2.44 0.00 0.00 57.07 55.35 1v61 s TYR 70 Cb -0.14 -2.43 -0.02 0.00 0.35 0.00 0.00 41.96 39.73 1v61 s TYR 70 CO 0.03 0.27 -0.10 1.04 -1.34 0.00 0.00 175.55 175.46 1v61 n GLN 71 N 3.35 0.15 -1.83 4.97 1.13 -1.17 -4.65 117.38 119.32 1v61 n GLN 71 Ca -0.10 0.06 -0.00 0.00 -1.94 0.00 0.00 57.00 55.01 1v61 n GLN 71 Cb 0.52 -0.69 -0.00 0.00 0.11 0.00 0.00 30.24 30.18 1v61 n GLN 71 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1v61 n GLY 72 N 1.89 3.57 3.26 1.08 0.00 -1.26 -5.08 105.19 108.66 1v61 n GLY 72 Ca -0.04 -1.53 -0.13 0.00 0.00 0.00 0.00 46.02 44.33 1v61 n GLY 72 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1v61 s LYS 73 N -2.02 0.42 -0.21 1.61 -2.85 -1.26 -3.19 119.74 112.24 1v61 s LYS 73 Ca 0.01 0.58 -0.04 0.00 -1.00 0.00 0.00 55.97 55.52 1v61 s LYS 73 Cb 0.00 0.16 -0.01 0.00 -2.06 0.00 0.00 37.83 35.92 1v61 s LYS 73 CO 0.01 -0.08 -0.04 0.42 0.10 0.00 0.00 175.35 175.76 1v61 s ILE 74 N 0.47 3.43 -0.07 3.79 1.01 -0.62 -4.90 121.20 124.31 1v61 s ILE 74 Ca -0.02 -0.48 -0.30 0.00 0.00 0.00 0.00 60.65 59.85 1v61 s ILE 74 Cb -0.04 -2.55 -0.03 0.00 0.01 0.00 0.00 42.46 39.85 1v61 s ILE 74 CO -0.02 0.43 1.23 -2.16 0.00 0.00 0.00 174.94 174.41 1v61 s PRO 75 N 1.37 4.32 0.63 2.79 0.04 -1.26 0.17 135.00 143.06 1v61 s PRO 75 Ca 0.04 1.69 0.33 0.00 0.04 0.00 0.00 61.00 63.10 1v61 s PRO 75 Cb -0.14 -3.60 1.81 0.00 0.04 0.00 0.00 34.50 32.60 1v61 s PRO 75 CO -0.02 -0.51 2.10 0.82 0.04 0.00 0.00 177.00 179.43 1v61 h ILE 76 N 5.10 0.23 0.46 0.56 1.08 0.81 0.16 117.51 125.90 1v61 h ILE 76 Ca -0.33 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.12 1v61 h ILE 76 Cb 1.15 0.81 0.00 0.00 -3.07 0.00 0.00 36.82 35.72 1v61 h ILE 76 CO 0.90 0.00 -0.22 0.00 -0.69 0.00 0.00 178.15 178.14 1v61 h ALA 77 N 1.67 -1.12 -0.18 1.87 0.00 -1.90 -2.85 119.26 116.74 1v61 h ALA 77 Ca 0.05 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1v61 h ALA 77 Cb 0.48 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1v61 h ALA 77 CO -0.00 -1.08 0.00 0.41 0.00 0.00 0.00 179.25 178.58 1v61 n GLY 78 N -1.18 0.80 3.78 0.00 0.00 -0.84 -4.88 105.19 102.86 1v61 n GLY 78 Ca -0.08 -0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 1v61 n GLY 78 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1v61 s MET 79 N -1.62 4.41 -0.25 1.61 0.00 0.49 -4.11 119.30 119.83 1v61 s MET 79 Ca 0.14 1.39 0.01 0.00 0.00 0.00 0.00 55.69 57.23 1v61 s MET 79 Cb 0.09 -2.67 0.07 0.00 0.00 0.00 0.00 34.83 32.32 1v61 s MET 79 CO 0.07 0.10 -0.01 0.08 0.00 0.00 0.00 175.02 175.26 1v61 s VAL 80 N -1.67 1.43 0.07 10.11 1.01 0.47 -4.93 120.40 126.89 1v61 s VAL 80 Ca 0.54 -1.31 0.04 0.00 0.00 0.00 0.00 61.98 61.25 1v61 s VAL 80 Cb -0.19 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.34 1v61 s VAL 80 CO 0.25 -0.25 0.01 -0.69 0.00 0.00 0.00 175.10 174.42 1v61 s VAL 81 N 1.41 4.09 0.00 2.92 1.01 -1.26 -2.08 120.40 126.49 1v61 s VAL 81 Ca -0.01 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.09 1v61 s VAL 81 Cb -0.18 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.28 1v61 s VAL 81 CO -0.09 0.18 0.00 -0.46 0.00 0.00 0.00 175.10 174.73 1v61 n ASN 82 N 0.76 0.00 -2.69 3.32 0.23 -1.24 -5.00 115.26 110.64 1v61 n ASN 82 Ca -0.11 0.00 -0.23 0.00 -0.53 0.00 0.00 54.58 53.71 1v61 n ASN 82 Cb 0.52 0.00 -0.09 0.00 -2.08 0.00 0.00 39.78 38.13 1v61 n ASN 82 CO 0.00 0.00 0.00 -2.11 -0.93 0.00 0.00 177.26 174.22 1v61 n ARG 83 N -0.45 2.54 -3.69 -3.83 1.85 -1.26 -1.80 116.66 110.01 1v61 n ARG 83 Ca 0.00 -1.46 -0.28 0.00 -1.00 0.00 0.00 57.85 55.11 1v61 n ARG 83 Cb 0.00 -2.34 0.01 0.00 -1.05 0.00 0.00 32.46 29.08 1v61 n ARG 83 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1v61 n LEU 84 N 3.18 -2.18 -0.65 2.89 7.99 -1.26 -4.80 117.00 122.17 1v61 n LEU 84 Ca 0.54 -0.71 0.05 0.00 -0.01 0.00 0.00 56.01 55.88 1v61 n LEU 84 Cb 0.50 -1.66 0.15 0.00 -0.11 0.00 0.00 43.42 42.29 1v61 n LEU 84 CO 0.49 0.23 0.61 -0.67 -1.51 0.00 0.00 177.39 176.54 1v61 n ASP 85 N -1.89 1.87 -0.15 -1.43 -0.08 -1.26 -3.46 116.55 110.15 1v61 n ASP 85 Ca -0.25 -2.04 0.12 0.00 -1.51 0.00 0.00 54.79 51.12 1v61 n ASP 85 Cb 0.69 -0.25 0.31 0.00 2.34 0.00 0.00 41.12 44.21 1v61 n ASP 85 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1v61 n GLU 86 N 0.43 0.50 0.00 -0.67 1.02 -1.26 -4.89 120.64 115.77 1v61 n GLU 86 Ca 0.11 -0.30 0.00 0.00 -0.02 0.00 0.00 57.16 56.95 1v61 n GLU 86 Cb 0.31 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 1v61 n GLU 86 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1v61 n ILE 87 N -0.99 0.00 -3.40 -3.67 2.08 -1.22 -5.12 119.36 107.04 1v61 n ILE 87 Ca 0.09 0.00 -0.24 0.00 0.56 0.00 0.00 62.75 63.16 1v61 n ILE 87 Cb 0.34 0.00 -0.10 0.00 -0.75 0.00 0.00 39.64 39.13 1v61 n ILE 87 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 1v61 s GLU 88 N 3.17 0.64 -0.09 0.38 2.02 -1.26 -5.03 118.70 118.53 1v61 s GLU 88 Ca 0.00 -1.30 -0.06 0.00 0.02 0.00 0.00 54.97 53.63 1v61 s GLU 88 Cb 0.00 -1.11 0.02 0.00 0.10 0.00 0.00 34.13 33.15 1v61 s GLU 88 CO 0.00 -1.24 0.13 0.41 0.02 0.00 0.00 175.26 174.58 1v61 n GLY 89 N 3.89 -3.49 0.86 -1.39 0.00 -1.26 -5.02 105.19 98.77 1v61 n GLY 89 Ca 0.15 0.93 -0.02 0.00 0.00 0.00 0.00 46.02 47.08 1v61 n GLY 89 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1v61 n SER 90 N 2.00 1.12 -3.60 1.61 2.88 -1.26 -5.15 113.62 111.23 1v61 n SER 90 Ca -0.21 0.16 -0.00 0.00 -1.33 0.00 0.00 58.87 57.48 1v61 n SER 90 Cb 0.33 -0.38 0.02 0.00 -0.75 0.00 0.00 64.21 63.43 1v61 n SER 90 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 1v61 s ASP 91 N -5.84 0.01 -1.39 -3.46 1.11 -1.26 -5.04 116.67 100.80 1v61 s ASP 91 Ca -0.05 -0.44 -0.12 0.00 0.18 0.00 0.00 52.55 52.12 1v61 s ASP 91 Cb 0.01 0.32 0.09 0.00 1.07 0.00 0.00 42.92 44.40 1v61 s ASP 91 CO 0.07 -0.63 2.08 0.00 1.18 0.00 0.00 175.17 177.87 1v61 s MET 93 N 2.22 0.79 0.23 0.00 0.23 -1.26 -4.49 119.30 117.01 1v61 s MET 93 Ca 0.45 -0.93 0.00 0.00 -1.03 0.00 0.00 55.69 54.18 1v61 s MET 93 Cb 0.12 0.32 -0.04 0.00 -1.53 0.00 0.00 34.83 33.69 1v61 s MET 93 CO -0.05 -0.24 0.12 -0.59 -2.03 0.00 0.00 175.02 172.23 1v61 s PHE 94 N -3.63 1.34 -0.02 3.16 -0.71 -1.25 -4.08 117.98 112.78 1v61 s PHE 94 Ca 0.03 -1.29 0.08 0.00 -1.04 0.00 0.00 56.93 54.71 1v61 s PHE 94 Cb 0.04 -0.71 -0.02 0.00 -1.21 0.00 0.00 43.02 41.12 1v61 s PHE 94 CO -0.10 -0.51 -0.26 -1.83 -1.34 0.00 0.00 175.22 171.19 1v61 s GLU 95 N -4.10 2.13 -0.40 1.99 -1.05 -0.75 -2.54 118.70 113.99 1v61 s GLU 95 Ca 0.38 -0.92 -0.02 0.00 -0.15 0.00 0.00 54.97 54.26 1v61 s GLU 95 Cb 0.07 -2.03 0.11 0.00 -0.44 0.00 0.00 34.13 31.84 1v61 s GLU 95 CO 0.13 0.54 0.19 0.42 0.95 0.00 0.00 175.26 177.49 1v61 s ILE 96 N -0.56 3.22 0.18 1.83 1.01 0.17 -3.68 121.20 123.37 1v61 s ILE 96 Ca 0.09 -2.06 0.02 0.00 0.00 0.00 0.00 60.65 58.69 1v61 s ILE 96 Cb -0.10 -3.21 -0.01 0.00 0.01 0.00 0.00 42.46 39.15 1v61 s ILE 96 CO -0.01 -0.67 0.07 0.35 0.00 0.00 0.00 174.94 174.68 1v61 n THR 97 N 4.57 0.00 0.08 2.92 -2.24 -0.89 -0.80 114.28 117.93 1v61 n THR 97 Ca -0.02 -1.05 0.00 0.00 -2.27 0.00 0.00 64.05 60.71 1v61 n THR 97 Cb 0.41 0.38 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 1v61 n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1v61 n GLY 98 N 0.94 -0.15 0.00 3.38 0.00 -1.26 0.18 105.19 108.28 1v61 n GLY 98 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1v61 n GLY 98 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1v61 n SER 99 N -3.28 0.00 0.00 1.61 3.41 -1.26 -4.75 113.62 109.34 1v61 n SER 99 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1v61 n SER 99 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1v61 n SER 99 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1v61 n THR 100 N 0.00 0.00 -2.76 6.66 -1.04 -1.26 -5.06 114.28 110.82 1v61 n THR 100 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 1v61 n THR 100 Cb 0.00 0.00 0.09 0.00 -1.82 0.00 0.00 70.33 68.60 1v61 n THR 100 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1v61 n VAL 101 N 0.00 0.01 -1.55 12.58 0.31 -1.26 -4.93 118.33 123.50 1v61 n VAL 101 Ca 0.00 -1.78 0.05 0.00 -0.01 0.00 0.00 64.34 62.60 1v61 n VAL 101 Cb 0.00 1.22 0.07 0.00 -0.91 0.00 0.00 33.84 34.23 1v61 n VAL 101 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1v61 n GLU 102 N 0.11 0.67 -1.61 5.55 4.07 -1.26 -5.08 120.64 123.09 1v61 n GLU 102 Ca 0.05 -1.86 -0.50 0.00 -0.06 0.00 0.00 57.16 54.80 1v61 n GLU 102 Cb 0.74 -1.01 -0.05 0.00 -0.06 0.00 0.00 31.44 31.06 1v61 n GLU 102 CO 0.00 0.00 0.00 -2.13 -0.06 0.00 0.00 177.13 174.94 1v61 n ARG 103 N -0.72 1.38 -3.91 5.31 0.63 -1.26 -4.44 116.66 113.65 1v61 n ARG 103 Ca 0.08 0.50 -0.30 0.00 -0.92 0.00 0.00 57.85 57.21 1v61 n ARG 103 Cb 0.68 -2.12 -0.16 0.00 0.45 0.00 0.00 32.46 31.31 1v61 n ARG 103 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1v61 s ILE 104 N 0.34 1.43 -0.60 5.15 1.01 0.02 -4.91 121.20 123.64 1v61 s ILE 104 Ca 0.79 -1.27 -0.20 0.00 0.00 0.00 0.00 60.65 59.98 1v61 s ILE 104 Cb -0.86 -1.78 0.10 0.00 0.01 0.00 0.00 42.46 39.92 1v61 s ILE 104 CO 0.47 -0.21 0.76 -0.69 0.00 0.00 0.00 174.94 175.27 1v61 s VAL 105 N 1.42 4.72 -0.12 2.92 1.01 -1.26 0.46 120.40 129.55 1v61 s VAL 105 Ca -0.03 -0.85 -0.24 0.00 0.00 0.00 0.00 61.98 60.87 1v61 s VAL 105 Cb -0.19 -4.53 -0.03 0.00 0.00 0.00 0.00 36.38 31.64 1v61 s VAL 105 CO -0.08 -1.19 0.73 -0.69 0.00 0.00 0.00 175.10 173.88 1v61 s VAL 106 N 2.97 4.99 0.60 2.92 1.01 -1.05 -3.95 120.40 127.88 1v61 s VAL 106 Ca 0.14 1.47 -0.07 0.00 0.00 0.00 0.00 61.98 63.52 1v61 s VAL 106 Cb -0.23 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.10 1v61 s VAL 106 CO 0.07 0.15 0.92 -1.00 0.00 0.00 0.00 175.10 175.25 1v61 s HIS 107 N 1.43 3.31 -0.08 5.22 3.76 -0.07 -3.97 115.29 124.90 1v61 s HIS 107 Ca 0.36 0.74 -0.18 0.00 -0.15 0.00 0.00 55.06 55.84 1v61 s HIS 107 Cb -0.17 -2.74 0.04 0.00 1.11 0.00 0.00 32.58 30.81 1v61 s HIS 107 CO 0.15 -0.82 0.42 0.00 -0.85 0.00 0.00 174.74 173.64 1v61 n ASN 109 N 1.80 1.57 -3.95 0.00 5.15 -1.26 -4.95 115.26 113.62 1v61 n ASN 109 Ca -0.18 0.27 -0.13 0.00 -0.60 0.00 0.00 54.58 53.94 1v61 n ASN 109 Cb 0.56 -0.64 0.05 0.00 -0.53 0.00 0.00 39.78 39.23 1v61 n ASN 109 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1v61 n ASN 110 N -4.03 1.38 -0.67 1.20 4.13 -1.26 -5.03 115.26 110.99 1v61 n ASN 110 Ca -0.35 -2.01 0.08 0.00 1.68 0.00 0.00 54.58 53.98 1v61 n ASN 110 Cb 0.71 -0.29 0.22 0.00 -1.54 0.00 0.00 39.78 38.87 1v61 n ASN 110 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 1v61 n ASN 111 N -2.58 3.24 -0.01 6.41 2.85 -1.26 -4.48 115.26 119.44 1v61 n ASN 111 Ca 0.11 -3.13 -0.01 0.00 -0.11 0.00 0.00 54.58 51.44 1v61 n ASN 111 Cb 0.40 -0.52 -0.00 0.00 1.24 0.00 0.00 39.78 40.90 1v61 n ASN 111 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1v61 n GLN 112 N -0.86 0.04 -0.12 1.20 6.02 -1.26 -3.76 117.38 118.64 1v61 n GLN 112 Ca 0.21 0.08 -0.04 0.00 -0.01 0.00 0.00 57.00 57.23 1v61 n GLN 112 Cb 0.83 -0.63 0.03 0.00 1.02 0.00 0.00 30.24 31.48 1v61 n GLN 112 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 1v61 h ASP 113 N -0.08 -0.15 -0.13 1.08 3.32 -2.01 -1.92 116.42 116.53 1v61 h ASP 113 Ca 0.00 0.09 0.05 0.00 0.02 0.00 0.00 57.03 57.19 1v61 h ASP 113 Cb 0.07 0.16 -0.06 0.00 0.22 0.00 0.00 39.33 39.72 1v61 h ASP 113 CO 0.00 -0.04 -0.23 0.15 -1.72 0.00 0.00 179.24 177.40 1v61 h PHE 114 N 0.11 -0.60 -0.37 4.55 3.04 -1.82 -1.26 116.94 120.59 1v61 h PHE 114 Ca 0.20 0.03 0.04 0.00 3.98 0.00 0.00 57.97 62.22 1v61 h PHE 114 Cb 0.28 0.28 -0.07 0.00 2.56 0.00 0.00 35.95 39.00 1v61 h PHE 114 CO -0.26 -0.31 -0.48 0.37 -2.02 0.00 0.00 178.31 175.61 1v61 h GLN 115 N -0.29 -0.32 -0.24 1.11 4.15 -1.46 0.49 115.11 118.56 1v61 h GLN 115 Ca 0.10 0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.58 1v61 h GLN 115 Cb 0.44 0.07 -0.07 0.00 0.21 0.00 0.00 27.48 28.13 1v61 h GLN 115 CO -0.30 -0.21 -0.53 0.93 -1.93 0.00 0.00 178.83 176.79 1v61 h GLU 116 N -0.33 -0.48 -0.71 1.69 4.39 -1.09 0.90 114.58 118.95 1v61 h GLU 116 Ca 0.07 0.03 0.15 0.00 0.34 0.00 0.00 59.36 59.94 1v61 h GLU 116 Cb 0.51 0.11 -0.13 0.00 -0.10 0.00 0.00 28.75 29.13 1v61 h GLU 116 CO -0.53 -0.32 -0.14 -1.49 -1.16 0.00 0.00 179.01 175.37 1v61 h TRP 117 N -0.50 -0.31 -0.31 4.33 4.06 -0.38 1.16 115.95 124.01 1v61 h TRP 117 Ca 0.06 0.06 -0.02 0.00 2.06 0.00 0.00 58.89 61.05 1v61 h TRP 117 Cb 0.64 0.25 -0.02 0.00 -1.00 0.00 0.00 29.16 29.04 1v61 h TRP 117 CO -0.62 -0.29 0.11 0.52 -3.56 0.00 0.00 178.44 174.60 1v61 h MET 118 N 0.02 0.44 0.48 0.49 2.86 0.24 0.88 114.93 120.33 1v61 h MET 118 Ca 0.35 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.91 1v61 h MET 118 Cb 0.55 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 32.13 1v61 h MET 118 CO -0.71 0.38 -0.23 1.49 1.06 0.00 0.00 176.91 178.90 1v61 h GLU 119 N 0.44 -0.63 0.52 1.72 4.22 0.85 -2.26 114.58 119.44 1v61 h GLU 119 Ca 0.11 0.04 -0.01 0.00 0.08 0.00 0.00 59.36 59.58 1v61 h GLU 119 Cb 0.11 0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1v61 h GLU 119 CO -0.01 -0.42 -0.46 -0.56 -2.18 0.00 0.00 179.01 175.38 1v61 h GLN 120 N -0.76 -0.94 -1.72 1.92 3.07 -0.83 -0.12 115.11 115.74 1v61 h GLN 120 Ca -0.07 0.06 0.50 0.00 0.09 0.00 0.00 58.65 59.23 1v61 h GLN 120 Cb 0.50 0.21 -0.07 0.00 0.08 0.00 0.00 27.48 28.20 1v61 h GLN 120 CO 0.11 -0.62 1.30 -0.07 0.09 0.00 0.00 178.83 179.63 1v61 h LEU 121 N -0.97 0.00 0.01 0.06 3.38 -0.92 2.60 115.31 119.47 1v61 h LEU 121 Ca -0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 1v61 h LEU 121 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1v61 h LEU 121 CO -0.03 0.00 -0.00 -1.13 0.09 0.00 0.00 178.44 177.37 1v61 h ASN 122 N 0.00 -0.01 1.18 -0.43 -0.73 -0.42 -1.64 115.58 113.54 1v61 h ASN 122 Ca 0.82 -0.70 -0.03 0.00 1.87 0.00 0.00 56.30 58.25 1v61 h ASN 122 Cb 3.40 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 41.98 1v61 h ASN 122 CO -0.01 0.70 -0.17 0.08 -0.37 0.00 0.00 177.43 177.67 1v61 h ARG 123 N -0.72 0.00 0.00 6.67 0.11 0.32 -1.62 114.38 119.13 1v61 h ARG 123 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1v61 h ARG 123 Cb 0.71 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.79 1v61 h ARG 123 CO 0.00 0.17 0.00 1.28 0.10 0.00 0.00 179.97 181.52 1v61 n LEU 124 N -3.25 1.41 -0.16 0.08 4.77 0.75 -4.18 117.00 116.41 1v61 n LEU 124 Ca 0.01 0.31 -0.04 0.00 -0.03 0.00 0.00 56.01 56.27 1v61 n LEU 124 Cb 0.45 -0.17 0.03 0.00 -2.33 0.00 0.00 43.42 41.40 1v61 n LEU 124 CO 0.33 -0.17 0.71 0.71 -1.33 0.00 0.00 177.39 177.64 1v61 h THR 125 N 0.00 0.36 -3.32 -5.08 1.35 -1.43 -3.42 112.91 101.37 1v61 h THR 125 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1v61 h THR 125 Cb 0.00 0.36 0.00 0.00 -1.73 0.00 0.00 68.15 66.78 1v61 h THR 125 CO 0.00 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.56 1v61 n LYS 126 N -5.41 2.49 -0.10 4.72 5.02 -0.61 -4.96 118.16 119.31 1v61 n LYS 126 Ca 0.04 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.16 1v61 n LYS 126 Cb 0.31 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.26 1v61 n LYS 126 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1v61 n SER 127 N -0.87 1.90 0.00 4.39 2.88 -1.26 -4.41 113.62 116.24 1v61 n SER 127 Ca 0.00 0.42 0.00 0.00 -1.33 0.00 0.00 58.87 57.96 1v61 n SER 127 Cb 0.00 -0.85 0.00 0.00 -0.75 0.00 0.00 64.21 62.61 1v61 n SER 127 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1v61 n GLY 128 N 1.43 -0.25 3.80 0.46 0.00 -1.26 -4.51 105.19 104.86 1v61 n GLY 128 Ca -0.28 -1.33 -0.30 0.00 0.00 0.00 0.00 46.02 44.11 1v61 n GLY 128 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v61 s PRO 129 N -2.00 1.97 0.03 1.61 0.04 -1.26 -5.05 135.00 130.34 1v61 s PRO 129 Ca 0.00 0.59 0.00 0.00 0.04 0.00 0.00 61.00 61.63 1v61 s PRO 129 Cb 0.00 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.60 1v61 s PRO 129 CO 0.00 -1.69 -0.04 0.45 0.04 0.00 0.00 177.00 175.76 1v61 s SER 130 N -3.92 0.43 0.31 6.66 0.15 -1.26 -5.03 113.70 111.04 1v61 s SER 130 Ca 0.61 -0.67 0.00 0.00 0.70 0.00 0.00 55.95 56.59 1v61 s SER 130 Cb -0.14 0.12 0.00 0.00 -1.71 0.00 0.00 66.02 64.29 1v61 s SER 130 CO 0.54 -0.38 0.00 -1.54 1.20 0.00 0.00 173.24 173.06 1v61 n SER 131 N 1.09 -2.81 0.00 5.45 3.41 -1.26 -5.33 113.62 114.17 1v61 n SER 131 Ca -0.21 0.70 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 1v61 n SER 131 Cb 0.57 2.76 0.00 0.00 -0.26 0.00 0.00 64.21 67.27 1v61 n SER 131 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49