#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 4.83 -0.07 1.61 0.01 -1.26 -5.06 113.70 113.77 1v61 s SER 2 Ca 0.00 1.68 -0.32 0.00 1.31 0.00 0.00 55.95 58.63 1v61 s SER 2 Cb 0.00 -2.46 0.12 0.00 0.21 0.00 0.00 66.02 63.89 1v61 s SER 2 CO 0.00 -1.80 1.18 -0.44 0.41 0.00 0.00 173.24 172.59 1v61 s SER 3 N -3.61 -0.13 -0.57 2.44 0.01 -1.26 -5.08 113.70 105.50 1v61 s SER 3 Ca 0.60 -0.10 0.06 0.00 1.31 0.00 0.00 55.95 57.82 1v61 s SER 3 Cb -0.16 0.21 0.30 0.00 0.21 0.00 0.00 66.02 66.59 1v61 s SER 3 CO 0.56 -0.37 0.83 0.61 0.41 0.00 0.00 173.24 175.27 1v61 n GLY 4 N -0.30 4.98 3.15 3.44 0.00 -1.26 -4.95 105.19 110.25 1v61 n GLY 4 Ca -0.05 -2.62 0.05 0.00 0.00 0.00 0.00 46.02 43.40 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 -2.87 -0.81 0.05 1.61 0.15 -1.26 -5.17 113.70 105.40 1v61 s SER 5 Ca 0.44 0.15 -0.01 0.00 0.70 0.00 0.00 55.95 57.23 1v61 s SER 5 Cb 0.23 1.54 -0.04 0.00 -1.71 0.00 0.00 66.02 66.04 1v61 s SER 5 CO -0.08 -0.15 -0.03 -0.94 1.20 0.00 0.00 173.24 173.23 1v61 s SER 6 N 2.92 0.55 -0.30 5.45 1.04 -1.26 -5.05 113.70 117.05 1v61 s SER 6 Ca 0.19 -0.99 -0.19 0.00 0.48 0.00 0.00 55.95 55.45 1v61 s SER 6 Cb -0.06 0.19 0.19 0.00 0.10 0.00 0.00 66.02 66.44 1v61 s SER 6 CO -0.23 -0.58 1.27 -0.83 0.98 0.00 0.00 173.24 173.86 1v61 s GLY 7 N -2.90 0.21 0.49 7.32 0.00 -1.26 -5.08 107.32 106.09 1v61 s GLY 7 Ca 0.07 3.56 0.01 0.00 0.00 0.00 0.00 44.72 48.36 1v61 s GLY 7 CO -0.09 3.49 0.10 -1.06 0.00 0.00 0.00 173.10 175.54 1v61 n GLN 8 N 4.73 0.81 -2.05 2.90 6.02 -1.26 -4.74 117.38 123.79 1v61 n GLN 8 Ca -0.07 -3.42 -0.34 0.00 -0.01 0.00 0.00 57.00 53.16 1v61 n GLN 8 Cb 0.55 0.78 0.02 0.00 1.02 0.00 0.00 30.24 32.61 1v61 n GLN 8 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1v61 s ILE 9 N -2.68 3.18 0.20 5.09 -1.09 -1.26 -4.91 121.20 119.73 1v61 s ILE 9 Ca 0.08 0.66 -0.24 0.00 -2.23 0.00 0.00 60.65 58.92 1v61 s ILE 9 Cb -0.01 -3.21 0.10 0.00 -1.58 0.00 0.00 42.46 37.76 1v61 s ILE 9 CO 0.05 -0.24 1.55 0.17 -1.23 0.00 0.00 174.94 175.24 1v61 h LEU 10 N 0.72 -1.74 0.00 2.97 8.10 -2.01 -3.46 115.31 119.90 1v61 h LEU 10 Ca -0.49 0.31 0.00 0.00 0.11 0.00 0.00 57.88 57.82 1v61 h LEU 10 Cb 1.26 0.83 0.00 0.00 -0.44 0.00 0.00 40.66 42.31 1v61 h LEU 10 CO 0.56 -0.27 0.00 -1.20 -4.11 0.00 0.00 178.44 173.42 1v61 n SER 11 N -5.38 0.00 -4.10 0.17 7.64 -1.26 -5.15 113.62 105.54 1v61 n SER 11 Ca 0.06 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.58 1v61 n SER 11 Cb 0.34 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.61 1v61 n SER 11 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1v61 n GLU 12 N 0.00 -0.36 -2.53 1.43 1.02 -1.26 -4.89 120.64 114.05 1v61 n GLU 12 Ca 0.00 -0.10 -0.36 0.00 -0.02 0.00 0.00 57.16 56.68 1v61 n GLU 12 Cb 0.00 -1.24 -0.04 0.00 -0.02 0.00 0.00 31.44 30.15 1v61 n GLU 12 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1v61 s PRO 13 N -2.47 4.06 0.15 3.49 0.04 -1.26 -4.99 135.00 134.01 1v61 s PRO 13 Ca 0.43 1.48 -0.30 0.00 0.04 0.00 0.00 61.00 62.65 1v61 s PRO 13 Cb -0.04 -2.42 -0.08 0.00 0.04 0.00 0.00 34.50 32.00 1v61 s PRO 13 CO 0.70 -0.23 1.26 0.42 0.04 0.00 0.00 177.00 179.19 1v61 s ILE 14 N -1.74 3.54 0.64 0.56 1.01 -1.26 -4.85 121.20 119.11 1v61 s ILE 14 Ca 0.60 1.21 -0.16 0.00 0.00 0.00 0.00 60.65 62.30 1v61 s ILE 14 Cb -0.21 -3.77 -0.01 0.00 0.01 0.00 0.00 42.46 38.48 1v61 s ILE 14 CO 0.26 0.15 1.15 -1.58 0.00 0.00 0.00 174.94 174.92 1v61 s GLN 15 N 0.33 2.77 -1.32 2.79 0.74 -1.05 -3.38 119.66 120.54 1v61 s GLN 15 Ca 0.57 1.58 -0.03 0.00 0.05 0.00 0.00 55.36 57.53 1v61 s GLN 15 Cb -0.34 -1.93 -0.00 0.00 1.10 0.00 0.00 33.01 31.84 1v61 s GLN 15 CO 0.34 -1.31 0.59 0.00 -0.55 0.00 0.00 175.29 174.36 1v61 n ALA 16 N -2.16 -2.10 -2.84 1.58 0.00 -1.26 -1.83 120.51 111.90 1v61 n ALA 16 Ca 0.12 -0.22 -0.37 0.00 0.00 0.00 0.00 53.44 52.97 1v61 n ALA 16 Cb 0.51 -2.11 -0.07 0.00 0.00 0.00 0.00 19.45 17.78 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 -3.77 3.55 -0.02 0.00 -0.11 -1.22 -4.41 118.94 112.96 1v61 s TRP 17 Ca 0.08 0.48 -0.02 0.00 1.22 0.00 0.00 56.10 57.86 1v61 s TRP 17 Cb -0.03 -2.00 0.01 0.00 -1.50 0.00 0.00 33.47 29.95 1v61 s TRP 17 CO 0.85 0.62 0.06 -1.83 -4.62 0.00 0.00 176.95 172.04 1v61 s GLU 18 N -0.67 0.06 0.00 5.86 -1.05 -1.26 -5.06 118.70 116.57 1v61 s GLU 18 Ca 0.13 0.11 0.00 0.00 -0.15 0.00 0.00 54.97 55.06 1v61 s GLU 18 Cb -0.12 0.00 0.00 0.00 -0.44 0.00 0.00 34.13 33.57 1v61 s GLU 18 CO 0.03 -0.03 0.00 0.41 0.95 0.00 0.00 175.26 176.62 1v61 n GLY 19 N 3.19 0.33 1.57 -3.83 0.00 -1.26 -4.94 105.19 100.26 1v61 n GLY 19 Ca -0.14 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 0.00 0.03 -3.63 1.61 -0.08 -1.26 -5.13 116.55 108.09 1v61 n ASP 20 Ca 0.00 0.02 -0.06 0.00 -1.51 0.00 0.00 54.79 53.24 1v61 n ASP 20 Cb 0.00 0.01 -0.06 0.00 2.34 0.00 0.00 41.12 43.40 1v61 n ASP 20 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1v61 s ASP 21 N -5.03 -0.24 0.26 1.67 1.01 -1.26 -5.00 116.67 108.08 1v61 s ASP 21 Ca 0.00 0.39 0.25 0.00 0.71 0.00 0.00 52.55 53.91 1v61 s ASP 21 Cb 0.00 0.38 0.91 0.00 1.01 0.00 0.00 42.92 45.22 1v61 s ASP 21 CO 0.00 -0.12 1.75 -0.29 0.21 0.00 0.00 175.17 176.72 1v61 h ILE 22 N 3.00 0.00 -0.01 0.77 2.10 -1.98 -2.03 117.51 119.35 1v61 h ILE 22 Ca -0.23 -0.37 0.00 0.00 1.08 0.00 0.00 64.86 65.34 1v61 h ILE 22 Cb 1.18 1.23 0.00 0.00 -1.09 0.00 0.00 36.82 38.15 1v61 h ILE 22 CO 0.19 0.00 -0.42 0.29 -1.08 0.00 0.00 178.15 177.13 1v61 n LYS 23 N -2.32 0.63 0.06 2.19 4.76 -1.26 -3.77 118.16 118.46 1v61 n LYS 23 Ca 0.04 -0.42 0.02 0.00 -2.87 0.00 0.00 58.31 55.08 1v61 n LYS 23 Cb 0.33 -1.49 -0.05 0.00 -1.84 0.00 0.00 35.03 31.97 1v61 n LYS 23 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1v61 h THR 24 N 1.02 0.49 0.00 -0.18 1.03 -1.75 -3.41 112.91 110.10 1v61 h THR 24 Ca 0.00 -1.88 0.00 0.00 -0.01 0.00 0.00 66.41 64.52 1v61 h THR 24 Cb 0.55 2.03 0.00 0.00 -1.07 0.00 0.00 68.15 69.65 1v61 h THR 24 CO 0.00 0.28 0.00 0.18 -0.01 0.00 0.00 175.52 175.97 1v61 n LEU 25 N -2.92 1.69 0.00 0.00 4.77 -1.21 -5.04 117.00 114.29 1v61 n LEU 25 Ca -0.06 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1v61 n LEU 25 Cb 0.78 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.87 1v61 n LEU 25 CO 0.42 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1v61 n GLY 26 N 1.67 0.87 3.51 -0.72 0.00 -1.26 -5.02 105.19 104.25 1v61 n GLY 26 Ca 0.00 -0.74 -0.29 0.00 0.00 0.00 0.00 46.02 45.00 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 0.00 1.22 -0.56 1.61 2.47 -1.26 -4.75 114.94 113.67 1v61 s ASN 27 Ca 0.00 1.67 -0.19 0.00 0.42 0.00 0.00 52.86 54.76 1v61 s ASN 27 Cb 0.00 -2.38 0.09 0.00 -1.45 0.00 0.00 41.25 37.50 1v61 s ASN 27 CO 0.00 -4.07 0.69 -0.69 -3.72 0.00 0.00 177.10 169.30 1v61 s VAL 28 N -2.47 4.82 0.00 -5.21 1.01 -1.26 -4.09 120.40 113.20 1v61 s VAL 28 Ca 0.68 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.88 1v61 s VAL 28 Cb -0.25 -4.43 0.00 0.00 0.00 0.00 0.00 36.38 31.70 1v61 s VAL 28 CO 0.64 -1.02 0.59 -0.38 0.00 0.00 0.00 175.10 174.92 1v61 n ILE 29 N 5.59 0.00 -4.27 2.22 5.41 0.52 -4.68 119.36 124.15 1v61 n ILE 29 Ca -0.08 1.09 -0.32 0.00 1.00 0.00 0.00 62.75 64.44 1v61 n ILE 29 Cb 0.44 -1.98 -0.16 0.00 -0.71 0.00 0.00 39.64 37.22 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 -1.36 2.60 -0.09 1.39 2.19 -1.26 -4.78 117.98 116.67 1v61 s PHE 30 Ca 0.00 -1.45 0.02 0.00 0.33 0.00 0.00 56.93 55.83 1v61 s PHE 30 Cb 0.00 -1.81 0.01 0.00 -1.31 0.00 0.00 43.02 39.91 1v61 s PHE 30 CO 0.00 -0.71 -0.16 1.41 1.83 0.00 0.00 175.22 177.59 1v61 s MET 31 N 1.18 2.19 0.30 10.12 -2.45 -1.26 -3.66 119.30 125.70 1v61 s MET 31 Ca 0.01 -0.57 -0.20 0.00 -1.25 0.00 0.00 55.69 53.68 1v61 s MET 31 Cb -0.14 -1.79 0.03 0.00 1.25 0.00 0.00 34.83 34.18 1v61 s MET 31 CO -0.09 0.02 0.75 -1.12 1.05 0.00 0.00 175.02 175.63 1v61 s SER 32 N 0.75 -0.19 -0.53 1.11 0.01 -1.25 -5.01 113.70 108.58 1v61 s SER 32 Ca -0.12 -0.73 -0.24 0.00 1.31 0.00 0.00 55.95 56.17 1v61 s SER 32 Cb -0.16 0.75 0.04 0.00 0.21 0.00 0.00 66.02 66.86 1v61 s SER 32 CO 0.02 -1.41 0.94 -1.58 0.41 0.00 0.00 173.24 171.63 1v61 s GLN 33 N -3.49 3.37 0.52 12.44 0.74 -1.26 -3.49 119.66 128.49 1v61 s GLN 33 Ca 0.12 -0.16 0.07 0.00 0.05 0.00 0.00 55.36 55.44 1v61 s GLN 33 Cb -0.06 -4.03 0.04 0.00 1.10 0.00 0.00 33.01 30.07 1v61 s GLN 33 CO 0.08 -1.44 0.52 0.14 -0.55 0.00 0.00 175.29 174.04 1v61 s VAL 34 N 3.94 2.03 -0.11 1.34 -7.23 0.79 -4.92 120.40 116.24 1v61 s VAL 34 Ca 0.32 -1.31 -0.01 0.00 -1.81 0.00 0.00 61.98 59.17 1v61 s VAL 34 Cb -0.12 -2.34 0.03 0.00 0.56 0.00 0.00 36.38 34.52 1v61 s VAL 34 CO 0.21 0.00 -0.04 -0.69 -0.31 0.00 0.00 175.10 174.27 1v61 s VAL 35 N -2.67 0.78 -0.06 1.32 1.01 -1.24 0.79 120.40 120.33 1v61 s VAL 35 Ca 0.45 -0.20 -0.02 0.00 0.00 0.00 0.00 61.98 62.21 1v61 s VAL 35 Cb -0.04 -0.89 0.03 0.00 0.00 0.00 0.00 36.38 35.48 1v61 s VAL 35 CO 0.28 0.27 0.05 -0.32 0.00 0.00 0.00 175.10 175.38 1v61 s MET 36 N 1.80 0.11 0.09 2.72 -2.45 0.47 0.45 119.30 122.48 1v61 s MET 36 Ca 0.04 0.28 0.07 0.00 -1.25 0.00 0.00 55.69 54.83 1v61 s MET 36 Cb -0.13 -0.72 -0.04 0.00 1.25 0.00 0.00 34.83 35.19 1v61 s MET 36 CO -0.07 -0.35 -0.10 -1.14 1.05 0.00 0.00 175.02 174.42 1v61 s GLN 37 N 2.12 2.18 -0.01 4.11 0.74 -1.25 -4.45 119.66 123.08 1v61 s GLN 37 Ca 0.05 -0.99 -0.00 0.00 0.05 0.00 0.00 55.36 54.46 1v61 s GLN 37 Cb -0.12 -2.33 -0.00 0.00 1.10 0.00 0.00 33.01 31.66 1v61 s GLN 37 CO -0.04 0.52 0.05 0.45 -0.55 0.00 0.00 175.29 175.72 1v61 h HIS 38 N 3.71 -0.01 0.00 1.67 3.86 -1.96 -3.39 115.15 119.04 1v61 h HIS 38 Ca -0.49 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.72 1v61 h HIS 38 Cb 1.17 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.64 1v61 h HIS 38 CO 0.60 -0.01 0.00 0.41 0.86 0.00 0.00 177.93 179.79 1v61 n GLY 39 N 1.82 4.14 3.26 2.45 0.00 -1.26 -5.02 105.19 110.58 1v61 n GLY 39 Ca -0.00 -0.51 -0.36 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.00 2.94 0.00 4.61 0.00 -1.26 -4.92 121.76 121.13 1v61 s ALA 40 Ca 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.35 1v61 s ALA 40 Cb 0.00 -2.06 0.00 0.00 0.00 0.00 0.00 23.12 21.06 1v61 s ALA 40 CO 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 175.76 174.65 1v61 n GLU 42 N -1.88 0.00 -1.93 0.00 1.02 -1.26 -5.17 120.64 111.41 1v61 n GLU 42 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1v61 n GLU 42 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1v61 n GLU 42 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1v61 n GLU 43 N -1.13 0.13 -1.45 3.49 -0.58 -1.26 -5.12 120.64 114.70 1v61 n GLU 43 Ca 0.00 0.00 -0.40 0.00 -0.42 0.00 0.00 57.16 56.34 1v61 n GLU 43 Cb 0.00 0.00 0.02 0.00 -0.57 0.00 0.00 31.44 30.89 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 0.56 -3.70 3.49 5.02 -1.26 -4.93 118.16 117.34 1v61 n LYS 44 Ca 0.00 0.21 -0.38 0.00 -2.02 0.00 0.00 58.31 56.12 1v61 n LYS 44 Cb 0.00 -1.58 -0.10 0.00 -0.02 0.00 0.00 35.03 33.33 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 -1.76 2.22 -0.02 1.97 2.12 -1.26 -5.02 118.70 116.95 1v61 s GLU 45 Ca 0.65 -1.90 -0.28 0.00 0.36 0.00 0.00 54.97 53.80 1v61 s GLU 45 Cb -0.53 -3.71 -0.03 0.00 0.26 0.00 0.00 34.13 30.11 1v61 s GLU 45 CO 0.57 -1.12 0.88 -2.00 -0.54 0.00 0.00 175.26 173.05 1v61 s GLU 46 N 1.04 4.52 0.35 4.30 -6.30 -1.26 0.18 118.70 121.52 1v61 s GLU 46 Ca 0.09 1.23 -0.02 0.00 -2.50 0.00 0.00 54.97 53.76 1v61 s GLU 46 Cb -0.23 -3.45 0.00 0.00 0.00 0.00 0.00 34.13 30.45 1v61 s GLU 46 CO -0.03 0.00 0.48 1.03 0.02 0.00 0.00 175.26 176.76 1v61 s ARG 47 N 0.90 1.94 -0.08 4.30 0.52 0.24 -4.90 118.95 121.87 1v61 s ARG 47 Ca 0.47 -1.78 0.04 0.00 -0.52 0.00 0.00 55.73 53.93 1v61 s ARG 47 Cb -0.20 0.44 -0.01 0.00 0.52 0.00 0.00 34.95 35.70 1v61 s ARG 47 CO 0.24 -0.80 -0.20 -0.47 0.02 0.00 0.00 175.30 174.09 1v61 s TYR 48 N -3.00 2.58 -0.13 -0.53 5.04 -0.44 -0.15 117.35 120.72 1v61 s TYR 48 Ca 0.31 -0.63 0.02 0.00 -2.44 0.00 0.00 57.07 54.33 1v61 s TYR 48 Cb -0.01 -1.67 0.01 0.00 0.35 0.00 0.00 41.96 40.64 1v61 s TYR 48 CO 0.21 -0.16 -0.21 -0.06 -1.34 0.00 0.00 175.55 173.99 1v61 s PHE 49 N -0.11 2.59 -0.27 4.97 0.40 -1.23 -0.39 117.98 123.94 1v61 s PHE 49 Ca -0.04 -1.29 -0.01 0.00 -0.60 0.00 0.00 56.93 54.99 1v61 s PHE 49 Cb -0.14 -1.77 0.04 0.00 0.51 0.00 0.00 43.02 41.66 1v61 s PHE 49 CO 0.04 -0.59 -0.04 -0.51 0.70 0.00 0.00 175.22 174.82 1v61 s LEU 50 N 0.81 3.52 -0.38 -0.37 1.43 0.26 -3.96 118.68 119.99 1v61 s LEU 50 Ca -0.08 -1.08 -0.23 0.00 -1.03 0.00 0.00 54.13 51.71 1v61 s LEU 50 Cb -0.16 -1.68 0.01 0.00 0.03 0.00 0.00 46.19 44.40 1v61 s LEU 50 CO -0.01 -0.19 0.80 -0.22 0.23 0.00 0.00 176.35 176.96 1v61 s LEU 51 N 1.28 4.13 0.00 1.79 2.96 -1.24 -1.04 118.68 126.56 1v61 s LEU 51 Ca -0.03 0.29 0.23 0.00 -0.22 0.00 0.00 54.13 54.41 1v61 s LEU 51 Cb -0.18 -3.04 0.47 0.00 0.50 0.00 0.00 46.19 43.94 1v61 s LEU 51 CO -0.03 -0.78 1.43 0.49 -1.32 0.00 0.00 176.35 176.14 1v61 n PHE 52 N 6.52 0.58 -3.12 5.38 3.01 -1.00 -0.35 117.46 128.48 1v61 n PHE 52 Ca 0.03 -0.29 -0.14 0.00 1.01 0.00 0.00 57.45 58.07 1v61 n PHE 52 Cb 0.48 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 40.00 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 1.52 -4.41 0.00 4.37 2.88 -1.26 -4.36 113.62 112.36 1v61 n SER 53 Ca 0.20 -0.31 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 1v61 n SER 53 Cb 0.61 -3.11 0.00 0.00 -0.75 0.00 0.00 64.21 60.96 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 -1.15 0.00 -3.78 -3.46 2.88 -1.26 -5.00 113.62 101.85 1v61 n SER 54 Ca -0.00 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.41 1v61 n SER 54 Cb 0.54 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.90 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 0.04 -0.72 2.46 0.11 -1.26 0.20 120.40 121.22 1v61 s VAL 55 Ca 0.00 -0.35 -0.15 0.00 -2.93 0.00 0.00 61.98 58.55 1v61 s VAL 55 Cb 0.00 -0.52 0.18 0.00 -1.53 0.00 0.00 36.38 34.51 1v61 s VAL 55 CO 0.00 -0.19 0.68 -0.22 -3.33 0.00 0.00 175.10 172.04 1v61 s LEU 56 N -0.84 6.51 0.03 2.54 1.98 0.54 -2.38 118.68 127.07 1v61 s LEU 56 Ca -0.09 -2.34 -0.30 0.00 -2.89 0.00 0.00 54.13 48.50 1v61 s LEU 56 Cb -0.05 -2.21 -0.05 0.00 0.66 0.00 0.00 46.19 44.54 1v61 s LEU 56 CO 0.03 -0.69 1.15 -0.63 -1.89 0.00 0.00 176.35 174.31 1v61 s ILE 57 N 0.75 4.26 -0.11 6.68 -1.09 -0.21 -2.57 121.20 128.91 1v61 s ILE 57 Ca 0.13 1.62 0.00 0.00 -2.23 0.00 0.00 60.65 60.17 1v61 s ILE 57 Cb -0.17 -4.04 -0.02 0.00 -1.58 0.00 0.00 42.46 36.65 1v61 s ILE 57 CO -0.04 0.11 -0.12 -0.04 -1.23 0.00 0.00 174.94 173.62 1v61 s MET 58 N 1.22 3.13 0.24 2.79 -1.94 -1.23 0.93 119.30 124.43 1v61 s MET 58 Ca 0.57 -0.65 0.10 0.00 -1.71 0.00 0.00 55.69 54.00 1v61 s MET 58 Cb -0.27 -2.60 -0.05 0.00 2.01 0.00 0.00 34.83 33.93 1v61 s MET 58 CO 0.28 0.37 -0.18 -0.51 -0.01 0.00 0.00 175.02 174.96 1v61 s LEU 59 N -0.05 2.56 -0.03 -0.03 1.02 0.47 -0.62 118.68 122.00 1v61 s LEU 59 Ca -0.02 -1.00 -0.01 0.00 0.02 0.00 0.00 54.13 53.12 1v61 s LEU 59 Cb -0.14 -0.95 0.02 0.00 0.02 0.00 0.00 46.19 45.14 1v61 s LEU 59 CO 0.04 -0.02 0.07 -0.44 0.02 0.00 0.00 176.35 176.01 1v61 s SER 60 N -3.32 -0.02 0.21 2.29 0.01 0.22 -1.33 113.70 111.76 1v61 s SER 60 Ca 0.26 0.12 0.01 0.00 1.31 0.00 0.00 55.95 57.66 1v61 s SER 60 Cb -0.04 0.06 0.01 0.00 0.21 0.00 0.00 66.02 66.26 1v61 s SER 60 CO 0.11 -0.09 0.11 0.00 0.41 0.00 0.00 173.24 173.79 1v61 n ALA 61 N 3.76 0.28 0.00 1.44 0.00 -1.26 -1.20 120.51 123.52 1v61 n ALA 61 Ca -0.22 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.37 1v61 n ALA 61 Cb 0.54 0.39 0.00 0.00 0.00 0.00 0.00 19.45 20.38 1v61 n ALA 61 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1v61 n SER 62 N -1.71 0.00 -2.91 0.00 2.88 -1.26 -5.03 113.62 105.59 1v61 n SER 62 Ca -0.03 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.38 1v61 n SER 62 Cb 0.24 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 63.80 1v61 n SER 62 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1v61 n PRO 63 N 0.00 -1.26 -3.23 -1.46 -0.04 -1.26 -5.04 135.00 122.71 1v61 n PRO 63 Ca 0.00 -0.85 -0.24 0.00 -0.04 0.00 0.00 63.50 62.37 1v61 n PRO 63 Cb 0.00 -0.67 -0.06 0.00 -0.04 0.00 0.00 33.50 32.73 1v61 n PRO 63 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1v61 n ARG 64 N -2.62 1.40 0.00 0.54 1.85 -1.26 -4.78 116.66 111.79 1v61 n ARG 64 Ca 0.07 -3.73 0.00 0.00 -1.00 0.00 0.00 57.85 53.19 1v61 n ARG 64 Cb 0.26 -1.63 0.00 0.00 -1.05 0.00 0.00 32.46 30.04 1v61 n ARG 64 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1v61 n MET 65 N 0.98 0.00 -2.15 2.89 0.00 -1.26 -5.15 117.12 112.43 1v61 n MET 65 Ca 0.25 0.00 -0.31 0.00 0.00 0.00 0.00 57.70 57.64 1v61 n MET 65 Cb 0.51 0.00 -0.01 0.00 0.00 0.00 0.00 33.22 33.72 1v61 n MET 65 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 1v61 s SER 66 N 0.00 6.37 0.00 3.17 0.01 -1.26 -5.07 113.70 116.91 1v61 s SER 66 Ca 0.00 1.40 0.00 0.00 1.31 0.00 0.00 55.95 58.66 1v61 s SER 66 Cb 0.00 -2.45 0.00 0.00 0.21 0.00 0.00 66.02 63.78 1v61 s SER 66 CO 0.00 -0.73 0.00 0.61 0.41 0.00 0.00 173.24 173.53 1v61 n GLY 67 N -2.27 -2.01 3.48 3.44 0.00 -1.26 -4.95 105.19 101.61 1v61 n GLY 67 Ca 0.05 -0.20 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 2.01 -0.17 1.61 0.08 -1.26 -4.87 117.98 115.38 1v61 s PHE 68 Ca 0.00 -0.95 -0.00 0.00 0.12 0.00 0.00 56.93 56.10 1v61 s PHE 68 Cb 0.00 -1.34 0.04 0.00 -0.57 0.00 0.00 43.02 41.15 1v61 s PHE 68 CO 0.00 0.04 -0.08 1.41 -0.10 0.00 0.00 175.22 176.49 1v61 s MET 69 N -3.86 1.68 0.35 0.44 1.75 -0.35 -2.54 119.30 116.78 1v61 s MET 69 Ca 0.35 -0.58 -0.28 0.00 -1.25 0.00 0.00 55.69 53.93 1v61 s MET 69 Cb 0.08 -2.09 -0.10 0.00 2.84 0.00 0.00 34.83 35.57 1v61 s MET 69 CO 0.15 -0.40 1.28 -0.47 -0.65 0.00 0.00 175.02 174.94 1v61 s TYR 70 N 1.56 3.04 -0.33 4.11 6.14 -0.76 0.73 117.35 131.85 1v61 s TYR 70 Ca 0.01 1.45 -0.00 0.00 0.64 0.00 0.00 57.07 59.16 1v61 s TYR 70 Cb -0.15 -3.62 0.13 0.00 0.42 0.00 0.00 41.96 38.74 1v61 s TYR 70 CO -0.08 -1.77 0.26 -0.65 0.64 0.00 0.00 175.55 173.95 1v61 s GLN 71 N -1.91 0.43 0.54 4.97 -1.52 0.21 -4.84 119.66 117.54 1v61 s GLN 71 Ca 0.51 -0.70 0.00 0.00 -1.95 0.00 0.00 55.36 53.22 1v61 s GLN 71 Cb -0.38 -0.94 0.00 0.00 -0.22 0.00 0.00 33.01 31.47 1v61 s GLN 71 CO 0.50 -1.11 0.00 0.41 -0.25 0.00 0.00 175.29 174.84 1v61 n GLY 72 N 4.72 -3.07 3.17 3.09 0.00 -1.26 -4.42 105.19 107.41 1v61 n GLY 72 Ca 0.04 -1.09 -0.11 0.00 0.00 0.00 0.00 46.02 44.86 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 -3.83 0.29 -0.26 1.61 -2.85 -1.26 -3.57 119.74 109.86 1v61 s LYS 73 Ca 0.00 0.79 -0.12 0.00 -1.00 0.00 0.00 55.97 55.64 1v61 s LYS 73 Cb 0.00 0.04 -0.05 0.00 -2.06 0.00 0.00 37.83 35.77 1v61 s LYS 73 CO 0.00 -0.21 0.23 0.42 0.10 0.00 0.00 175.35 175.89 1v61 s ILE 74 N 1.88 5.29 -0.00 3.79 1.01 -1.06 -4.88 121.20 127.23 1v61 s ILE 74 Ca -0.05 0.27 -0.30 0.00 0.00 0.00 0.00 60.65 60.57 1v61 s ILE 74 Cb -0.10 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.76 1v61 s ILE 74 CO -0.11 0.26 1.19 -2.16 0.00 0.00 0.00 174.94 174.13 1v61 s PRO 75 N 1.58 4.39 0.61 2.79 0.04 -1.26 0.20 135.00 143.35 1v61 s PRO 75 Ca 0.09 1.71 0.31 0.00 0.04 0.00 0.00 61.00 63.15 1v61 s PRO 75 Cb -0.15 -3.47 1.76 0.00 0.04 0.00 0.00 34.50 32.68 1v61 s PRO 75 CO 0.09 -0.35 2.12 0.82 0.04 0.00 0.00 177.00 179.72 1v61 h ILE 76 N 4.79 0.37 0.12 0.56 1.08 0.19 -1.27 117.51 123.35 1v61 h ILE 76 Ca -0.38 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.09 1v61 h ILE 76 Cb 1.19 0.85 -0.01 0.00 -3.07 0.00 0.00 36.82 35.78 1v61 h ILE 76 CO 0.84 0.00 -0.12 0.00 -0.69 0.00 0.00 178.15 178.18 1v61 h ALA 77 N 1.76 -0.84 -0.31 1.87 0.00 -1.91 -2.37 119.26 117.47 1v61 h ALA 77 Ca 0.06 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1v61 h ALA 77 Cb 0.42 0.37 -0.06 0.00 0.00 0.00 0.00 17.79 18.53 1v61 h ALA 77 CO -0.00 -0.85 0.12 0.41 0.00 0.00 0.00 179.25 178.93 1v61 n GLY 78 N -1.13 2.51 3.74 0.00 0.00 -0.97 -4.87 105.19 104.45 1v61 n GLY 78 Ca -0.03 -0.40 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.54 4.32 -0.33 1.61 0.00 -0.52 -4.20 119.30 118.65 1v61 s MET 79 Ca 0.22 0.55 -0.03 0.00 0.00 0.00 0.00 55.69 56.44 1v61 s MET 79 Cb 0.18 -3.41 0.06 0.00 0.00 0.00 0.00 34.83 31.66 1v61 s MET 79 CO 0.06 0.22 0.05 0.08 0.00 0.00 0.00 175.02 175.43 1v61 s VAL 80 N 0.39 3.15 0.07 10.11 1.01 -0.86 -4.89 120.40 129.37 1v61 s VAL 80 Ca 0.28 -1.47 0.01 0.00 0.00 0.00 0.00 61.98 60.80 1v61 s VAL 80 Cb -0.16 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.30 1v61 s VAL 80 CO 0.13 -0.23 0.15 -0.69 0.00 0.00 0.00 175.10 174.46 1v61 s VAL 81 N 1.25 5.02 -0.30 2.92 1.01 -1.26 -2.59 120.40 126.46 1v61 s VAL 81 Ca -0.02 -0.55 -0.28 0.00 0.00 0.00 0.00 61.98 61.13 1v61 s VAL 81 Cb -0.20 -3.44 0.20 0.00 0.00 0.00 0.00 36.38 32.94 1v61 s VAL 81 CO -0.01 0.14 1.42 0.54 0.00 0.00 0.00 175.10 177.18 1v61 s ASN 82 N -2.45 -0.02 -0.23 3.32 2.20 -1.25 -4.95 114.94 111.56 1v61 s ASN 82 Ca 0.32 0.02 -0.04 0.00 -0.94 0.00 0.00 52.86 52.23 1v61 s ASN 82 Cb -0.13 0.02 -0.04 0.00 -2.00 0.00 0.00 41.25 39.11 1v61 s ASN 82 CO 0.25 -0.01 2.89 -2.11 -2.94 0.00 0.00 177.10 175.18 1v61 n ARG 83 N 0.87 2.04 -3.87 3.55 1.85 -1.26 -2.00 116.66 117.84 1v61 n ARG 83 Ca -0.03 -1.54 -0.30 0.00 -1.00 0.00 0.00 57.85 54.98 1v61 n ARG 83 Cb 0.58 -1.91 0.01 0.00 -1.05 0.00 0.00 32.46 30.09 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 1.42 -1.42 -0.12 2.89 7.99 -1.26 -4.77 117.00 121.73 1v61 n LEU 84 Ca 0.39 -1.06 0.09 0.00 -0.01 0.00 0.00 56.01 55.43 1v61 n LEU 84 Cb 0.68 -1.61 0.51 0.00 -0.11 0.00 0.00 43.42 42.89 1v61 n LEU 84 CO 0.23 0.51 0.83 -0.67 -1.51 0.00 0.00 177.39 176.78 1v61 n ASP 85 N -2.51 0.37 0.00 -1.43 -0.08 -1.26 -3.44 116.55 108.20 1v61 n ASP 85 Ca -0.27 -1.49 0.07 0.00 -1.51 0.00 0.00 54.79 51.59 1v61 n ASP 85 Cb 0.66 -0.02 0.35 0.00 2.34 0.00 0.00 41.12 44.45 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 -0.54 0.15 0.00 -0.67 1.02 -1.26 -4.65 120.64 114.70 1v61 n GLU 86 Ca 0.14 0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.46 1v61 n GLU 86 Cb 0.12 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 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 -1.34 0.00 -3.55 -3.67 5.41 -1.22 -5.14 119.36 109.85 1v61 n ILE 87 Ca 0.06 0.00 -0.06 0.00 1.00 0.00 0.00 62.75 63.75 1v61 n ILE 87 Cb 0.13 0.00 -0.08 0.00 -0.71 0.00 0.00 39.64 38.98 1v61 n ILE 87 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1v61 s GLU 88 N 4.23 0.39 -0.96 0.38 2.02 -1.26 -4.96 118.70 118.54 1v61 s GLU 88 Ca 0.00 1.01 -0.05 0.00 0.02 0.00 0.00 54.97 55.95 1v61 s GLU 88 Cb 0.00 0.29 -0.05 0.00 0.10 0.00 0.00 34.13 34.46 1v61 s GLU 88 CO 0.00 -0.35 0.85 0.41 0.02 0.00 0.00 175.26 176.19 1v61 n GLY 89 N 5.40 -1.14 3.10 -1.39 0.00 -1.26 -5.02 105.19 104.88 1v61 n GLY 89 Ca -0.07 0.55 -0.00 0.00 0.00 0.00 0.00 46.02 46.49 1v61 n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1v61 s SER 90 N -3.30 -1.10 -0.28 1.61 0.01 -1.26 -5.11 113.70 104.27 1v61 s SER 90 Ca 0.36 -0.31 0.01 0.00 1.31 0.00 0.00 55.95 57.32 1v61 s SER 90 Cb -0.05 1.77 0.08 0.00 0.21 0.00 0.00 66.02 68.04 1v61 s SER 90 CO 0.72 -0.27 0.01 -1.81 0.41 0.00 0.00 173.24 172.31 1v61 s ASP 91 N 2.40 4.10 -0.05 2.44 1.01 -1.26 -4.85 116.67 120.45 1v61 s ASP 91 Ca 0.12 -1.53 0.02 0.00 0.71 0.00 0.00 52.55 51.87 1v61 s ASP 91 Cb -0.09 -1.19 0.06 0.00 1.01 0.00 0.00 42.92 42.70 1v61 s ASP 91 CO -0.19 -0.32 0.57 0.00 0.21 0.00 0.00 175.17 175.43 1v61 n MET 93 N -0.21 -2.21 -3.63 0.00 0.00 -1.26 -4.90 117.12 104.90 1v61 n MET 93 Ca -0.04 0.00 -0.10 0.00 0.00 0.00 0.00 57.70 57.57 1v61 n MET 93 Cb 0.51 0.00 -0.02 0.00 0.00 0.00 0.00 33.22 33.71 1v61 n MET 93 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 175.97 175.38 1v61 s PHE 94 N -2.00 -0.37 -0.07 3.17 -0.71 -1.26 -4.16 117.98 112.58 1v61 s PHE 94 Ca 0.00 0.04 0.04 0.00 -1.04 0.00 0.00 56.93 55.97 1v61 s PHE 94 Cb 0.00 0.63 0.00 0.00 -1.21 0.00 0.00 43.02 42.44 1v61 s PHE 94 CO 0.00 -1.04 -0.18 -1.83 -1.34 0.00 0.00 175.22 170.83 1v61 s GLU 95 N -3.83 2.17 -0.60 1.99 -1.05 -0.85 -3.17 118.70 113.36 1v61 s GLU 95 Ca 0.06 -0.64 -0.13 0.00 -0.15 0.00 0.00 54.97 54.11 1v61 s GLU 95 Cb -0.03 -1.76 0.15 0.00 -0.44 0.00 0.00 34.13 32.05 1v61 s GLU 95 CO -0.03 0.17 0.53 0.42 0.95 0.00 0.00 175.26 177.29 1v61 s ILE 96 N 0.31 4.96 0.32 1.83 1.01 0.30 -3.89 121.20 126.03 1v61 s ILE 96 Ca -0.11 -1.94 0.04 0.00 0.00 0.00 0.00 60.65 58.64 1v61 s ILE 96 Cb -0.15 -4.17 0.04 0.00 0.01 0.00 0.00 42.46 38.20 1v61 s ILE 96 CO 0.05 -0.89 0.33 0.35 0.00 0.00 0.00 174.94 174.77 1v61 n THR 97 N 4.70 0.00 0.00 2.92 -2.24 -1.07 -1.49 114.28 117.10 1v61 n THR 97 Ca -0.04 -1.20 0.00 0.00 -2.27 0.00 0.00 64.05 60.55 1v61 n THR 97 Cb 0.42 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.22 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 1.09 -0.19 2.74 3.38 0.00 -1.26 -2.04 105.19 108.92 1v61 n GLY 98 Ca 0.03 0.01 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 1v61 n GLY 98 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1v61 n SER 99 N -2.21 1.20 -4.24 1.61 2.88 -1.26 -4.80 113.62 106.79 1v61 n SER 99 Ca 0.00 -2.36 -0.36 0.00 -1.33 0.00 0.00 58.87 54.82 1v61 n SER 99 Cb 0.00 -0.38 -0.04 0.00 -0.75 0.00 0.00 64.21 63.05 1v61 n SER 99 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1v61 n THR 100 N -0.40 -1.14 0.00 2.46 -2.24 -1.26 -4.67 114.28 107.02 1v61 n THR 100 Ca 0.06 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1v61 n THR 100 Cb 0.82 -1.61 0.00 0.00 -2.10 0.00 0.00 70.33 67.44 1v61 n THR 100 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1v61 n VAL 101 N -4.36 0.00 0.24 2.28 0.31 -1.26 -4.94 118.33 110.60 1v61 n VAL 101 Ca 0.01 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.25 1v61 n VAL 101 Cb 0.52 -0.26 -0.04 0.00 -0.91 0.00 0.00 33.84 33.15 1v61 n VAL 101 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1v61 h GLU 102 N 0.00 -0.59 -5.65 5.55 4.57 -1.91 -3.49 114.58 113.06 1v61 h GLU 102 Ca 0.00 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1v61 h GLU 102 Cb 0.00 0.13 -0.06 0.00 -0.16 0.00 0.00 28.75 28.67 1v61 h GLU 102 CO 0.00 -0.39 -0.76 -2.13 -1.18 0.00 0.00 179.01 174.55 1v61 n ARG 103 N -3.71 -2.75 -3.83 1.92 0.63 -1.25 -4.94 116.66 102.73 1v61 n ARG 103 Ca -0.08 2.22 -0.36 0.00 -0.92 0.00 0.00 57.85 58.72 1v61 n ARG 103 Cb 0.24 -2.78 -0.13 0.00 0.45 0.00 0.00 32.46 30.24 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 -0.38 3.39 -0.70 5.15 1.01 -0.56 -4.90 121.20 124.21 1v61 s ILE 104 Ca -0.12 -1.27 -0.21 0.00 0.00 0.00 0.00 60.65 59.05 1v61 s ILE 104 Cb 0.01 -2.94 0.09 0.00 0.01 0.00 0.00 42.46 39.63 1v61 s ILE 104 CO 0.37 -0.15 0.93 -0.69 0.00 0.00 0.00 174.94 175.39 1v61 s VAL 105 N 1.33 4.55 0.12 2.92 1.01 -1.26 -0.54 120.40 128.52 1v61 s VAL 105 Ca -0.03 -0.80 -0.25 0.00 0.00 0.00 0.00 61.98 60.89 1v61 s VAL 105 Cb -0.20 -4.65 -0.07 0.00 0.00 0.00 0.00 36.38 31.46 1v61 s VAL 105 CO 0.01 -1.38 0.77 -0.69 0.00 0.00 0.00 175.10 173.81 1v61 s VAL 106 N 3.37 4.52 0.34 2.92 1.01 -1.19 -3.96 120.40 127.40 1v61 s VAL 106 Ca 0.21 1.67 0.08 0.00 0.00 0.00 0.00 61.98 63.95 1v61 s VAL 106 Cb -0.16 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.06 1v61 s VAL 106 CO 0.05 0.46 0.23 -1.00 0.00 0.00 0.00 175.10 174.84 1v61 s HIS 107 N -0.71 2.83 0.00 5.22 3.76 0.17 -4.41 115.29 122.15 1v61 s HIS 107 Ca 0.37 -0.33 0.00 0.00 -0.15 0.00 0.00 55.06 54.95 1v61 s HIS 107 Cb -0.22 -1.72 0.00 0.00 1.11 0.00 0.00 32.58 31.75 1v61 s HIS 107 CO 0.25 0.25 0.00 0.00 -0.85 0.00 0.00 174.74 174.39 1v61 n ASN 109 N 0.00 1.98 -0.29 0.00 0.23 -1.26 -4.43 115.26 111.49 1v61 n ASN 109 Ca 0.00 0.03 0.07 0.00 -0.53 0.00 0.00 54.58 54.15 1v61 n ASN 109 Cb 0.00 -0.55 0.18 0.00 -2.08 0.00 0.00 39.78 37.33 1v61 n ASN 109 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 1v61 h ASN 110 N -0.34 -0.53 0.00 0.53 2.35 -2.01 -3.43 115.58 112.14 1v61 h ASN 110 Ca -0.62 0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.37 1v61 h ASN 110 Cb 1.79 0.44 0.00 0.00 0.05 0.00 0.00 38.32 40.61 1v61 h ASN 110 CO -0.21 -0.26 0.00 -3.20 -1.65 0.00 0.00 177.43 172.12 1v61 n ASN 111 N -5.45 0.00 -0.34 5.81 5.15 -1.26 -4.58 115.26 114.59 1v61 n ASN 111 Ca 0.16 0.00 0.12 0.00 -0.60 0.00 0.00 54.58 54.26 1v61 n ASN 111 Cb 0.53 0.00 0.25 0.00 -0.53 0.00 0.00 39.78 40.03 1v61 n ASN 111 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 1v61 n GLN 112 N 0.00 -0.08 0.28 1.20 7.27 -1.26 0.12 117.38 124.91 1v61 n GLN 112 Ca 0.00 1.47 -0.13 0.00 0.07 0.00 0.00 57.00 58.41 1v61 n GLN 112 Cb 0.00 -2.30 -0.07 0.00 2.41 0.00 0.00 30.24 30.28 1v61 n GLN 112 CO 0.00 0.00 0.00 -0.44 0.07 0.00 0.00 177.06 176.69 1v61 h ASP 113 N 0.00 -0.63 -0.57 1.69 5.19 -1.97 -3.23 116.42 116.89 1v61 h ASP 113 Ca 0.56 -0.03 0.10 0.00 -0.62 0.00 0.00 57.03 57.04 1v61 h ASP 113 Cb 1.09 0.16 -0.11 0.00 0.18 0.00 0.00 39.33 40.66 1v61 h ASP 113 CO -0.93 -0.24 -0.37 0.15 -3.12 0.00 0.00 179.24 174.73 1v61 h PHE 114 N -1.12 -1.03 -1.04 4.55 3.57 -1.03 0.36 116.94 121.19 1v61 h PHE 114 Ca -0.08 0.07 0.41 0.00 3.53 0.00 0.00 57.97 61.91 1v61 h PHE 114 Cb 0.62 0.54 -0.16 0.00 2.79 0.00 0.00 35.95 39.73 1v61 h PHE 114 CO 0.01 -0.40 0.60 0.94 -2.23 0.00 0.00 178.31 177.23 1v61 n GLN 115 N -5.43 -0.05 -0.00 1.11 0.00 0.33 0.15 117.38 113.49 1v61 n GLN 115 Ca 0.03 1.26 -0.13 0.00 -0.00 0.00 0.00 57.00 58.17 1v61 n GLN 115 Cb 0.35 -2.33 -0.10 0.00 0.00 0.00 0.00 30.24 28.17 1v61 n GLN 115 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.06 177.99 1v61 h GLU 116 N 0.00 -0.03 -0.90 3.69 3.07 -0.31 -2.46 114.58 117.64 1v61 h GLU 116 Ca 0.81 0.00 0.25 0.00 -0.50 0.00 0.00 59.36 59.92 1v61 h GLU 116 Cb 2.28 0.01 -0.15 0.00 -0.84 0.00 0.00 28.75 30.05 1v61 h GLU 116 CO -0.64 0.44 0.26 -1.49 -1.40 0.00 0.00 179.01 176.18 1v61 h TRP 117 N -0.51 0.39 -0.72 4.33 4.06 0.18 1.11 115.95 124.80 1v61 h TRP 117 Ca -0.00 0.05 -0.04 0.00 2.06 0.00 0.00 58.89 60.95 1v61 h TRP 117 Cb 0.48 -0.03 -0.03 0.00 -1.00 0.00 0.00 29.16 28.58 1v61 h TRP 117 CO 0.09 -0.23 0.28 0.52 -3.56 0.00 0.00 178.44 175.54 1v61 h MET 118 N 0.20 1.08 0.14 0.49 2.86 -1.10 -0.47 114.93 118.12 1v61 h MET 118 Ca 0.58 -0.20 -0.01 0.00 -2.06 0.00 0.00 59.70 58.01 1v61 h MET 118 Cb 1.20 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 32.69 1v61 h MET 118 CO -0.67 0.90 -0.08 1.49 1.06 0.00 0.00 176.91 179.60 1v61 h GLU 119 N 1.03 -0.20 -0.19 1.72 4.22 0.17 0.27 114.58 121.60 1v61 h GLU 119 Ca 0.24 0.01 0.05 0.00 0.08 0.00 0.00 59.36 59.74 1v61 h GLU 119 Cb 0.23 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.45 1v61 h GLU 119 CO -0.02 -0.13 -0.44 -0.56 -2.18 0.00 0.00 179.01 175.68 1v61 h GLN 120 N -0.20 -0.45 -0.64 1.92 3.07 -1.18 -1.00 115.11 116.62 1v61 h GLN 120 Ca -0.02 0.03 0.12 0.00 0.09 0.00 0.00 58.65 58.87 1v61 h GLN 120 Cb 0.16 0.10 -0.12 0.00 0.08 0.00 0.00 27.48 27.71 1v61 h GLN 120 CO 0.02 -0.30 -0.28 -0.07 0.09 0.00 0.00 178.83 178.28 1v61 h LEU 121 N -0.47 -1.00 -1.78 0.06 3.38 -1.09 1.60 115.31 116.02 1v61 h LEU 121 Ca 0.08 0.22 0.44 0.00 0.09 0.00 0.00 57.88 58.72 1v61 h LEU 121 Cb 0.63 0.54 -0.06 0.00 0.09 0.00 0.00 40.66 41.85 1v61 h LEU 121 CO -0.45 -0.28 1.21 -1.13 0.09 0.00 0.00 178.44 177.88 1v61 h ASN 122 N -0.11 0.00 0.00 -0.43 -0.73 0.94 0.16 115.58 115.41 1v61 h ASN 122 Ca 0.27 0.00 -0.02 0.00 1.87 0.00 0.00 56.30 58.42 1v61 h ASN 122 Cb 0.54 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.13 1v61 h ASN 122 CO -0.71 0.00 -0.85 -1.14 -0.37 0.00 0.00 177.43 174.36 1v61 n ARG 123 N -3.81 0.50 0.00 6.67 0.63 0.49 -3.15 116.66 118.00 1v61 n ARG 123 Ca 0.34 0.35 0.00 0.00 -0.92 0.00 0.00 57.85 57.61 1v61 n ARG 123 Cb 1.68 -1.55 0.00 0.00 0.45 0.00 0.00 32.46 33.04 1v61 n ARG 123 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1v61 n LEU 124 N -4.52 0.00 -0.02 6.15 4.77 0.18 -1.78 117.00 121.79 1v61 n LEU 124 Ca -0.13 0.97 -0.09 0.00 -0.03 0.00 0.00 56.01 56.73 1v61 n LEU 124 Cb 0.43 -0.47 -0.04 0.00 -2.33 0.00 0.00 43.42 41.02 1v61 n LEU 124 CO 0.16 -0.47 0.85 0.71 -1.33 0.00 0.00 177.39 177.31 1v61 h THR 125 N 0.00 0.86 -4.93 -5.08 1.35 -0.98 -3.48 112.91 100.66 1v61 h THR 125 Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 1v61 h THR 125 Cb 0.00 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 67.26 1v61 h THR 125 CO 0.00 0.00 -0.54 0.29 -0.25 0.00 0.00 175.52 175.03 1v61 n LYS 126 N -5.16 -2.30 -3.46 4.72 5.02 -0.73 -4.96 118.16 111.29 1v61 n LYS 126 Ca -0.03 2.05 -0.37 0.00 -2.02 0.00 0.00 58.31 57.93 1v61 n LYS 126 Cb 0.10 -5.02 -0.06 0.00 -0.02 0.00 0.00 35.03 30.03 1v61 n LYS 126 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1v61 s SER 127 N -2.14 6.82 0.55 4.39 0.01 -1.26 -4.95 113.70 117.12 1v61 s SER 127 Ca 0.16 0.99 0.00 0.00 1.31 0.00 0.00 55.95 58.41 1v61 s SER 127 Cb -0.05 -2.26 0.00 0.00 0.21 0.00 0.00 66.02 63.93 1v61 s SER 127 CO 0.66 0.27 0.00 0.61 0.41 0.00 0.00 173.24 175.19 1v61 n GLY 128 N 1.53 0.96 0.20 3.44 0.00 -1.26 -3.34 105.19 106.73 1v61 n GLY 128 Ca -0.11 -0.59 -0.19 0.00 0.00 0.00 0.00 46.02 45.12 1v61 n GLY 128 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1v61 h PRO 129 N 0.00 0.73 -5.99 1.61 0.13 -2.02 -3.49 132.00 122.96 1v61 h PRO 129 Ca 0.00 -0.71 -0.04 0.00 -0.87 0.00 0.00 66.00 64.38 1v61 h PRO 129 Cb 0.00 0.19 0.00 0.00 0.13 0.00 0.00 31.00 31.32 1v61 h PRO 129 CO 0.00 1.30 -1.00 0.45 -0.23 0.00 0.00 178.00 178.52 1v61 n SER 130 N -3.90 -6.94 -3.73 1.44 2.88 -1.21 -5.02 113.62 97.13 1v61 n SER 130 Ca -0.10 0.65 -0.04 0.00 -1.33 0.00 0.00 58.87 58.05 1v61 n SER 130 Cb 0.83 -2.82 -0.01 0.00 -0.75 0.00 0.00 64.21 61.45 1v61 n SER 130 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1v61 s SER 131 N -1.30 -0.20 0.00 -3.46 0.15 -1.26 -5.08 113.70 102.55 1v61 s SER 131 Ca 0.05 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.33 1v61 s SER 131 Cb -0.01 0.49 0.00 0.00 -1.71 0.00 0.00 66.02 64.79 1v61 s SER 131 CO 0.34 -0.89 0.00 0.61 1.20 0.00 0.00 173.24 174.50