#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v61 n SER 2 N 0.00 -0.19 -3.95 1.61 7.64 -1.26 -5.17 113.62 112.30 1v61 n SER 2 Ca 0.00 0.05 -0.10 0.00 1.01 0.00 0.00 58.87 59.83 1v61 n SER 2 Cb 0.00 0.57 -0.06 0.00 -1.01 0.00 0.00 64.21 63.72 1v61 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1v61 s SER 3 N -1.58 -0.00 0.00 6.43 0.01 -1.26 -5.18 113.70 112.12 1v61 s SER 3 Ca 0.00 -1.01 0.00 0.00 1.31 0.00 0.00 55.95 56.25 1v61 s SER 3 Cb 0.00 0.58 0.00 0.00 0.21 0.00 0.00 66.02 66.81 1v61 s SER 3 CO 0.00 -1.13 0.00 0.61 0.41 0.00 0.00 173.24 173.13 1v61 n GLY 4 N -0.39 1.73 3.65 3.44 0.00 -1.26 -5.19 105.19 107.17 1v61 n GLY 4 Ca -0.01 0.07 -0.03 0.00 0.00 0.00 0.00 46.02 46.04 1v61 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1v61 s SER 5 N 0.00 -0.18 -0.03 1.61 0.01 -1.26 -5.18 113.70 108.67 1v61 s SER 5 Ca 0.00 -0.20 -0.21 0.00 1.31 0.00 0.00 55.95 56.84 1v61 s SER 5 Cb 0.00 0.35 0.04 0.00 0.21 0.00 0.00 66.02 66.62 1v61 s SER 5 CO 0.00 -0.62 0.46 -0.55 0.41 0.00 0.00 173.24 172.94 1v61 s SER 6 N -2.76 -0.38 0.14 2.44 0.15 -1.26 -4.96 113.70 107.07 1v61 s SER 6 Ca 0.11 0.33 0.00 0.00 0.70 0.00 0.00 55.95 57.09 1v61 s SER 6 Cb 0.00 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.72 1v61 s SER 6 CO -0.03 -0.52 0.00 0.61 1.20 0.00 0.00 173.24 174.51 1v61 n GLY 7 N 1.11 -5.45 1.19 9.45 0.00 -1.26 -4.96 105.19 105.28 1v61 n GLY 7 Ca -0.21 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.67 1v61 n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1v61 n GLN 8 N 1.79 -3.24 -1.77 1.61 3.00 -1.26 -5.01 117.38 112.50 1v61 n GLN 8 Ca 0.00 2.48 0.00 0.00 -0.01 0.00 0.00 57.00 59.47 1v61 n GLN 8 Cb 0.00 -2.97 0.00 0.00 0.00 0.00 0.00 30.24 27.27 1v61 n GLN 8 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 1v61 n ILE 9 N -1.79 -6.52 -0.40 5.09 2.08 -1.26 -4.86 119.36 111.69 1v61 n ILE 9 Ca 0.00 2.57 0.00 0.00 0.56 0.00 0.00 62.75 65.88 1v61 n ILE 9 Cb 0.22 -3.59 0.00 0.00 -0.75 0.00 0.00 39.64 35.53 1v61 n ILE 9 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1v61 n LEU 10 N 0.64 0.00 0.00 1.39 -0.00 -1.26 -4.65 117.00 113.12 1v61 n LEU 10 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1v61 n LEU 10 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1v61 n LEU 10 CO 0.00 -0.10 0.00 -1.20 -0.00 0.00 0.00 177.39 176.09 1v61 n SER 11 N -3.92 0.00 -4.44 1.45 7.64 -1.26 -4.82 113.62 108.26 1v61 n SER 11 Ca 0.00 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.64 1v61 n SER 11 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 1v61 n SER 11 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1v61 s GLU 12 N 0.00 1.59 0.68 1.43 2.02 -1.26 -5.14 118.70 118.02 1v61 s GLU 12 Ca 0.00 -1.69 -0.11 0.00 0.02 0.00 0.00 54.97 53.19 1v61 s GLU 12 Cb 0.00 -1.69 0.00 0.00 0.10 0.00 0.00 34.13 32.54 1v61 s GLU 12 CO 0.00 0.32 1.06 -1.25 0.02 0.00 0.00 175.26 175.41 1v61 s PRO 13 N -3.33 3.00 0.49 0.39 0.04 -1.26 -4.94 135.00 129.39 1v61 s PRO 13 Ca 0.27 0.98 -0.07 0.00 0.04 0.00 0.00 61.00 62.22 1v61 s PRO 13 Cb -0.05 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 1v61 s PRO 13 CO 0.13 -1.05 0.82 0.42 0.04 0.00 0.00 177.00 177.36 1v61 s ILE 14 N -2.97 4.86 -0.13 0.56 1.01 -1.26 -4.79 121.20 118.47 1v61 s ILE 14 Ca 0.59 0.38 -0.15 0.00 0.00 0.00 0.00 60.65 61.47 1v61 s ILE 14 Cb -0.14 -3.84 -0.05 0.00 0.01 0.00 0.00 42.46 38.44 1v61 s ILE 14 CO 0.52 -0.85 0.35 -1.58 0.00 0.00 0.00 174.94 173.38 1v61 s GLN 15 N -4.67 4.22 -0.75 2.79 0.74 0.03 -4.09 119.66 117.93 1v61 s GLN 15 Ca 0.49 0.21 -0.05 0.00 0.05 0.00 0.00 55.36 56.06 1v61 s GLN 15 Cb -0.10 -3.40 0.01 0.00 1.10 0.00 0.00 33.01 30.61 1v61 s GLN 15 CO 0.44 0.28 0.63 0.00 -0.55 0.00 0.00 175.29 176.09 1v61 n ALA 16 N 3.39 -0.70 0.10 1.58 0.00 -1.26 0.20 120.51 123.82 1v61 n ALA 16 Ca -0.11 0.22 -0.23 0.00 0.00 0.00 0.00 53.44 53.31 1v61 n ALA 16 Cb 0.52 -3.20 -0.15 0.00 0.00 0.00 0.00 19.45 16.62 1v61 n ALA 16 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 1v61 h TRP 17 N -1.44 0.80 -1.26 0.00 2.91 -1.88 -3.40 115.95 111.69 1v61 h TRP 17 Ca -0.31 -0.59 0.13 0.00 1.13 0.00 0.00 58.89 59.26 1v61 h TRP 17 Cb 1.20 -0.03 -0.06 0.00 -0.51 0.00 0.00 29.16 29.76 1v61 h TRP 17 CO 0.27 1.57 -0.39 0.39 -1.03 0.00 0.00 178.44 179.25 1v61 n GLU 18 N -3.76 -1.19 -1.65 2.65 1.02 -1.26 -4.78 120.64 111.67 1v61 n GLU 18 Ca -0.20 0.93 -0.54 0.00 -0.02 0.00 0.00 57.16 57.33 1v61 n GLU 18 Cb 1.04 -1.40 -0.06 0.00 -0.02 0.00 0.00 31.44 30.99 1v61 n GLU 18 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1v61 n GLY 19 N -3.04 0.71 0.00 0.62 0.00 -1.26 -4.87 105.19 97.36 1v61 n GLY 19 Ca -0.02 0.81 0.00 0.00 0.00 0.00 0.00 46.02 46.81 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 4.02 0.00 -4.43 1.61 -0.08 -1.26 -5.10 116.55 111.31 1v61 n ASP 20 Ca 0.22 0.00 -0.44 0.00 -1.51 0.00 0.00 54.79 53.06 1v61 n ASP 20 Cb 0.17 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.55 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 0.00 6.15 0.14 1.67 1.01 -1.26 -4.90 116.67 119.48 1v61 s ASP 21 Ca 0.00 -1.05 0.20 0.00 0.71 0.00 0.00 52.55 52.41 1v61 s ASP 21 Cb 0.00 -2.19 0.84 0.00 1.01 0.00 0.00 42.92 42.57 1v61 s ASP 21 CO 0.00 -0.60 1.62 0.00 0.21 0.00 0.00 175.17 176.40 1v61 n ILE 22 N 5.27 0.84 1.10 0.77 3.06 -1.26 -1.20 119.36 127.94 1v61 n ILE 22 Ca -0.11 0.20 0.12 0.00 -2.50 0.00 0.00 62.75 60.46 1v61 n ILE 22 Cb 0.45 -1.03 0.22 0.00 0.54 0.00 0.00 39.64 39.83 1v61 n ILE 22 CO 0.00 0.00 0.00 0.29 -2.50 0.00 0.00 176.55 174.34 1v61 n LYS 23 N -1.90 0.49 0.08 9.51 4.76 -1.26 -3.77 118.16 126.06 1v61 n LYS 23 Ca 0.03 -0.32 0.02 0.00 -2.87 0.00 0.00 58.31 55.17 1v61 n LYS 23 Cb 0.22 -1.49 -0.04 0.00 -1.84 0.00 0.00 35.03 31.88 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 0.79 0.59 0.00 -0.18 1.03 -1.56 -3.42 112.91 110.16 1v61 h THR 24 Ca 0.00 -2.00 0.00 0.00 -0.01 0.00 0.00 66.41 64.40 1v61 h THR 24 Cb 0.53 2.14 0.00 0.00 -1.07 0.00 0.00 68.15 69.75 1v61 h THR 24 CO 0.00 0.34 0.00 0.18 -0.01 0.00 0.00 175.52 176.03 1v61 n LEU 25 N -3.00 0.00 0.00 0.00 4.77 -1.22 -5.10 117.00 112.45 1v61 n LEU 25 Ca -0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 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 2.14 0.09 3.64 -0.72 0.00 -1.25 -4.97 105.19 104.13 1v61 n GLY 26 Ca 0.00 -0.88 -0.29 0.00 0.00 0.00 0.00 46.02 44.85 1v61 n GLY 26 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1v61 s ASN 27 N 0.00 2.49 -0.71 1.61 0.01 -1.26 -4.74 114.94 112.33 1v61 s ASN 27 Ca 0.00 1.44 -0.25 0.00 -0.71 0.00 0.00 52.86 53.34 1v61 s ASN 27 Cb 0.00 -2.12 0.05 0.00 0.41 0.00 0.00 41.25 39.59 1v61 s ASN 27 CO 0.00 -3.25 1.14 -0.69 -1.51 0.00 0.00 177.10 172.79 1v61 s VAL 28 N -2.80 4.01 0.00 1.60 1.01 -1.26 -4.09 120.40 118.86 1v61 s VAL 28 Ca 0.66 0.01 0.00 0.00 0.00 0.00 0.00 61.98 62.64 1v61 s VAL 28 Cb -0.20 -4.82 0.00 0.00 0.00 0.00 0.00 36.38 31.36 1v61 s VAL 28 CO 0.59 -1.68 0.59 -0.38 0.00 0.00 0.00 175.10 174.23 1v61 n ILE 29 N 6.17 0.00 -3.90 2.22 5.41 0.89 -4.76 119.36 125.40 1v61 n ILE 29 Ca 0.01 1.09 -0.22 0.00 1.00 0.00 0.00 62.75 64.64 1v61 n ILE 29 Cb 0.47 -1.97 -0.17 0.00 -0.71 0.00 0.00 39.64 37.27 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 -1.37 0.70 0.09 1.39 2.19 -1.26 -5.00 117.98 114.71 1v61 s PHE 30 Ca 0.00 -0.19 0.09 0.00 0.33 0.00 0.00 56.93 57.16 1v61 s PHE 30 Cb 0.00 -0.75 -0.03 0.00 -1.31 0.00 0.00 43.02 40.92 1v61 s PHE 30 CO 0.00 -0.28 -0.23 0.00 1.83 0.00 0.00 175.22 176.53 1v61 s MET 31 N 1.60 1.35 0.23 10.12 0.23 -1.26 -3.59 119.30 127.97 1v61 s MET 31 Ca -0.01 -1.17 -0.22 0.00 -1.03 0.00 0.00 55.69 53.27 1v61 s MET 31 Cb -0.13 -1.64 0.05 0.00 -1.53 0.00 0.00 34.83 31.58 1v61 s MET 31 CO -0.04 0.40 0.87 -1.12 -2.03 0.00 0.00 175.02 173.11 1v61 s SER 32 N -1.72 -0.16 -0.50 -1.18 0.01 -1.24 -5.05 113.70 103.86 1v61 s SER 32 Ca 0.10 -0.60 -0.19 0.00 1.31 0.00 0.00 55.95 56.57 1v61 s SER 32 Cb -0.10 0.61 0.06 0.00 0.21 0.00 0.00 66.02 66.80 1v61 s SER 32 CO 0.04 -1.16 0.60 -1.58 0.41 0.00 0.00 173.24 171.56 1v61 s GLN 33 N -3.22 3.11 0.51 12.44 0.74 -1.26 -3.45 119.66 128.52 1v61 s GLN 33 Ca 0.13 -0.93 0.05 0.00 0.05 0.00 0.00 55.36 54.67 1v61 s GLN 33 Cb -0.03 -4.10 0.01 0.00 1.10 0.00 0.00 33.01 29.99 1v61 s GLN 33 CO 0.05 -1.20 0.30 0.14 -0.55 0.00 0.00 175.29 174.04 1v61 s VAL 34 N 2.53 1.77 -0.22 1.34 -7.23 -0.52 -4.93 120.40 113.14 1v61 s VAL 34 Ca 0.14 -1.59 0.01 0.00 -1.81 0.00 0.00 61.98 58.72 1v61 s VAL 34 Cb -0.20 -2.37 0.05 0.00 0.56 0.00 0.00 36.38 34.43 1v61 s VAL 34 CO 0.11 0.00 -0.07 -0.69 -0.31 0.00 0.00 175.10 174.14 1v61 s VAL 35 N -2.73 1.56 -0.08 1.32 1.01 -1.22 0.61 120.40 120.87 1v61 s VAL 35 Ca 0.32 -1.10 0.01 0.00 0.00 0.00 0.00 61.98 61.20 1v61 s VAL 35 Cb -0.01 -1.74 0.02 0.00 0.00 0.00 0.00 36.38 34.65 1v61 s VAL 35 CO 0.19 0.03 -0.08 -0.32 0.00 0.00 0.00 175.10 174.92 1v61 s MET 36 N 1.40 1.35 0.35 2.72 -2.45 0.52 -1.30 119.30 121.89 1v61 s MET 36 Ca -0.04 -0.24 0.03 0.00 -1.25 0.00 0.00 55.69 54.20 1v61 s MET 36 Cb -0.18 -1.31 -0.05 0.00 1.25 0.00 0.00 34.83 34.55 1v61 s MET 36 CO -0.07 -0.13 0.09 1.14 1.05 0.00 0.00 175.02 177.09 1v61 s GLN 37 N 1.21 1.75 -0.08 4.11 -2.07 -1.26 -4.45 119.66 118.87 1v61 s GLN 37 Ca -0.05 -2.01 -0.01 0.00 -1.82 0.00 0.00 55.36 51.47 1v61 s GLN 37 Cb -0.14 -0.74 -0.00 0.00 -1.09 0.00 0.00 33.01 31.04 1v61 s GLN 37 CO -0.02 -0.31 -0.02 1.25 -1.32 0.00 0.00 175.29 174.87 1v61 h HIS 38 N 2.00 0.00 0.00 9.60 -0.00 -1.96 -3.39 115.15 121.40 1v61 h HIS 38 Ca -0.39 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 59.98 1v61 h HIS 38 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.67 1v61 h HIS 38 CO 0.92 0.00 0.00 0.41 -0.00 0.00 0.00 177.93 179.26 1v61 n GLY 39 N 1.81 -1.84 2.74 5.26 0.00 -1.26 -5.00 105.19 106.90 1v61 n GLY 39 Ca -0.01 0.47 -0.20 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.00 -0.09 0.00 4.61 0.00 -1.26 -5.02 121.76 118.99 1v61 s ALA 40 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.16 1v61 s ALA 40 Cb 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 23.12 21.97 1v61 s ALA 40 CO 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 175.76 174.70 1v61 n GLU 42 N -1.85 0.00 -1.76 0.00 -0.58 -1.26 -5.17 120.64 110.02 1v61 n GLU 42 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1v61 n GLU 42 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1v61 n GLU 42 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1v61 n GLU 43 N -0.99 0.30 -1.36 3.49 -0.58 -1.26 -5.12 120.64 115.12 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 0.25 -3.84 3.49 4.76 -1.26 -4.92 118.16 116.64 1v61 n LYS 44 Ca 0.00 0.10 -0.31 0.00 -2.87 0.00 0.00 58.31 55.23 1v61 n LYS 44 Cb 0.00 -1.29 -0.11 0.00 -1.84 0.00 0.00 35.03 31.78 1v61 n LYS 44 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1v61 s GLU 45 N -1.42 2.54 0.10 1.97 0.41 -1.26 -5.02 118.70 116.01 1v61 s GLU 45 Ca 0.62 -3.13 -0.31 0.00 -0.41 0.00 0.00 54.97 51.74 1v61 s GLU 45 Cb -0.53 -3.53 -0.07 0.00 -1.78 0.00 0.00 34.13 28.22 1v61 s GLU 45 CO 0.61 -1.24 1.35 -1.21 -0.49 0.00 0.00 175.26 174.27 1v61 s GLU 46 N -1.09 4.34 0.03 1.61 8.01 -1.26 0.19 118.70 130.54 1v61 s GLU 46 Ca 0.23 2.00 -0.05 0.00 0.01 0.00 0.00 54.97 57.16 1v61 s GLU 46 Cb -0.11 -3.29 -0.01 0.00 -4.31 0.00 0.00 34.13 26.41 1v61 s GLU 46 CO -0.11 -0.40 0.09 1.03 0.01 0.00 0.00 175.26 175.87 1v61 s ARG 47 N 1.16 0.55 -0.41 1.61 1.81 0.20 -4.87 118.95 119.01 1v61 s ARG 47 Ca 0.63 -0.70 -0.12 0.00 -1.72 0.00 0.00 55.73 53.83 1v61 s ARG 47 Cb -0.35 0.22 0.05 0.00 -0.45 0.00 0.00 34.95 34.42 1v61 s ARG 47 CO 0.30 -0.13 0.27 -0.47 -0.68 0.00 0.00 175.30 174.58 1v61 s TYR 48 N -2.35 3.27 -0.20 -0.53 5.04 0.21 -1.43 117.35 121.35 1v61 s TYR 48 Ca -0.07 -1.07 -0.15 0.00 -2.44 0.00 0.00 57.07 53.33 1v61 s TYR 48 Cb -0.03 -2.74 -0.04 0.00 0.35 0.00 0.00 41.96 39.50 1v61 s TYR 48 CO -0.03 -0.73 0.37 -0.06 -1.34 0.00 0.00 175.55 173.76 1v61 s PHE 49 N 1.55 3.37 -0.25 4.97 0.40 -1.22 0.13 117.98 126.93 1v61 s PHE 49 Ca 0.03 0.58 0.00 0.00 -0.60 0.00 0.00 56.93 56.94 1v61 s PHE 49 Cb -0.21 -2.50 0.04 0.00 0.51 0.00 0.00 43.02 40.86 1v61 s PHE 49 CO 0.06 0.01 -0.10 -0.51 0.70 0.00 0.00 175.22 175.38 1v61 s LEU 50 N 1.26 3.17 -0.63 -0.37 1.43 0.50 -3.69 118.68 120.34 1v61 s LEU 50 Ca 0.18 -1.07 -0.25 0.00 -1.03 0.00 0.00 54.13 51.97 1v61 s LEU 50 Cb -0.15 -1.59 0.05 0.00 0.03 0.00 0.00 46.19 44.53 1v61 s LEU 50 CO 0.07 -0.14 1.05 -0.22 0.23 0.00 0.00 176.35 177.34 1v61 s LEU 51 N 1.23 3.92 0.00 1.79 2.96 -1.24 -0.54 118.68 126.81 1v61 s LEU 51 Ca -0.03 -0.54 0.23 0.00 -0.22 0.00 0.00 54.13 53.57 1v61 s LEU 51 Cb -0.18 -2.67 1.13 0.00 0.50 0.00 0.00 46.19 44.98 1v61 s LEU 51 CO -0.06 -1.46 1.76 0.49 -1.32 0.00 0.00 176.35 175.76 1v61 n PHE 52 N 8.07 0.06 -2.69 5.38 3.01 -1.00 -0.08 117.46 130.22 1v61 n PHE 52 Ca 0.01 -0.03 -0.06 0.00 1.01 0.00 0.00 57.45 58.37 1v61 n PHE 52 Cb 0.47 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.97 1v61 n PHE 52 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1v61 n SER 53 N -0.34 -2.87 0.00 4.37 3.41 -1.26 -3.79 113.62 113.14 1v61 n SER 53 Ca 0.17 -0.16 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1v61 n SER 53 Cb 0.20 -1.80 0.00 0.00 -0.26 0.00 0.00 64.21 62.35 1v61 n SER 53 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1v61 n SER 54 N -0.35 0.00 -3.78 4.04 2.88 -1.26 -4.97 113.62 110.19 1v61 n SER 54 Ca -0.02 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.39 1v61 n SER 54 Cb 0.53 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.88 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 0.02 -0.76 2.46 0.11 -1.26 0.15 120.40 121.12 1v61 s VAL 55 Ca 0.00 -0.13 -0.19 0.00 -2.93 0.00 0.00 61.98 58.73 1v61 s VAL 55 Cb 0.00 -0.45 0.11 0.00 -1.53 0.00 0.00 36.38 34.51 1v61 s VAL 55 CO 0.00 -0.07 0.94 -0.22 -3.33 0.00 0.00 175.10 172.42 1v61 s LEU 56 N -0.20 5.10 0.06 2.54 1.98 0.52 -2.37 118.68 126.31 1v61 s LEU 56 Ca -0.03 -1.64 -0.30 0.00 -2.89 0.00 0.00 54.13 49.26 1v61 s LEU 56 Cb -0.03 -2.36 -0.05 0.00 0.66 0.00 0.00 46.19 44.41 1v61 s LEU 56 CO 0.01 -1.14 1.10 -0.63 -1.89 0.00 0.00 176.35 173.80 1v61 s ILE 57 N 2.86 4.30 -0.16 6.68 -1.09 0.30 -2.55 121.20 131.54 1v61 s ILE 57 Ca 0.23 1.70 -0.01 0.00 -2.23 0.00 0.00 60.65 60.34 1v61 s ILE 57 Cb -0.14 -4.09 -0.01 0.00 -1.58 0.00 0.00 42.46 36.64 1v61 s ILE 57 CO 0.00 0.16 -0.11 -0.04 -1.23 0.00 0.00 174.94 173.72 1v61 s MET 58 N 0.77 3.34 0.25 2.79 -1.94 -1.25 0.19 119.30 123.45 1v61 s MET 58 Ca 0.55 -0.68 0.11 0.00 -1.71 0.00 0.00 55.69 53.95 1v61 s MET 58 Cb -0.26 -2.74 -0.05 0.00 2.01 0.00 0.00 34.83 33.79 1v61 s MET 58 CO 0.30 0.04 -0.19 -0.51 -0.01 0.00 0.00 175.02 174.65 1v61 s LEU 59 N 0.80 2.56 -0.17 -0.03 1.02 0.36 -1.16 118.68 122.05 1v61 s LEU 59 Ca -0.04 -1.00 -0.13 0.00 0.02 0.00 0.00 54.13 52.98 1v61 s LEU 59 Cb -0.15 -1.00 0.05 0.00 0.02 0.00 0.00 46.19 45.11 1v61 s LEU 59 CO 0.01 -0.00 0.44 -0.94 0.02 0.00 0.00 176.35 175.87 1v61 s SER 60 N -3.32 -0.50 -0.61 2.29 1.04 -0.25 0.64 113.70 112.98 1v61 s SER 60 Ca 0.26 0.91 -0.18 0.00 0.48 0.00 0.00 55.95 57.43 1v61 s SER 60 Cb -0.04 0.86 0.12 0.00 0.10 0.00 0.00 66.02 67.05 1v61 s SER 60 CO 0.12 -0.17 0.68 0.00 0.98 0.00 0.00 173.24 174.85 1v61 s ALA 61 N 0.82 3.51 0.45 5.32 0.00 -1.26 -1.23 121.76 129.37 1v61 s ALA 61 Ca -0.05 -2.40 -0.01 0.00 0.00 0.00 0.00 51.96 49.51 1v61 s ALA 61 Cb -0.06 -3.49 -0.01 0.00 0.00 0.00 0.00 23.12 19.56 1v61 s ALA 61 CO -0.06 -2.30 0.68 -1.54 0.00 0.00 0.00 175.76 172.54 1v61 s SER 62 N 3.53 5.91 -1.13 0.00 1.04 -1.26 -4.96 113.70 116.82 1v61 s SER 62 Ca 0.11 0.39 -0.15 0.00 0.48 0.00 0.00 55.95 56.78 1v61 s SER 62 Cb -0.24 -1.67 -0.07 0.00 0.10 0.00 0.00 66.02 64.14 1v61 s SER 62 CO 0.04 -0.67 2.18 -0.81 0.98 0.00 0.00 173.24 174.96 1v61 n PRO 63 N -2.09 2.31 0.09 4.02 -0.04 -1.26 -3.96 135.00 134.07 1v61 n PRO 63 Ca 0.01 -2.09 0.00 0.00 -0.04 0.00 0.00 63.50 61.38 1v61 n PRO 63 Cb 0.57 -2.96 0.00 0.00 -0.04 0.00 0.00 33.50 31.07 1v61 n PRO 63 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1v61 n ARG 64 N 5.87 0.00 -3.61 0.54 5.12 -1.26 -5.15 116.66 118.17 1v61 n ARG 64 Ca 0.53 0.00 -0.06 0.00 -1.93 0.00 0.00 57.85 56.39 1v61 n ARG 64 Cb 0.34 -0.28 -0.05 0.00 -1.16 0.00 0.00 32.46 31.31 1v61 n ARG 64 CO 0.00 0.00 0.00 1.41 -1.93 0.00 0.00 177.63 177.11 1v61 s MET 65 N -2.00 0.30 0.42 5.56 0.00 -1.25 -5.15 119.30 117.18 1v61 s MET 65 Ca 0.00 0.07 -0.19 0.00 0.00 0.00 0.00 55.69 55.57 1v61 s MET 65 Cb 0.00 0.14 -0.15 0.00 0.00 0.00 0.00 34.83 34.82 1v61 s MET 65 CO 0.00 -0.09 0.01 0.45 0.00 0.00 0.00 175.02 175.39 1v61 n SER 66 N 0.61 -3.02 0.00 1.11 2.88 -1.26 -4.77 113.62 109.17 1v61 n SER 66 Ca -0.05 0.73 0.00 0.00 -1.33 0.00 0.00 58.87 58.22 1v61 n SER 66 Cb 0.58 -0.83 0.00 0.00 -0.75 0.00 0.00 64.21 63.21 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 2.30 0.41 3.47 0.46 0.00 -1.26 -5.08 105.19 105.49 1v61 n GLY 67 Ca 0.10 -2.31 -0.28 0.00 0.00 0.00 0.00 46.02 43.52 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 -0.70 2.47 -0.21 1.61 0.08 -1.26 -4.64 117.98 115.33 1v61 s PHE 68 Ca 0.00 -0.29 0.00 0.00 0.12 0.00 0.00 56.93 56.76 1v61 s PHE 68 Cb 0.00 -1.28 0.03 0.00 -0.57 0.00 0.00 43.02 41.20 1v61 s PHE 68 CO 0.00 0.42 -0.14 1.41 -0.10 0.00 0.00 175.22 176.81 1v61 s MET 69 N -2.35 2.83 0.21 0.44 -2.45 -0.36 -0.79 119.30 116.82 1v61 s MET 69 Ca 0.19 -0.95 -0.30 0.00 -1.25 0.00 0.00 55.69 53.38 1v61 s MET 69 Cb -0.10 -2.76 -0.09 0.00 1.25 0.00 0.00 34.83 33.13 1v61 s MET 69 CO 0.10 -0.32 1.33 -0.47 1.05 0.00 0.00 175.02 176.71 1v61 s TYR 70 N 1.27 3.21 -0.49 4.11 6.14 0.54 -1.10 117.35 131.05 1v61 s TYR 70 Ca 0.01 1.19 0.05 0.00 0.64 0.00 0.00 57.07 58.96 1v61 s TYR 70 Cb -0.15 -3.64 0.18 0.00 0.42 0.00 0.00 41.96 38.77 1v61 s TYR 70 CO -0.09 -2.01 0.41 1.04 0.64 0.00 0.00 175.55 175.55 1v61 n GLN 71 N 2.54 0.71 -0.44 4.97 1.13 -0.31 -4.70 117.38 121.29 1v61 n GLN 71 Ca 0.06 -3.55 0.05 0.00 -1.94 0.00 0.00 57.00 51.63 1v61 n GLN 71 Cb 0.42 -1.79 -0.02 0.00 0.11 0.00 0.00 30.24 28.96 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 2.41 -2.39 3.04 1.08 0.00 -1.26 -4.68 105.19 103.38 1v61 n GLY 72 Ca 0.27 -1.36 -0.12 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.72 0.22 -0.20 1.61 0.00 -1.26 -3.74 119.74 113.65 1v61 s LYS 73 Ca 0.00 0.09 -0.02 0.00 0.00 0.00 0.00 55.97 56.03 1v61 s LYS 73 Cb 0.00 0.10 -0.00 0.00 0.00 0.00 0.00 37.83 37.93 1v61 s LYS 73 CO 0.00 -0.04 -0.08 0.42 0.00 0.00 0.00 175.35 175.65 1v61 s ILE 74 N -0.19 3.09 0.03 3.79 1.01 -1.06 -4.93 121.20 122.94 1v61 s ILE 74 Ca -0.03 -0.60 -0.30 0.00 0.00 0.00 0.00 60.65 59.72 1v61 s ILE 74 Cb -0.02 -2.38 -0.05 0.00 0.01 0.00 0.00 42.46 40.02 1v61 s ILE 74 CO 0.00 0.46 1.18 -2.16 0.00 0.00 0.00 174.94 174.42 1v61 s PRO 75 N 1.27 4.43 0.54 2.79 0.04 -1.26 0.19 135.00 143.00 1v61 s PRO 75 Ca 0.03 1.72 0.34 0.00 0.04 0.00 0.00 61.00 63.12 1v61 s PRO 75 Cb -0.14 -3.40 1.84 0.00 0.04 0.00 0.00 34.50 32.84 1v61 s PRO 75 CO -0.04 -0.27 2.03 0.82 0.04 0.00 0.00 177.00 179.59 1v61 h ILE 76 N 4.63 0.00 0.16 0.56 1.08 0.11 0.04 117.51 124.09 1v61 h ILE 76 Ca -0.40 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.06 1v61 h ILE 76 Cb 1.21 0.75 0.00 0.00 -3.07 0.00 0.00 36.82 35.71 1v61 h ILE 76 CO 0.82 0.00 -0.08 0.00 -0.69 0.00 0.00 178.15 178.20 1v61 h ALA 77 N 1.86 -0.94 0.00 1.87 0.00 -1.90 -2.97 119.26 117.18 1v61 h ALA 77 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1v61 h ALA 77 Cb 0.12 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1v61 h ALA 77 CO 0.00 -0.92 0.00 0.41 0.00 0.00 0.00 179.25 178.74 1v61 n GLY 78 N -0.75 -0.91 3.73 0.00 0.00 -1.00 -4.82 105.19 101.44 1v61 n GLY 78 Ca -0.03 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.00 4.50 -0.28 1.61 0.00 -0.03 -3.79 119.30 119.32 1v61 s MET 79 Ca 0.28 1.83 0.02 0.00 0.00 0.00 0.00 55.69 57.83 1v61 s MET 79 Cb 0.13 -3.26 0.07 0.00 0.00 0.00 0.00 34.83 31.77 1v61 s MET 79 CO 0.22 -0.08 -0.03 0.08 0.00 0.00 0.00 175.02 175.21 1v61 s VAL 80 N 0.05 1.87 0.14 10.11 1.01 -1.15 -4.91 120.40 127.51 1v61 s VAL 80 Ca 0.53 -1.65 0.03 0.00 0.00 0.00 0.00 61.98 60.88 1v61 s VAL 80 Cb -0.32 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 1v61 s VAL 80 CO 0.35 -0.25 0.22 -0.69 0.00 0.00 0.00 175.10 174.74 1v61 s VAL 81 N 1.19 5.06 0.00 2.92 1.01 -1.26 -3.53 120.40 125.80 1v61 s VAL 81 Ca -0.01 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.21 1v61 s VAL 81 Cb -0.19 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.61 1v61 s VAL 81 CO -0.08 -0.05 0.00 -0.46 0.00 0.00 0.00 175.10 174.51 1v61 n ASN 82 N -0.32 0.00 -1.49 3.32 0.23 -1.26 -4.99 115.26 110.74 1v61 n ASN 82 Ca -0.07 0.00 -0.06 0.00 -0.53 0.00 0.00 54.58 53.92 1v61 n ASN 82 Cb 0.54 0.00 0.15 0.00 -2.08 0.00 0.00 39.78 38.39 1v61 n ASN 82 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 1v61 n ARG 83 N -0.23 2.30 -3.61 -3.83 0.63 -1.26 -3.72 116.66 106.94 1v61 n ARG 83 Ca 0.00 -1.66 -0.21 0.00 -0.92 0.00 0.00 57.85 55.06 1v61 n ARG 83 Cb 0.00 -1.76 0.00 0.00 0.45 0.00 0.00 32.46 31.16 1v61 n ARG 83 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1v61 n LEU 84 N -0.07 -3.01 0.00 6.15 4.77 -1.26 -4.79 117.00 118.78 1v61 n LEU 84 Ca 0.25 -0.70 0.15 0.00 -0.03 0.00 0.00 56.01 55.68 1v61 n LEU 84 Cb 0.98 -1.99 0.89 0.00 -2.33 0.00 0.00 43.42 40.97 1v61 n LEU 84 CO 0.26 0.00 1.06 -0.67 -1.33 0.00 0.00 177.39 176.72 1v61 n ASP 85 N -2.21 0.00 0.07 -1.43 -0.08 -1.26 -3.31 116.55 108.33 1v61 n ASP 85 Ca -0.23 -1.00 0.07 0.00 -1.51 0.00 0.00 54.79 52.12 1v61 n ASP 85 Cb 0.65 0.00 0.32 0.00 2.34 0.00 0.00 41.12 44.43 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 -0.98 0.07 0.00 -0.67 1.02 -1.26 -4.60 120.64 114.22 1v61 n GLU 86 Ca 0.22 0.48 0.00 0.00 -0.02 0.00 0.00 57.16 57.85 1v61 n GLU 86 Cb 0.10 -1.70 0.00 0.00 -0.02 0.00 0.00 31.44 29.82 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 -1.85 0.00 -3.12 -3.67 2.08 -1.21 -5.10 119.36 106.50 1v61 n ILE 87 Ca 0.01 0.00 -0.21 0.00 0.56 0.00 0.00 62.75 63.11 1v61 n ILE 87 Cb 0.08 0.00 -0.05 0.00 -0.75 0.00 0.00 39.64 38.92 1v61 n ILE 87 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1v61 n GLU 88 N 0.00 0.64 -2.95 0.38 1.02 -1.26 -5.04 120.64 113.43 1v61 n GLU 88 Ca 0.00 -2.88 -0.01 0.00 -0.02 0.00 0.00 57.16 54.25 1v61 n GLU 88 Cb 0.00 -1.33 -0.01 0.00 -0.02 0.00 0.00 31.44 30.08 1v61 n GLU 88 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1v61 n GLY 89 N 1.72 -1.83 0.96 0.62 0.00 -1.26 -5.00 105.19 100.39 1v61 n GLY 89 Ca 0.20 0.46 -0.01 0.00 0.00 0.00 0.00 46.02 46.67 1v61 n GLY 89 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1v61 n SER 90 N 1.70 0.82 -4.21 1.61 7.64 -1.26 -5.12 113.62 114.80 1v61 n SER 90 Ca -0.09 0.11 -0.16 0.00 1.01 0.00 0.00 58.87 59.74 1v61 n SER 90 Cb 0.28 -0.27 -0.10 0.00 -1.01 0.00 0.00 64.21 63.11 1v61 n SER 90 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1v61 s ASP 91 N -5.66 1.07 -1.13 6.43 1.01 -1.26 -5.07 116.67 112.05 1v61 s ASP 91 Ca -0.02 -1.43 -0.07 0.00 0.71 0.00 0.00 52.55 51.74 1v61 s ASP 91 Cb 0.00 0.26 0.27 0.00 1.01 0.00 0.00 42.92 44.46 1v61 s ASP 91 CO 0.02 -0.79 1.43 0.00 0.21 0.00 0.00 175.17 176.04 1v61 s MET 93 N -1.50 1.83 0.24 0.00 0.23 -1.26 -4.52 119.30 114.32 1v61 s MET 93 Ca 0.33 -2.08 -0.17 0.00 -1.03 0.00 0.00 55.69 52.74 1v61 s MET 93 Cb 0.00 0.14 0.01 0.00 -1.53 0.00 0.00 34.83 33.46 1v61 s MET 93 CO 0.03 -0.64 0.56 -0.59 -2.03 0.00 0.00 175.02 172.35 1v61 s PHE 94 N -3.35 0.04 0.01 3.16 -0.71 -1.25 -4.55 117.98 111.33 1v61 s PHE 94 Ca 0.37 -0.42 0.08 0.00 -1.04 0.00 0.00 56.93 55.92 1v61 s PHE 94 Cb 0.02 0.41 -0.03 0.00 -1.21 0.00 0.00 43.02 42.21 1v61 s PHE 94 CO 0.26 -1.04 -0.24 -1.83 -1.34 0.00 0.00 175.22 171.03 1v61 s GLU 95 N -3.94 2.01 -0.50 1.99 -1.05 -1.24 -2.67 118.70 113.30 1v61 s GLU 95 Ca 0.15 -0.99 0.03 0.00 -0.15 0.00 0.00 54.97 54.01 1v61 s GLU 95 Cb -0.02 -2.06 0.13 0.00 -0.44 0.00 0.00 34.13 31.73 1v61 s GLU 95 CO 0.04 0.54 0.25 0.42 0.95 0.00 0.00 175.26 177.46 1v61 s ILE 96 N -0.74 2.65 0.40 1.83 1.01 0.31 -4.25 121.20 122.42 1v61 s ILE 96 Ca 0.11 -3.15 0.03 0.00 0.00 0.00 0.00 60.65 57.64 1v61 s ILE 96 Cb -0.10 -2.84 0.07 0.00 0.01 0.00 0.00 42.46 39.60 1v61 s ILE 96 CO 0.01 -0.78 0.55 0.35 0.00 0.00 0.00 174.94 175.07 1v61 n THR 97 N 3.30 0.00 0.00 2.92 -2.24 -1.23 -2.66 114.28 114.37 1v61 n THR 97 Ca 0.05 -1.07 0.00 0.00 -2.27 0.00 0.00 64.05 60.76 1v61 n THR 97 Cb 0.34 -0.89 0.00 0.00 -2.10 0.00 0.00 70.33 67.68 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 0.51 0.38 0.07 3.38 0.00 -1.25 -2.95 105.19 105.34 1v61 n GLY 98 Ca 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.10 1v61 n GLY 98 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1v61 h SER 99 N 0.11 -0.14 0.00 1.61 0.87 -1.92 -3.47 113.55 110.61 1v61 h SER 99 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1v61 h SER 99 Cb 0.00 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1v61 h SER 99 CO 0.00 -0.02 0.00 1.07 -0.53 0.00 0.00 176.83 177.35 1v61 n THR 100 N -2.89 0.00 0.00 2.23 5.66 -1.26 -4.98 114.28 113.04 1v61 n THR 100 Ca -0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 1v61 n THR 100 Cb 0.06 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.84 1v61 n THR 100 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1v61 n VAL 101 N 0.00 0.00 -0.02 1.08 0.31 -1.26 -4.98 118.33 113.46 1v61 n VAL 101 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 1v61 n VAL 101 Cb 0.00 -0.02 -0.01 0.00 -0.91 0.00 0.00 33.84 32.91 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 -1.75 -0.02 -1.21 5.55 2.13 -1.26 -4.86 120.64 119.22 1v61 n GLU 102 Ca 0.00 0.16 0.00 0.00 0.66 0.00 0.00 57.16 57.98 1v61 n GLU 102 Cb 0.00 -0.24 0.00 0.00 0.27 0.00 0.00 31.44 31.47 1v61 n GLU 102 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1v61 n ARG 103 N -2.93 -3.46 -4.71 5.31 0.63 -1.26 -4.96 116.66 105.27 1v61 n ARG 103 Ca 0.00 2.59 -0.33 0.00 -0.92 0.00 0.00 57.85 59.19 1v61 n ARG 103 Cb 0.01 -2.92 -0.15 0.00 0.45 0.00 0.00 32.46 29.85 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 -3.18 2.66 -0.56 5.15 1.01 -1.09 -4.91 121.20 120.28 1v61 s ILE 104 Ca 0.00 -0.79 -0.11 0.00 0.00 0.00 0.00 60.65 59.76 1v61 s ILE 104 Cb 0.00 -2.10 0.14 0.00 0.01 0.00 0.00 42.46 40.51 1v61 s ILE 104 CO 0.00 0.53 0.46 -0.69 0.00 0.00 0.00 174.94 175.23 1v61 s VAL 105 N 0.61 4.59 -0.27 2.92 1.01 -1.26 -0.53 120.40 127.47 1v61 s VAL 105 Ca -0.09 -1.98 -0.26 0.00 0.00 0.00 0.00 61.98 59.64 1v61 s VAL 105 Cb -0.16 -3.96 0.00 0.00 0.00 0.00 0.00 36.38 32.26 1v61 s VAL 105 CO 0.03 -0.85 0.91 -0.69 0.00 0.00 0.00 175.10 174.50 1v61 s VAL 106 N 1.04 4.73 -0.23 2.92 1.01 -1.09 -4.03 120.40 124.74 1v61 s VAL 106 Ca 0.09 1.60 -0.20 0.00 0.00 0.00 0.00 61.98 63.47 1v61 s VAL 106 Cb -0.24 -4.22 -0.02 0.00 0.00 0.00 0.00 36.38 31.90 1v61 s VAL 106 CO -0.02 -0.22 0.60 -1.00 0.00 0.00 0.00 175.10 174.46 1v61 s HIS 107 N 3.10 3.31 0.46 5.22 3.76 -0.42 -3.96 115.29 126.77 1v61 s HIS 107 Ca 0.38 0.81 0.06 0.00 -0.15 0.00 0.00 55.06 56.16 1v61 s HIS 107 Cb -0.14 -2.79 -0.02 0.00 1.11 0.00 0.00 32.58 30.74 1v61 s HIS 107 CO 0.10 -0.25 0.21 0.00 -0.85 0.00 0.00 174.74 173.94 1v61 n ASN 109 N -1.37 0.00 -3.94 0.00 2.85 -1.26 -4.96 115.26 106.57 1v61 n ASN 109 Ca -0.04 0.00 -0.29 0.00 -0.11 0.00 0.00 54.58 54.13 1v61 n ASN 109 Cb 0.65 0.12 0.26 0.00 1.24 0.00 0.00 39.78 42.06 1v61 n ASN 109 CO 0.00 0.00 0.00 0.20 -2.11 0.00 0.00 177.26 175.35 1v61 s ASN 110 N -3.79 0.15 0.02 1.20 -0.87 -1.26 -5.02 114.94 105.38 1v61 s ASN 110 Ca 0.00 1.04 -0.02 0.00 -1.57 0.00 0.00 52.86 52.31 1v61 s ASN 110 Cb 0.00 -1.55 -0.01 0.00 -0.02 0.00 0.00 41.25 39.67 1v61 s ASN 110 CO 0.00 -4.64 -0.05 -3.20 -2.57 0.00 0.00 177.10 166.64 1v61 n ASN 111 N -5.17 0.78 0.15 -1.22 5.15 -1.26 -4.34 115.26 109.35 1v61 n ASN 111 Ca 0.09 0.11 -0.14 0.00 -0.60 0.00 0.00 54.58 54.03 1v61 n ASN 111 Cb 0.58 -0.26 -0.08 0.00 -0.53 0.00 0.00 39.78 39.49 1v61 n ASN 111 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 1v61 h GLN 112 N -0.13 -0.68 0.49 1.20 1.08 -1.99 0.44 115.11 115.52 1v61 h GLN 112 Ca -0.04 0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 1v61 h GLN 112 Cb 0.57 0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 28.13 1v61 h GLN 112 CO -0.03 -0.45 -0.50 -0.44 -0.95 0.00 0.00 178.83 176.46 1v61 h ASP 113 N -0.71 -1.37 -0.86 1.46 3.32 -2.01 -2.27 116.42 113.99 1v61 h ASP 113 Ca -0.02 0.11 0.12 0.00 0.02 0.00 0.00 57.03 57.26 1v61 h ASP 113 Cb 0.67 0.45 -0.14 0.00 0.22 0.00 0.00 39.33 40.54 1v61 h ASP 113 CO -0.18 -0.66 -0.43 0.15 -1.72 0.00 0.00 179.24 176.40 1v61 h PHE 114 N -0.99 -1.27 -0.37 4.55 3.57 -1.71 -0.39 116.94 120.32 1v61 h PHE 114 Ca -0.06 0.10 0.04 0.00 3.53 0.00 0.00 57.97 61.59 1v61 h PHE 114 Cb 0.87 0.68 -0.07 0.00 2.79 0.00 0.00 35.95 40.21 1v61 h PHE 114 CO -0.25 -0.40 -0.49 0.37 -2.23 0.00 0.00 178.31 175.31 1v61 h GLN 115 N -0.07 -0.32 -0.92 1.11 -0.00 0.21 -1.41 115.11 113.70 1v61 h GLN 115 Ca 0.26 0.02 0.08 0.00 -0.00 0.00 0.00 58.65 59.02 1v61 h GLN 115 Cb 0.55 0.07 -0.11 0.00 0.00 0.00 0.00 27.48 27.99 1v61 h GLN 115 CO -0.88 -0.22 -0.54 -1.91 0.00 0.00 0.00 178.83 175.28 1v61 n GLU 116 N -5.01 -0.40 -0.31 1.69 4.07 -0.20 0.14 120.64 120.62 1v61 n GLU 116 Ca -0.03 1.39 0.02 0.00 -0.06 0.00 0.00 57.16 58.48 1v61 n GLU 116 Cb 0.29 -2.04 0.09 0.00 -0.06 0.00 0.00 31.44 29.72 1v61 n GLU 116 CO 0.00 0.00 0.00 -1.49 -0.06 0.00 0.00 177.13 175.58 1v61 h TRP 117 N 0.00 -0.64 -0.79 4.31 4.06 -0.78 1.13 115.95 123.23 1v61 h TRP 117 Ca 0.15 0.08 0.02 0.00 2.06 0.00 0.00 58.89 61.21 1v61 h TRP 117 Cb 0.38 0.41 -0.04 0.00 -1.00 0.00 0.00 29.16 28.91 1v61 h TRP 117 CO -0.94 -0.38 0.51 0.52 -3.56 0.00 0.00 178.44 174.59 1v61 h MET 118 N -0.02 0.99 0.10 0.49 2.86 0.19 0.98 114.93 120.52 1v61 h MET 118 Ca 0.38 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.96 1v61 h MET 118 Cb 0.62 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.05 1v61 h MET 118 CO -0.89 0.66 -0.05 1.49 1.06 0.00 0.00 176.91 179.18 1v61 h GLU 119 N 1.02 -0.13 -0.20 1.72 4.22 0.51 0.23 114.58 121.96 1v61 h GLU 119 Ca 0.31 0.01 0.04 0.00 0.08 0.00 0.00 59.36 59.79 1v61 h GLU 119 Cb -0.05 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.16 1v61 h GLU 119 CO -0.09 -0.09 -0.52 -0.56 -2.18 0.00 0.00 179.01 175.57 1v61 h GLN 120 N -0.14 -0.50 -0.64 1.92 3.07 -0.63 -1.25 115.11 116.95 1v61 h GLN 120 Ca -0.01 0.03 0.10 0.00 0.09 0.00 0.00 58.65 58.86 1v61 h GLN 120 Cb 0.11 0.11 -0.12 0.00 0.08 0.00 0.00 27.48 27.67 1v61 h GLN 120 CO 0.02 -0.34 -0.38 -0.07 0.09 0.00 0.00 178.83 178.15 1v61 h LEU 121 N -0.52 -1.33 -1.70 0.06 3.38 -0.84 1.37 115.31 115.73 1v61 h LEU 121 Ca 0.05 0.24 0.52 0.00 0.09 0.00 0.00 57.88 58.79 1v61 h LEU 121 Cb 0.66 0.64 -0.10 0.00 0.09 0.00 0.00 40.66 41.95 1v61 h LEU 121 CO -0.47 -0.31 1.19 0.59 0.09 0.00 0.00 178.44 179.52 1v61 n ASN 122 N -5.43 0.07 -0.08 -0.43 3.02 0.81 0.15 115.26 113.38 1v61 n ASN 122 Ca 0.04 1.09 -0.06 0.00 -0.03 0.00 0.00 54.58 55.62 1v61 n ASN 122 Cb 0.36 -0.54 -0.02 0.00 -0.61 0.00 0.00 39.78 38.97 1v61 n ASN 122 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1v61 n ARG 123 N -4.12 0.47 -0.20 3.52 0.63 0.42 -3.61 116.66 113.78 1v61 n ARG 123 Ca 0.41 0.46 -0.06 0.00 -0.92 0.00 0.00 57.85 57.74 1v61 n ARG 123 Cb 1.79 -1.64 -0.01 0.00 0.45 0.00 0.00 32.46 33.06 1v61 n ARG 123 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 1v61 h LEU 124 N -1.00 -1.24 -3.34 6.15 3.38 0.19 0.65 115.31 120.09 1v61 h LEU 124 Ca -0.01 0.23 -0.29 0.00 0.09 0.00 0.00 57.88 57.90 1v61 h LEU 124 Cb 0.63 0.60 -0.13 0.00 0.09 0.00 0.00 40.66 41.85 1v61 h LEU 124 CO -0.01 -0.31 0.37 0.35 0.09 0.00 0.00 178.44 178.93 1v61 n THR 125 N -5.43 2.59 -0.07 0.22 -2.24 0.39 -4.67 114.28 105.08 1v61 n THR 125 Ca 0.03 -1.44 -0.02 0.00 -2.27 0.00 0.00 64.05 60.35 1v61 n THR 125 Cb 0.35 -1.25 -0.02 0.00 -2.10 0.00 0.00 70.33 67.32 1v61 n THR 125 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1v61 h LYS 126 N 1.27 -0.00 -5.03 -0.78 3.64 0.26 -3.44 116.57 112.49 1v61 h LYS 126 Ca 0.27 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.66 1v61 h LYS 126 Cb 1.07 0.00 -0.12 0.00 -0.41 0.00 0.00 32.23 32.78 1v61 h LYS 126 CO 0.67 -0.00 -1.48 0.45 -2.27 0.00 0.00 179.45 176.81 1v61 n SER 127 N -3.38 -1.54 -0.84 4.20 2.88 -1.26 -4.99 113.62 108.69 1v61 n SER 127 Ca 0.00 1.39 0.00 0.00 -1.33 0.00 0.00 58.87 58.94 1v61 n SER 127 Cb 0.05 -5.10 0.00 0.00 -0.75 0.00 0.00 64.21 58.40 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 1.79 4.01 3.55 0.46 0.00 -1.26 -5.09 105.19 108.65 1v61 n GLY 128 Ca -0.37 -1.56 -0.40 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.53 2.96 -0.23 1.61 0.04 -1.26 -4.97 135.00 131.62 1v61 s PRO 129 Ca 0.00 0.24 -0.05 0.00 0.04 0.00 0.00 61.00 61.22 1v61 s PRO 129 Cb 0.00 -4.26 -0.02 0.00 0.04 0.00 0.00 34.50 30.26 1v61 s PRO 129 CO 0.00 -2.37 0.01 -1.54 0.04 0.00 0.00 177.00 173.14 1v61 s SER 130 N 5.75 4.73 -0.38 6.66 1.04 -1.26 -5.06 113.70 125.18 1v61 s SER 130 Ca 0.52 -0.28 0.03 0.00 0.48 0.00 0.00 55.95 56.70 1v61 s SER 130 Cb -0.11 -1.83 0.11 0.00 0.10 0.00 0.00 66.02 64.29 1v61 s SER 130 CO 0.19 -0.01 0.11 -0.55 0.98 0.00 0.00 173.24 173.95 1v61 s SER 131 N 1.45 4.72 0.00 7.02 0.15 -1.26 -5.30 113.70 120.48 1v61 s SER 131 Ca 0.05 -2.32 0.00 0.00 0.70 0.00 0.00 55.95 54.38 1v61 s SER 131 Cb -0.15 -1.65 0.00 0.00 -1.71 0.00 0.00 66.02 62.52 1v61 s SER 131 CO 0.00 -0.36 0.14 0.61 1.20 0.00 0.00 173.24 174.83