#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 -0.12 0.59 1.61 0.15 -1.26 -5.15 113.70 109.53 1v61 s SER 2 Ca 0.00 0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.68 1v61 s SER 2 Cb 0.00 1.08 0.00 0.00 -1.71 0.00 0.00 66.02 65.39 1v61 s SER 2 CO 0.00 -0.02 0.00 -1.20 1.20 0.00 0.00 173.24 173.22 1v61 n SER 3 N 5.14 -7.77 0.00 5.45 7.64 -1.26 -5.00 113.62 117.83 1v61 n SER 3 Ca 0.06 1.56 0.00 0.00 1.01 0.00 0.00 58.87 61.50 1v61 n SER 3 Cb 0.58 -4.82 0.00 0.00 -1.01 0.00 0.00 64.21 58.96 1v61 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v61 n GLY 4 N -3.64 1.38 2.82 0.23 0.00 -1.26 -5.05 105.19 99.67 1v61 n GLY 4 Ca -0.06 -0.59 -0.01 0.00 0.00 0.00 0.00 46.02 45.36 1v61 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1v61 n SER 5 N 0.00 -7.76 -3.90 1.61 2.88 -1.26 -5.04 113.62 100.16 1v61 n SER 5 Ca 0.00 1.19 -0.15 0.00 -1.33 0.00 0.00 58.87 58.58 1v61 n SER 5 Cb 0.00 -4.63 -0.15 0.00 -0.75 0.00 0.00 64.21 58.68 1v61 n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1v61 s SER 6 N -1.57 0.39 0.00 -3.46 0.15 -1.26 -4.98 113.70 102.97 1v61 s SER 6 Ca 0.02 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.62 1v61 s SER 6 Cb -0.00 -0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.21 1v61 s SER 6 CO 0.65 0.00 0.00 0.61 1.20 0.00 0.00 173.24 175.70 1v61 n GLY 7 N 3.30 0.46 1.59 9.45 0.00 -1.26 -4.90 105.19 113.83 1v61 n GLY 7 Ca -0.16 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 44.94 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 0.00 0.00 -0.22 1.61 1.13 -1.26 -4.53 117.38 114.10 1v61 n GLN 8 Ca 0.00 0.00 0.31 0.00 -1.94 0.00 0.00 57.00 55.37 1v61 n GLN 8 Cb 0.00 -0.21 0.65 0.00 0.11 0.00 0.00 30.24 30.79 1v61 n GLN 8 CO 0.00 0.00 0.00 0.97 -1.44 0.00 0.00 177.06 176.59 1v61 h ILE 9 N 0.00 0.20 -0.95 5.09 2.10 -1.94 1.71 117.51 123.72 1v61 h ILE 9 Ca 0.00 0.00 -0.55 0.00 1.08 0.00 0.00 64.86 65.39 1v61 h ILE 9 Cb 0.14 0.28 -0.43 0.00 -1.09 0.00 0.00 36.82 35.72 1v61 h ILE 9 CO 0.00 0.00 -0.81 0.00 -1.08 0.00 0.00 178.15 176.26 1v61 n LEU 10 N -3.69 4.71 0.15 2.19 -0.00 -1.26 -4.75 117.00 114.35 1v61 n LEU 10 Ca 0.22 -4.80 0.00 0.00 -0.00 0.00 0.00 56.01 51.43 1v61 n LEU 10 Cb 1.28 -0.33 0.00 0.00 -0.00 0.00 0.00 43.42 44.36 1v61 n LEU 10 CO 0.31 2.10 0.00 -1.20 -0.00 0.00 0.00 177.39 178.61 1v61 n SER 11 N -0.63 -2.77 -4.96 1.45 7.64 0.50 -4.67 113.62 110.18 1v61 n SER 11 Ca 0.41 0.66 -0.22 0.00 1.01 0.00 0.00 58.87 60.73 1v61 n SER 11 Cb 0.88 2.73 -0.01 0.00 -1.01 0.00 0.00 64.21 66.79 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 -2.00 3.44 0.69 1.43 2.02 0.34 -5.01 118.70 119.61 1v61 s GLU 12 Ca 0.00 -0.54 -0.11 0.00 0.02 0.00 0.00 54.97 54.35 1v61 s GLU 12 Cb 0.00 -2.76 0.01 0.00 0.10 0.00 0.00 34.13 31.48 1v61 s GLU 12 CO 0.00 0.25 1.06 -1.25 0.02 0.00 0.00 175.26 175.34 1v61 s PRO 13 N -4.18 2.95 0.17 0.39 0.04 -1.26 -4.43 135.00 128.66 1v61 s PRO 13 Ca 0.38 0.95 -0.26 0.00 0.04 0.00 0.00 61.00 62.12 1v61 s PRO 13 Cb -0.09 -1.99 -0.08 0.00 0.04 0.00 0.00 34.50 32.38 1v61 s PRO 13 CO 0.33 -1.09 0.79 0.42 0.04 0.00 0.00 177.00 177.48 1v61 s ILE 14 N -3.05 4.36 0.22 0.56 1.01 -1.26 -4.67 121.20 118.37 1v61 s ILE 14 Ca 0.58 1.73 -0.30 0.00 0.00 0.00 0.00 60.65 62.66 1v61 s ILE 14 Cb -0.14 -4.15 -0.08 0.00 0.01 0.00 0.00 42.46 38.10 1v61 s ILE 14 CO 0.55 0.52 1.03 -1.58 0.00 0.00 0.00 174.94 175.45 1v61 s GLN 15 N -1.12 4.71 -1.10 2.79 0.74 0.91 -3.40 119.66 123.18 1v61 s GLN 15 Ca 0.36 1.63 -0.06 0.00 0.05 0.00 0.00 55.36 57.34 1v61 s GLN 15 Cb -0.23 -3.27 0.01 0.00 1.10 0.00 0.00 33.01 30.62 1v61 s GLN 15 CO 0.27 0.28 0.95 0.00 -0.55 0.00 0.00 175.29 176.24 1v61 n ALA 16 N 1.80 -1.24 -2.93 1.58 0.00 -1.26 0.12 120.51 118.57 1v61 n ALA 16 Ca -0.00 0.24 -0.43 0.00 0.00 0.00 0.00 53.44 53.25 1v61 n ALA 16 Cb 0.46 -4.07 -0.08 0.00 0.00 0.00 0.00 19.45 15.76 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 -3.28 3.27 0.20 0.00 -0.11 -1.22 -4.36 118.94 113.44 1v61 s TRP 17 Ca 0.37 -1.04 0.08 0.00 1.22 0.00 0.00 56.10 56.73 1v61 s TRP 17 Cb -0.16 -3.04 -0.04 0.00 -1.50 0.00 0.00 33.47 28.72 1v61 s TRP 17 CO 0.61 -0.79 -0.01 -1.83 -4.62 0.00 0.00 176.95 170.31 1v61 s GLU 18 N 1.59 2.33 0.00 5.86 -1.05 -1.26 -4.88 118.70 121.29 1v61 s GLU 18 Ca 0.04 -1.19 0.00 0.00 -0.15 0.00 0.00 54.97 53.66 1v61 s GLU 18 Cb -0.23 -2.29 0.00 0.00 -0.44 0.00 0.00 34.13 31.17 1v61 s GLU 18 CO 0.06 0.43 0.00 0.41 0.95 0.00 0.00 175.26 177.11 1v61 n GLY 19 N -0.27 1.37 0.71 -3.83 0.00 -1.26 -4.93 105.19 96.98 1v61 n GLY 19 Ca -0.09 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1v61 n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1v61 n ASP 20 N 0.00 -0.80 -3.64 1.61 8.00 -1.26 -5.15 116.55 115.31 1v61 n ASP 20 Ca 0.00 0.35 -0.15 0.00 0.71 0.00 0.00 54.79 55.70 1v61 n ASP 20 Cb 0.00 0.99 -0.07 0.00 -0.02 0.00 0.00 41.12 42.03 1v61 n ASP 20 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1v61 s ASP 21 N -1.54 -0.38 0.17 -2.24 1.01 -1.26 -5.04 116.67 107.40 1v61 s ASP 21 Ca 0.00 0.26 0.15 0.00 0.71 0.00 0.00 52.55 53.67 1v61 s ASP 21 Cb 0.00 0.43 -0.04 0.00 1.01 0.00 0.00 42.92 44.32 1v61 s ASP 21 CO 0.00 -0.59 1.15 -0.29 0.21 0.00 0.00 175.17 175.66 1v61 h ILE 22 N 3.26 0.74 0.00 0.77 2.10 -1.98 -3.18 117.51 119.22 1v61 h ILE 22 Ca -0.29 -2.17 0.00 0.00 1.08 0.00 0.00 64.86 63.47 1v61 h ILE 22 Cb 1.18 2.26 0.00 0.00 -1.09 0.00 0.00 36.82 39.17 1v61 h ILE 22 CO 0.41 0.42 0.00 0.11 -1.08 0.00 0.00 178.15 178.01 1v61 h LYS 23 N 0.00 0.00 -0.13 2.19 1.79 -1.96 -1.97 116.57 116.48 1v61 h LYS 23 Ca -0.08 0.00 -0.12 0.00 -2.18 0.00 0.00 60.65 58.27 1v61 h LYS 23 Cb 1.49 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.13 1v61 h LYS 23 CO 0.06 0.00 -0.46 1.79 -1.08 0.00 0.00 179.45 179.76 1v61 h THR 24 N 0.00 1.33 0.00 -0.16 1.35 -1.98 -3.34 112.91 110.11 1v61 h THR 24 Ca 0.00 -1.65 0.00 0.00 -0.55 0.00 0.00 66.41 64.21 1v61 h THR 24 Cb 0.29 1.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.44 1v61 h THR 24 CO 0.00 0.50 0.00 0.18 -0.25 0.00 0.00 175.52 175.95 1v61 n LEU 25 N -3.99 1.02 0.00 3.87 4.77 -0.74 -5.09 117.00 116.84 1v61 n LEU 25 Ca -0.02 0.41 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1v61 n LEU 25 Cb 0.52 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1v61 n LEU 25 CO 0.43 -0.25 0.00 0.61 -1.33 0.00 0.00 177.39 176.85 1v61 n GLY 26 N 1.30 -0.70 3.81 -0.72 0.00 -1.21 -5.06 105.19 102.60 1v61 n GLY 26 Ca 0.00 0.11 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 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 -4.00 4.27 -0.50 1.61 -0.87 -1.26 -4.66 114.94 109.53 1v61 s ASN 27 Ca 0.00 -1.57 -0.14 0.00 -1.57 0.00 0.00 52.86 49.58 1v61 s ASN 27 Cb 0.00 0.57 0.11 0.00 -0.02 0.00 0.00 41.25 41.91 1v61 s ASN 27 CO 0.00 -0.95 0.43 -0.69 -2.57 0.00 0.00 177.10 173.32 1v61 s VAL 28 N -2.86 4.94 0.00 1.60 1.01 -1.26 -4.02 120.40 119.81 1v61 s VAL 28 Ca 0.11 -1.45 0.00 0.00 0.00 0.00 0.00 61.98 60.64 1v61 s VAL 28 Cb 0.00 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.26 1v61 s VAL 28 CO 0.07 -0.76 0.60 -0.38 0.00 0.00 0.00 175.10 174.63 1v61 n ILE 29 N 5.15 0.00 -4.12 2.22 5.41 0.91 -4.71 119.36 124.22 1v61 n ILE 29 Ca -0.12 1.10 -0.33 0.00 1.00 0.00 0.00 62.75 64.40 1v61 n ILE 29 Cb 0.41 -2.09 -0.16 0.00 -0.71 0.00 0.00 39.64 37.09 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 -1.40 2.77 -0.21 1.39 2.19 -1.26 -4.99 117.98 116.47 1v61 s PHE 30 Ca 0.00 -1.65 0.02 0.00 0.33 0.00 0.00 56.93 55.63 1v61 s PHE 30 Cb 0.00 -1.91 0.04 0.00 -1.31 0.00 0.00 43.02 39.84 1v61 s PHE 30 CO 0.00 -0.81 -0.14 1.41 1.83 0.00 0.00 175.22 177.52 1v61 s MET 31 N 1.29 2.40 0.18 10.12 -2.45 -1.26 -3.46 119.30 126.13 1v61 s MET 31 Ca 0.05 -0.99 -0.07 0.00 -1.25 0.00 0.00 55.69 53.42 1v61 s MET 31 Cb -0.13 -2.61 -0.02 0.00 1.25 0.00 0.00 34.83 33.33 1v61 s MET 31 CO -0.13 -0.40 0.26 -1.12 1.05 0.00 0.00 175.02 174.68 1v61 s SER 32 N 1.27 0.07 -0.51 1.11 0.01 -1.26 -5.05 113.70 109.34 1v61 s SER 32 Ca -0.02 -1.00 -0.23 0.00 1.31 0.00 0.00 55.95 56.01 1v61 s SER 32 Cb -0.16 0.43 0.04 0.00 0.21 0.00 0.00 66.02 66.54 1v61 s SER 32 CO -0.09 -0.90 0.83 -1.58 0.41 0.00 0.00 173.24 171.91 1v61 s GLN 33 N -4.02 3.31 0.52 12.44 0.74 -1.26 -3.49 119.66 127.90 1v61 s GLN 33 Ca 0.22 -0.36 0.07 0.00 0.05 0.00 0.00 55.36 55.35 1v61 s GLN 33 Cb 0.04 -4.03 0.04 0.00 1.10 0.00 0.00 33.01 30.16 1v61 s GLN 33 CO 0.04 -1.32 0.54 0.14 -0.55 0.00 0.00 175.29 174.13 1v61 s VAL 34 N 3.47 2.10 -0.17 1.34 -7.23 -0.09 -4.90 120.40 114.91 1v61 s VAL 34 Ca 0.27 -1.27 0.00 0.00 -1.81 0.00 0.00 61.98 59.18 1v61 s VAL 34 Cb -0.14 -2.36 0.03 0.00 0.56 0.00 0.00 36.38 34.47 1v61 s VAL 34 CO 0.19 0.00 -0.12 -0.69 -0.31 0.00 0.00 175.10 174.17 1v61 s VAL 35 N -2.65 1.56 -0.04 1.32 1.01 -1.21 0.12 120.40 120.50 1v61 s VAL 35 Ca 0.48 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.66 1v61 s VAL 35 Cb -0.04 -1.56 0.03 0.00 0.00 0.00 0.00 36.38 34.81 1v61 s VAL 35 CO 0.29 0.32 0.05 -0.32 0.00 0.00 0.00 175.10 175.44 1v61 s MET 36 N 1.46 0.02 0.40 2.72 -2.45 0.38 0.76 119.30 122.58 1v61 s MET 36 Ca 0.02 0.33 0.05 0.00 -1.25 0.00 0.00 55.69 54.84 1v61 s MET 36 Cb -0.14 -0.55 -0.06 0.00 1.25 0.00 0.00 34.83 35.32 1v61 s MET 36 CO -0.09 -0.31 0.03 1.14 1.05 0.00 0.00 175.02 176.83 1v61 s GLN 37 N 2.05 1.91 0.56 4.11 -2.07 -1.26 -4.37 119.66 120.59 1v61 s GLN 37 Ca 0.04 -2.10 0.07 0.00 -1.82 0.00 0.00 55.36 51.54 1v61 s GLN 37 Cb -0.12 -1.34 0.06 0.00 -1.09 0.00 0.00 33.01 30.52 1v61 s GLN 37 CO -0.03 -0.16 0.55 -1.01 -1.32 0.00 0.00 175.29 173.31 1v61 s HIS 38 N -2.93 1.49 -0.82 9.60 3.76 -1.26 -4.42 115.29 120.70 1v61 s HIS 38 Ca 0.30 -0.82 -0.22 0.00 -0.15 0.00 0.00 55.06 54.18 1v61 s HIS 38 Cb 0.08 -2.01 -0.19 0.00 1.11 0.00 0.00 32.58 31.58 1v61 s HIS 38 CO 0.15 -0.74 2.37 0.41 -0.85 0.00 0.00 174.74 176.07 1v61 n GLY 39 N -1.95 -0.22 1.45 -2.22 0.00 -1.26 -4.40 105.19 96.59 1v61 n GLY 39 Ca 0.04 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.39 1v61 n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1v61 n ALA 40 N 14.62 -1.85 0.08 4.61 0.00 -1.26 -5.05 120.51 131.65 1v61 n ALA 40 Ca 0.52 0.43 0.00 0.00 0.00 0.00 0.00 53.44 54.39 1v61 n ALA 40 Cb 0.35 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.44 1v61 n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1v61 n GLU 42 N -3.10 0.00 -4.03 0.00 1.02 -1.26 -5.17 120.64 108.10 1v61 n GLU 42 Ca 0.00 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.96 1v61 n GLU 42 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.35 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 -0.50 0.37 -1.39 3.49 1.02 -1.26 -5.11 120.64 117.26 1v61 n GLU 43 Ca 0.00 -3.04 -0.50 0.00 -0.02 0.00 0.00 57.16 53.60 1v61 n GLU 43 Cb 0.00 2.49 -0.05 0.00 -0.02 0.00 0.00 31.44 33.87 1v61 n GLU 43 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1v61 n LYS 44 N -0.58 0.00 -3.73 3.49 4.76 -1.26 -4.89 118.16 115.95 1v61 n LYS 44 Ca 0.07 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.15 1v61 n LYS 44 Cb 0.55 -1.13 -0.10 0.00 -1.84 0.00 0.00 35.03 32.51 1v61 n LYS 44 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1v61 s GLU 45 N -0.65 2.44 0.48 1.97 2.12 -1.26 -5.01 118.70 118.78 1v61 s GLU 45 Ca 0.71 -2.38 -0.22 0.00 0.36 0.00 0.00 54.97 53.44 1v61 s GLU 45 Cb -1.01 -3.70 -0.07 0.00 0.26 0.00 0.00 34.13 29.61 1v61 s GLU 45 CO 0.55 -1.15 1.14 -1.21 -0.54 0.00 0.00 175.26 174.05 1v61 s GLU 46 N 0.20 3.68 0.31 4.30 8.01 -1.26 0.14 118.70 134.07 1v61 s GLU 46 Ca 0.15 1.69 -0.18 0.00 0.01 0.00 0.00 54.97 56.63 1v61 s GLU 46 Cb -0.21 -2.29 0.06 0.00 -4.31 0.00 0.00 34.13 27.38 1v61 s GLU 46 CO -0.03 -0.60 0.87 1.03 0.01 0.00 0.00 175.26 176.54 1v61 s ARG 47 N -2.87 1.88 -0.09 1.61 0.52 0.12 -4.81 118.95 115.30 1v61 s ARG 47 Ca 0.66 -1.19 0.04 0.00 -0.52 0.00 0.00 55.73 54.72 1v61 s ARG 47 Cb -0.26 0.54 -0.00 0.00 0.52 0.00 0.00 34.95 35.74 1v61 s ARG 47 CO 0.31 -0.88 -0.24 -0.47 0.02 0.00 0.00 175.30 174.04 1v61 s TYR 48 N -2.41 2.54 -0.23 -0.53 5.04 -0.74 -0.92 117.35 120.10 1v61 s TYR 48 Ca 0.17 -0.96 0.02 0.00 -2.44 0.00 0.00 57.07 53.85 1v61 s TYR 48 Cb -0.04 -1.69 0.04 0.00 0.35 0.00 0.00 41.96 40.62 1v61 s TYR 48 CO 0.09 -0.37 -0.13 -0.06 -1.34 0.00 0.00 175.55 173.74 1v61 s PHE 49 N 0.22 3.07 -0.36 4.97 0.40 -1.23 -0.69 117.98 124.37 1v61 s PHE 49 Ca -0.15 -1.98 -0.12 0.00 -0.60 0.00 0.00 56.93 54.08 1v61 s PHE 49 Cb -0.17 -1.95 0.01 0.00 0.51 0.00 0.00 43.02 41.42 1v61 s PHE 49 CO 0.08 -0.83 0.22 -0.51 0.70 0.00 0.00 175.22 174.88 1v61 s LEU 50 N 1.20 4.63 -0.38 -0.37 1.43 0.16 -4.10 118.68 121.26 1v61 s LEU 50 Ca -0.03 -0.74 -0.25 0.00 -1.03 0.00 0.00 54.13 52.08 1v61 s LEU 50 Cb -0.17 -2.07 0.02 0.00 0.03 0.00 0.00 46.19 43.99 1v61 s LEU 50 CO -0.08 -0.33 0.89 -0.22 0.23 0.00 0.00 176.35 176.85 1v61 s LEU 51 N 1.63 4.03 0.00 1.79 2.96 -1.22 -1.29 118.68 126.58 1v61 s LEU 51 Ca 0.04 0.46 0.21 0.00 -0.22 0.00 0.00 54.13 54.63 1v61 s LEU 51 Cb -0.18 -3.20 0.44 0.00 0.50 0.00 0.00 46.19 43.75 1v61 s LEU 51 CO 0.08 -0.86 1.39 0.49 -1.32 0.00 0.00 176.35 176.13 1v61 n PHE 52 N 6.75 0.57 -3.01 5.38 3.01 -0.87 -0.06 117.46 129.23 1v61 n PHE 52 Ca 0.06 -0.31 -0.12 0.00 1.01 0.00 0.00 57.45 58.08 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 1.40 -2.21 0.00 4.37 2.88 -1.26 -4.57 113.62 114.22 1v61 n SER 53 Ca 0.19 -0.45 0.00 0.00 -1.33 0.00 0.00 58.87 57.28 1v61 n SER 53 Cb 0.58 -3.83 0.00 0.00 -0.75 0.00 0.00 64.21 60.20 1v61 n SER 53 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1v61 n SER 54 N -2.54 0.00 -3.73 -3.46 7.64 -1.26 -5.03 113.62 105.23 1v61 n SER 54 Ca -0.20 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.55 1v61 n SER 54 Cb 0.62 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.72 1v61 n SER 54 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1v61 s VAL 55 N 0.00 0.00 -0.66 0.44 0.11 -1.26 -0.58 120.40 118.45 1v61 s VAL 55 Ca 0.00 -0.00 -0.13 0.00 -2.93 0.00 0.00 61.98 58.92 1v61 s VAL 55 Cb 0.00 -0.59 0.17 0.00 -1.53 0.00 0.00 36.38 34.43 1v61 s VAL 55 CO 0.00 -0.00 0.59 -0.22 -3.33 0.00 0.00 175.10 172.14 1v61 s LEU 56 N 0.21 6.30 -0.04 2.54 1.98 0.56 -2.05 118.68 128.19 1v61 s LEU 56 Ca -0.00 -2.28 -0.30 0.00 -2.89 0.00 0.00 54.13 48.66 1v61 s LEU 56 Cb -0.03 -2.16 -0.03 0.00 0.66 0.00 0.00 46.19 44.63 1v61 s LEU 56 CO 0.01 -0.68 1.17 -0.63 -1.89 0.00 0.00 176.35 174.33 1v61 s ILE 57 N 0.82 4.30 -0.10 6.68 -1.09 -0.41 -1.46 121.20 129.95 1v61 s ILE 57 Ca 0.11 1.63 -0.01 0.00 -2.23 0.00 0.00 60.65 60.15 1v61 s ILE 57 Cb -0.20 -4.05 -0.03 0.00 -1.58 0.00 0.00 42.46 36.60 1v61 s ILE 57 CO -0.03 0.03 -0.05 -0.04 -1.23 0.00 0.00 174.94 173.62 1v61 s MET 58 N 1.95 3.06 0.22 2.79 -1.94 -0.84 0.41 119.30 124.94 1v61 s MET 58 Ca 0.55 -0.52 0.07 0.00 -1.71 0.00 0.00 55.69 54.08 1v61 s MET 58 Cb -0.25 -2.72 -0.05 0.00 2.01 0.00 0.00 34.83 33.83 1v61 s MET 58 CO 0.23 0.55 -0.10 -0.51 -0.01 0.00 0.00 175.02 175.18 1v61 s LEU 59 N -0.48 2.49 -0.03 -0.03 1.02 0.14 -3.00 118.68 118.79 1v61 s LEU 59 Ca 0.07 -1.09 0.01 0.00 0.02 0.00 0.00 54.13 53.15 1v61 s LEU 59 Cb -0.12 -0.58 0.02 0.00 0.02 0.00 0.00 46.19 45.52 1v61 s LEU 59 CO 0.02 -0.27 -0.04 -0.94 0.02 0.00 0.00 176.35 175.14 1v61 s SER 60 N -3.33 0.74 0.21 2.29 1.04 0.83 -1.80 113.70 113.68 1v61 s SER 60 Ca 0.24 -0.10 0.10 0.00 0.48 0.00 0.00 55.95 56.67 1v61 s SER 60 Cb 0.02 -0.29 -0.05 0.00 0.10 0.00 0.00 66.02 65.80 1v61 s SER 60 CO 0.08 -0.02 -0.19 0.00 0.98 0.00 0.00 173.24 174.09 1v61 s ALA 61 N 0.61 2.29 0.00 5.32 0.00 -1.26 -2.10 121.76 126.62 1v61 s ALA 61 Ca -0.07 -1.66 0.00 0.00 0.00 0.00 0.00 51.96 50.23 1v61 s ALA 61 Cb -0.11 -0.20 0.00 0.00 0.00 0.00 0.00 23.12 22.81 1v61 s ALA 61 CO -0.00 0.24 0.00 0.45 0.00 0.00 0.00 175.76 176.44 1v61 n SER 62 N -0.12 0.00 -4.65 0.00 2.88 -1.26 -5.04 113.62 105.42 1v61 n SER 62 Ca -0.10 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.02 1v61 n SER 62 Cb 0.58 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.02 1v61 n SER 62 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1v61 s PRO 63 N 0.00 4.15 -1.16 -1.46 0.04 -1.26 -4.94 135.00 130.38 1v61 s PRO 63 Ca 0.00 1.59 -0.21 0.00 0.04 0.00 0.00 61.00 62.42 1v61 s PRO 63 Cb 0.00 -3.80 0.05 0.00 0.04 0.00 0.00 34.50 30.79 1v61 s PRO 63 CO 0.00 -0.81 1.64 0.50 0.04 0.00 0.00 177.00 178.37 1v61 s ARG 64 N 3.68 3.67 0.06 4.56 3.52 -1.26 -3.75 118.95 129.44 1v61 s ARG 64 Ca 0.56 -1.51 0.00 0.00 -0.13 0.00 0.00 55.73 54.65 1v61 s ARG 64 Cb -0.21 -5.43 0.00 0.00 -1.56 0.00 0.00 34.95 27.75 1v61 s ARG 64 CO 0.17 -2.38 0.00 -0.12 -0.81 0.00 0.00 175.30 172.16 1v61 n MET 65 N 8.62 0.00 -2.63 5.12 1.56 -1.26 -5.15 117.12 123.38 1v61 n MET 65 Ca 0.42 0.00 -0.27 0.00 -0.27 0.00 0.00 57.70 57.58 1v61 n MET 65 Cb 0.48 0.00 0.01 0.00 2.15 0.00 0.00 33.22 35.86 1v61 n MET 65 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 1v61 s SER 66 N -2.00 6.01 0.00 6.12 0.15 -1.25 -5.08 113.70 117.66 1v61 s SER 66 Ca 0.00 0.78 0.00 0.00 0.70 0.00 0.00 55.95 57.43 1v61 s SER 66 Cb 0.00 -2.00 0.00 0.00 -1.71 0.00 0.00 66.02 62.31 1v61 s SER 66 CO 0.00 -0.73 0.00 0.61 1.20 0.00 0.00 173.24 174.32 1v61 n GLY 67 N -2.32 -1.87 3.37 9.45 0.00 -1.26 -4.93 105.19 107.63 1v61 n GLY 67 Ca 0.02 -0.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 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 1.91 -0.12 1.61 0.08 -1.26 -4.90 117.98 115.30 1v61 s PHE 68 Ca 0.00 -0.47 0.01 0.00 0.12 0.00 0.00 56.93 56.59 1v61 s PHE 68 Cb 0.00 -0.90 -0.01 0.00 -0.57 0.00 0.00 43.02 41.54 1v61 s PHE 68 CO 0.00 0.43 -0.15 1.41 -0.10 0.00 0.00 175.22 176.81 1v61 s MET 69 N -3.24 3.28 -0.12 0.44 -2.45 -0.89 -0.07 119.30 116.25 1v61 s MET 69 Ca 0.21 -0.71 -0.20 0.00 -1.25 0.00 0.00 55.69 53.74 1v61 s MET 69 Cb -0.04 -2.57 -0.04 0.00 1.25 0.00 0.00 34.83 33.44 1v61 s MET 69 CO 0.09 0.24 0.55 -0.47 1.05 0.00 0.00 175.02 176.47 1v61 s TYR 70 N 0.27 3.50 -0.11 4.11 6.14 0.33 -0.12 117.35 131.47 1v61 s TYR 70 Ca -0.11 0.97 -0.13 0.00 0.64 0.00 0.00 57.07 58.45 1v61 s TYR 70 Cb -0.16 -2.65 -0.04 0.00 0.42 0.00 0.00 41.96 39.53 1v61 s TYR 70 CO 0.06 0.09 -0.24 1.04 0.64 0.00 0.00 175.55 177.13 1v61 n GLN 71 N 3.94 0.37 -3.93 4.97 1.13 -1.16 -4.67 117.38 118.02 1v61 n GLN 71 Ca -0.05 0.15 -0.08 0.00 -1.94 0.00 0.00 57.00 55.08 1v61 n GLN 71 Cb 0.51 -1.14 -0.04 0.00 0.11 0.00 0.00 30.24 29.69 1v61 n GLN 71 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 1v61 s GLY 72 N -4.52 0.25 -0.02 1.08 0.00 -1.26 -5.08 107.32 97.78 1v61 s GLY 72 Ca -0.20 -0.62 0.01 0.00 0.00 0.00 0.00 44.72 43.91 1v61 s GLY 72 CO 0.30 -0.38 -0.02 -1.59 0.00 0.00 0.00 173.10 171.41 1v61 s LYS 73 N -3.96 0.34 -0.25 2.90 -2.85 -1.26 -1.98 119.74 112.68 1v61 s LYS 73 Ca 0.17 -0.02 -0.08 0.00 -1.00 0.00 0.00 55.97 55.04 1v61 s LYS 73 Cb -0.03 -0.42 -0.03 0.00 -2.06 0.00 0.00 37.83 35.28 1v61 s LYS 73 CO 0.08 -0.04 0.09 0.42 0.10 0.00 0.00 175.35 176.00 1v61 s ILE 74 N 0.56 4.57 -0.06 3.79 1.01 -0.53 -4.84 121.20 125.70 1v61 s ILE 74 Ca -0.06 -0.09 -0.30 0.00 0.00 0.00 0.00 60.65 60.21 1v61 s ILE 74 Cb -0.09 -3.14 -0.03 0.00 0.01 0.00 0.00 42.46 39.21 1v61 s ILE 74 CO -0.01 0.33 1.22 -2.16 0.00 0.00 0.00 174.94 174.33 1v61 s PRO 75 N 1.53 4.34 0.44 2.79 0.04 -1.26 0.21 135.00 143.08 1v61 s PRO 75 Ca 0.06 1.70 0.29 0.00 0.04 0.00 0.00 61.00 63.09 1v61 s PRO 75 Cb -0.15 -3.57 1.40 0.00 0.04 0.00 0.00 34.50 32.21 1v61 s PRO 75 CO 0.05 -0.48 1.64 0.82 0.04 0.00 0.00 177.00 179.07 1v61 h ILE 76 N 5.03 0.16 -2.12 0.56 1.08 -1.18 -3.31 117.51 117.73 1v61 h ILE 76 Ca -0.34 -0.04 -0.60 0.00 -0.39 0.00 0.00 64.86 63.49 1v61 h ILE 76 Cb 1.16 0.04 0.02 0.00 -3.07 0.00 0.00 36.82 34.97 1v61 h ILE 76 CO 0.89 0.02 1.07 0.00 -0.69 0.00 0.00 178.15 179.44 1v61 n ALA 77 N -2.52 1.08 0.00 1.87 0.00 -1.26 0.53 120.51 120.21 1v61 n ALA 77 Ca 0.36 0.30 0.00 0.00 0.00 0.00 0.00 53.44 54.10 1v61 n ALA 77 Cb 1.38 -2.50 0.00 0.00 0.00 0.00 0.00 19.45 18.33 1v61 n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1v61 n GLY 78 N 4.28 2.96 3.68 0.00 0.00 -1.26 -4.96 105.19 109.88 1v61 n GLY 78 Ca 0.21 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.77 1v61 n GLY 78 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1v61 n MET 79 N -2.00 2.42 -3.58 1.61 0.00 0.19 -4.41 117.12 111.35 1v61 n MET 79 Ca 0.00 0.89 -0.41 0.00 0.00 0.00 0.00 57.70 58.18 1v61 n MET 79 Cb 0.00 -2.77 -0.10 0.00 0.00 0.00 0.00 33.22 30.35 1v61 n MET 79 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1v61 s VAL 80 N 4.06 4.47 0.10 1.12 1.01 -1.13 -4.73 120.40 125.30 1v61 s VAL 80 Ca 0.91 -1.16 0.06 0.00 0.00 0.00 0.00 61.98 61.79 1v61 s VAL 80 Cb -0.60 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.10 1v61 s VAL 80 CO 0.48 -0.41 -0.07 -0.69 0.00 0.00 0.00 175.10 174.40 1v61 s VAL 81 N 1.50 3.56 0.00 2.92 1.01 -1.26 -3.44 120.40 124.69 1v61 s VAL 81 Ca 0.03 -1.19 0.00 0.00 0.00 0.00 0.00 61.98 60.81 1v61 s VAL 81 Cb -0.22 -2.68 0.00 0.00 0.00 0.00 0.00 36.38 33.48 1v61 s VAL 81 CO 0.04 0.11 0.00 -0.46 0.00 0.00 0.00 175.10 174.79 1v61 n ASN 82 N 0.65 0.00 -1.80 3.32 0.23 -1.26 -4.99 115.26 111.41 1v61 n ASN 82 Ca -0.13 0.00 -0.15 0.00 -0.53 0.00 0.00 54.58 53.77 1v61 n ASN 82 Cb 0.52 0.00 0.05 0.00 -2.08 0.00 0.00 39.78 38.27 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 -0.42 1.73 -3.34 -3.83 1.85 -1.26 -3.03 116.66 108.37 1v61 n ARG 83 Ca 0.00 -1.51 -0.33 0.00 -1.00 0.00 0.00 57.85 55.01 1v61 n ARG 83 Cb 0.00 -1.59 0.03 0.00 -1.05 0.00 0.00 32.46 29.85 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 0.18 -2.46 -1.13 2.89 4.32 -1.26 -4.81 117.00 114.72 1v61 n LEU 84 Ca 0.29 -0.09 0.10 0.00 -0.02 0.00 0.00 56.01 56.28 1v61 n LEU 84 Cb 0.71 -1.50 0.27 0.00 -1.62 0.00 0.00 43.42 41.28 1v61 n LEU 84 CO 0.35 -0.16 0.73 -0.67 -1.22 0.00 0.00 177.39 176.42 1v61 n ASP 85 N 0.06 3.29 -0.44 -1.43 2.03 -1.26 -3.84 116.55 114.96 1v61 n ASP 85 Ca -0.07 -2.02 0.13 0.00 0.52 0.00 0.00 54.79 53.34 1v61 n ASP 85 Cb 0.63 -0.41 0.31 0.00 -0.72 0.00 0.00 41.12 40.93 1v61 n ASP 85 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1v61 n GLU 86 N 1.26 1.31 0.00 -0.67 1.02 -1.26 -4.88 120.64 117.41 1v61 n GLU 86 Ca 0.20 -0.89 0.00 0.00 -0.02 0.00 0.00 57.16 56.45 1v61 n GLU 86 Cb 0.53 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.46 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 -0.07 0.00 -2.68 -3.67 2.08 -1.25 -5.07 119.36 108.70 1v61 n ILE 87 Ca 0.14 0.00 -0.08 0.00 0.56 0.00 0.00 62.75 63.37 1v61 n ILE 87 Cb 0.40 0.00 0.03 0.00 -0.75 0.00 0.00 39.64 39.33 1v61 n ILE 87 CO 0.00 0.00 0.00 -1.84 0.56 0.00 0.00 176.55 175.27 1v61 n GLU 88 N 0.00 1.33 0.00 0.38 0.28 -1.26 -5.03 120.64 116.34 1v61 n GLU 88 Ca 0.00 -3.34 0.00 0.00 -0.16 0.00 0.00 57.16 53.66 1v61 n GLU 88 Cb 0.00 -1.34 0.00 0.00 1.43 0.00 0.00 31.44 31.53 1v61 n GLU 88 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1v61 n GLY 89 N -0.17 -1.21 3.37 -1.84 0.00 -1.26 -5.08 105.19 99.00 1v61 n GLY 89 Ca 0.10 0.46 -0.36 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 -5.24 -4.87 1.61 2.88 -1.26 -4.94 113.62 101.80 1v61 n SER 90 Ca 0.00 -0.13 -0.27 0.00 -1.33 0.00 0.00 58.87 57.14 1v61 n SER 90 Cb 0.00 -1.51 -0.04 0.00 -0.75 0.00 0.00 64.21 61.91 1v61 n SER 90 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1v61 s ASP 91 N -1.35 5.94 -1.05 -3.46 2.15 -1.26 -4.57 116.67 113.07 1v61 s ASP 91 Ca 0.35 0.05 -0.19 0.00 0.43 0.00 0.00 52.55 53.19 1v61 s ASP 91 Cb -0.04 -1.69 0.02 0.00 -0.30 0.00 0.00 42.92 40.91 1v61 s ASP 91 CO 0.79 0.09 0.69 0.00 -0.17 0.00 0.00 175.17 176.56 1v61 s MET 93 N -6.10 0.01 0.10 0.00 0.23 -1.26 -3.51 119.30 108.76 1v61 s MET 93 Ca 0.32 0.00 -0.13 0.00 -1.03 0.00 0.00 55.69 54.85 1v61 s MET 93 Cb -0.15 0.01 0.02 0.00 -1.53 0.00 0.00 34.83 33.17 1v61 s MET 93 CO 0.91 -0.00 0.31 -0.59 -2.03 0.00 0.00 175.02 173.62 1v61 s PHE 94 N -0.99 -0.06 0.17 3.16 -0.12 -1.22 -4.22 117.98 114.69 1v61 s PHE 94 Ca 0.10 -0.28 0.05 0.00 -0.05 0.00 0.00 56.93 56.75 1v61 s PHE 94 Cb -0.01 0.12 -0.04 0.00 -0.63 0.00 0.00 43.02 42.46 1v61 s PHE 94 CO -0.09 -0.62 0.18 -1.83 -0.05 0.00 0.00 175.22 172.81 1v61 s GLU 95 N -3.67 3.04 -0.40 1.99 -1.05 -1.17 -1.89 118.70 115.56 1v61 s GLU 95 Ca 0.03 -0.81 0.02 0.00 -0.15 0.00 0.00 54.97 54.05 1v61 s GLU 95 Cb 0.03 -2.72 0.12 0.00 -0.44 0.00 0.00 34.13 31.11 1v61 s GLU 95 CO -0.11 0.49 0.18 0.42 0.95 0.00 0.00 175.26 177.19 1v61 s ILE 96 N -1.77 1.47 0.28 1.83 1.01 0.33 -4.11 121.20 120.24 1v61 s ILE 96 Ca 0.32 -2.31 0.03 0.00 0.00 0.00 0.00 60.65 58.69 1v61 s ILE 96 Cb -0.10 -2.06 0.03 0.00 0.01 0.00 0.00 42.46 40.34 1v61 s ILE 96 CO 0.25 -0.80 0.22 0.35 0.00 0.00 0.00 174.94 174.96 1v61 n THR 97 N 3.92 0.00 0.00 2.92 -2.24 -1.22 -2.52 114.28 115.14 1v61 n THR 97 Ca 0.05 -1.10 0.00 0.00 -2.27 0.00 0.00 64.05 60.73 1v61 n THR 97 Cb 0.37 -0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 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 1.63 1.13 0.24 3.38 0.00 -1.26 -2.83 105.19 107.49 1v61 n GLY 98 Ca -0.01 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 -0.19 0.16 1.61 2.88 -1.26 -4.84 113.62 111.98 1v61 n SER 99 Ca 0.00 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.74 1v61 n SER 99 Cb 0.00 0.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.83 1v61 n SER 99 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1v61 n THR 100 N -2.14 0.00 -2.78 2.46 -1.04 -1.26 -5.03 114.28 104.49 1v61 n THR 100 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 1v61 n THR 100 Cb 0.00 -0.00 0.08 0.00 -1.82 0.00 0.00 70.33 68.59 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 -3.13 0.02 -4.51 12.58 0.31 -1.26 -5.13 118.33 117.21 1v61 n VAL 101 Ca 0.00 -1.96 -0.21 0.00 -0.01 0.00 0.00 64.34 62.16 1v61 n VAL 101 Cb 0.00 1.14 -0.14 0.00 -0.91 0.00 0.00 33.84 33.93 1v61 n VAL 101 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1v61 s GLU 102 N -0.22 1.03 -0.10 5.55 2.12 -1.26 -5.13 118.70 120.68 1v61 s GLU 102 Ca 0.25 -0.60 -0.02 0.00 0.36 0.00 0.00 54.97 54.96 1v61 s GLU 102 Cb 0.33 -1.01 0.03 0.00 0.26 0.00 0.00 34.13 33.74 1v61 s GLU 102 CO -0.06 0.27 0.01 0.50 -0.54 0.00 0.00 175.26 175.43 1v61 s ARG 103 N -0.65 0.66 -0.51 4.30 3.52 -1.26 -4.20 118.95 120.81 1v61 s ARG 103 Ca 0.04 -0.02 -0.18 0.00 -0.13 0.00 0.00 55.73 55.43 1v61 s ARG 103 Cb -0.06 -1.25 0.07 0.00 -1.56 0.00 0.00 34.95 32.15 1v61 s ARG 103 CO 0.00 -0.37 0.59 0.42 -0.81 0.00 0.00 175.30 175.13 1v61 s ILE 104 N 1.94 4.94 -0.77 4.11 1.01 -1.05 -4.88 121.20 126.50 1v61 s ILE 104 Ca 0.04 -0.69 -0.25 0.00 0.00 0.00 0.00 60.65 59.75 1v61 s ILE 104 Cb -0.13 -4.30 0.05 0.00 0.01 0.00 0.00 42.46 38.09 1v61 s ILE 104 CO -0.06 -0.81 1.21 -0.69 0.00 0.00 0.00 174.94 174.58 1v61 s VAL 105 N 2.44 3.98 -0.36 2.92 1.01 -1.26 -0.51 120.40 128.62 1v61 s VAL 105 Ca 0.12 -0.11 -0.23 0.00 0.00 0.00 0.00 61.98 61.77 1v61 s VAL 105 Cb -0.21 -4.87 0.01 0.00 0.00 0.00 0.00 36.38 31.31 1v61 s VAL 105 CO 0.10 -1.74 0.76 -0.69 0.00 0.00 0.00 175.10 173.53 1v61 s VAL 106 N 4.96 4.76 -0.07 2.92 1.01 -0.79 -3.99 120.40 129.19 1v61 s VAL 106 Ca 0.33 0.82 -0.28 0.00 0.00 0.00 0.00 61.98 62.84 1v61 s VAL 106 Cb -0.09 -4.19 -0.02 0.00 0.00 0.00 0.00 36.38 32.08 1v61 s VAL 106 CO 0.08 -0.42 0.93 -1.00 0.00 0.00 0.00 175.10 174.70 1v61 s HIS 107 N 3.03 3.56 0.34 5.22 3.76 0.23 -3.43 115.29 127.99 1v61 s HIS 107 Ca 0.30 1.54 0.09 0.00 -0.15 0.00 0.00 55.06 56.84 1v61 s HIS 107 Cb -0.13 -3.09 -0.05 0.00 1.11 0.00 0.00 32.58 30.42 1v61 s HIS 107 CO 0.17 -0.11 0.01 0.00 -0.85 0.00 0.00 174.74 173.96 1v61 n ASN 109 N -0.95 0.04 -4.74 0.00 6.94 -1.26 -4.84 115.26 110.45 1v61 n ASN 109 Ca -0.04 0.00 -0.31 0.00 -0.02 0.00 0.00 54.58 54.21 1v61 n ASN 109 Cb 0.62 0.00 0.11 0.00 -2.36 0.00 0.00 39.78 38.16 1v61 n ASN 109 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1v61 s ASN 110 N -4.82 3.99 -0.18 0.53 2.47 -1.26 -5.00 114.94 110.67 1v61 s ASN 110 Ca 0.00 1.78 -0.14 0.00 0.42 0.00 0.00 52.86 54.92 1v61 s ASN 110 Cb 0.00 -2.44 -0.07 0.00 -1.45 0.00 0.00 41.25 37.29 1v61 s ASN 110 CO 0.00 -2.35 -0.30 -3.20 -3.72 0.00 0.00 177.10 167.52 1v61 n ASN 111 N -3.72 1.75 0.14 -4.21 2.85 -1.26 -3.80 115.26 107.01 1v61 n ASN 111 Ca 0.09 0.30 -0.14 0.00 -0.11 0.00 0.00 54.58 54.71 1v61 n ASN 111 Cb 0.53 -0.69 -0.07 0.00 1.24 0.00 0.00 39.78 40.80 1v61 n ASN 111 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 1v61 h GLN 112 N -0.85 -0.61 0.39 1.20 4.20 -1.99 0.53 115.11 117.98 1v61 h GLN 112 Ca -0.27 0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.48 1v61 h GLN 112 Cb 1.15 0.14 -0.02 0.00 0.30 0.00 0.00 27.48 29.05 1v61 h GLN 112 CO -0.16 -0.41 -0.38 -0.44 -0.67 0.00 0.00 178.83 176.77 1v61 h ASP 113 N -0.64 -1.02 -0.53 1.46 3.32 -2.00 -1.96 116.42 115.05 1v61 h ASP 113 Ca 0.02 0.09 0.10 0.00 0.02 0.00 0.00 57.03 57.25 1v61 h ASP 113 Cb 0.64 0.34 -0.11 0.00 0.22 0.00 0.00 39.33 40.43 1v61 h ASP 113 CO -0.18 -0.53 -0.27 0.15 -1.72 0.00 0.00 179.24 176.68 1v61 h PHE 114 N -0.79 -0.72 -0.41 4.55 3.04 -1.60 -1.07 116.94 119.94 1v61 h PHE 114 Ca -0.03 0.06 0.07 0.00 3.98 0.00 0.00 57.97 62.05 1v61 h PHE 114 Cb 0.70 0.40 -0.09 0.00 2.56 0.00 0.00 35.95 39.52 1v61 h PHE 114 CO -0.20 -0.35 -0.43 0.37 -2.02 0.00 0.00 178.31 175.68 1v61 h GLN 115 N -0.14 -0.31 -0.43 1.11 -0.00 0.41 -0.84 115.11 114.90 1v61 h GLN 115 Ca 0.23 0.02 0.05 0.00 -0.00 0.00 0.00 58.65 58.96 1v61 h GLN 115 Cb 0.52 0.07 -0.08 0.00 0.00 0.00 0.00 27.48 27.98 1v61 h GLN 115 CO -0.62 -0.21 -0.55 0.93 0.00 0.00 0.00 178.83 178.38 1v61 h GLU 116 N -0.32 -0.37 -0.77 1.69 5.08 -0.45 0.78 114.58 120.21 1v61 h GLU 116 Ca 0.14 0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.64 1v61 h GLU 116 Cb 0.58 0.08 -0.13 0.00 0.50 0.00 0.00 28.75 29.78 1v61 h GLU 116 CO -0.57 -0.25 -0.38 -1.49 -1.00 0.00 0.00 179.01 175.32 1v61 h TRP 117 N -0.38 -1.09 -0.81 4.33 4.06 -0.63 0.82 115.95 122.25 1v61 h TRP 117 Ca 0.08 0.09 0.06 0.00 2.06 0.00 0.00 58.89 61.18 1v61 h TRP 117 Cb 0.59 0.59 -0.06 0.00 -1.00 0.00 0.00 29.16 29.28 1v61 h TRP 117 CO -0.73 -0.40 0.49 0.52 -3.56 0.00 0.00 178.44 174.76 1v61 h MET 118 N -0.10 0.88 0.06 0.49 2.86 0.47 0.30 114.93 119.88 1v61 h MET 118 Ca 0.27 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.85 1v61 h MET 118 Cb 0.57 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 32.03 1v61 h MET 118 CO -0.82 0.58 -0.04 1.49 1.06 0.00 0.00 176.91 179.18 1v61 h GLU 119 N 0.90 -0.09 -0.05 1.72 4.81 0.70 0.16 114.58 122.73 1v61 h GLU 119 Ca 0.35 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.62 1v61 h GLU 119 Cb 0.16 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.50 1v61 h GLU 119 CO -0.17 -0.06 -0.39 -0.56 -0.73 0.00 0.00 179.01 177.10 1v61 h GLN 120 N -0.10 -0.49 -0.80 1.92 3.07 -0.58 -1.58 115.11 116.55 1v61 h GLN 120 Ca -0.01 0.03 0.13 0.00 0.09 0.00 0.00 58.65 58.90 1v61 h GLN 120 Cb 0.08 0.11 -0.14 0.00 0.08 0.00 0.00 27.48 27.61 1v61 h GLN 120 CO 0.00 -0.33 -0.35 -0.07 0.09 0.00 0.00 178.83 178.18 1v61 h LEU 121 N -0.51 -1.25 -0.94 0.06 3.38 -0.41 1.40 115.31 117.03 1v61 h LEU 121 Ca 0.06 0.27 0.27 0.00 0.09 0.00 0.00 57.88 58.57 1v61 h LEU 121 Cb 0.62 0.65 -0.14 0.00 0.09 0.00 0.00 40.66 41.88 1v61 h LEU 121 CO -0.33 -0.30 0.41 -1.13 0.09 0.00 0.00 178.44 177.18 1v61 h ASN 122 N -0.07 0.29 0.30 -0.43 -0.73 0.33 0.30 115.58 115.57 1v61 h ASN 122 Ca 0.30 0.19 -0.01 0.00 1.87 0.00 0.00 56.30 58.64 1v61 h ASN 122 Cb 0.58 0.18 0.00 0.00 0.27 0.00 0.00 38.32 39.36 1v61 h ASN 122 CO -0.84 -0.11 -0.15 -0.09 -0.37 0.00 0.00 177.43 175.87 1v61 h ARG 123 N 0.30 -0.39 0.00 6.67 2.43 0.20 -2.21 114.38 121.38 1v61 h ARG 123 Ca 0.63 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.83 1v61 h ARG 123 Cb 1.34 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.97 1v61 h ARG 123 CO -0.61 -0.20 0.00 1.28 -1.51 0.00 0.00 179.97 178.93 1v61 n LEU 124 N -5.05 0.00 -0.01 3.80 4.77 0.18 -2.84 117.00 117.86 1v61 n LEU 124 Ca -0.06 0.61 -0.00 0.00 -0.03 0.00 0.00 56.01 56.53 1v61 n LEU 124 Cb 0.19 -0.11 -0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1v61 n LEU 124 CO 0.15 -0.11 0.50 0.71 -1.33 0.00 0.00 177.39 177.32 1v61 h THR 125 N 0.00 0.00 -0.14 -5.08 1.35 -0.64 -3.39 112.91 105.01 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 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.42 1v61 h THR 125 CO 0.00 0.00 0.00 1.17 -0.25 0.00 0.00 175.52 176.44 1v61 n LYS 126 N -2.92 1.75 -1.67 4.72 4.81 -0.83 -4.80 118.16 119.22 1v61 n LYS 126 Ca -0.00 0.00 -0.51 0.00 -0.87 0.00 0.00 58.31 56.93 1v61 n LYS 126 Cb 0.01 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.00 1v61 n LYS 126 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1v61 n SER 127 N 0.00 2.75 0.00 3.14 3.41 -1.23 -4.79 113.62 116.90 1v61 n SER 127 Ca 0.00 1.05 0.00 0.00 -0.26 0.00 0.00 58.87 59.66 1v61 n SER 127 Cb 0.00 -1.29 0.00 0.00 -0.26 0.00 0.00 64.21 62.66 1v61 n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1v61 n GLY 128 N 3.76 2.62 3.75 5.00 0.00 -1.13 -4.39 105.19 114.80 1v61 n GLY 128 Ca 0.22 -1.69 -0.41 0.00 0.00 0.00 0.00 46.02 44.14 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 4.99 4.63 0.16 1.61 0.04 -1.26 -4.71 135.00 140.46 1v61 s PRO 129 Ca 0.00 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.80 1v61 s PRO 129 Cb 0.00 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.31 1v61 s PRO 129 CO 0.00 0.16 0.00 0.43 0.04 0.00 0.00 177.00 177.63 1v61 n SER 130 N 1.73 -5.98 -4.09 6.66 7.64 -1.26 -4.93 113.62 113.38 1v61 n SER 130 Ca 0.01 0.75 -0.36 0.00 1.01 0.00 0.00 58.87 60.28 1v61 n SER 130 Cb 0.45 -2.78 -0.11 0.00 -1.01 0.00 0.00 64.21 60.77 1v61 n SER 130 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1v61 s SER 131 N -0.93 5.18 0.00 6.43 1.04 -1.26 -5.11 113.70 119.04 1v61 s SER 131 Ca 0.00 -2.53 0.00 0.00 0.48 0.00 0.00 55.95 53.90 1v61 s SER 131 Cb 0.00 -1.83 0.00 0.00 0.10 0.00 0.00 66.02 64.29 1v61 s SER 131 CO 0.00 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 174.40