#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vrr h GLU 20 N 0.00 0.37 -6.17 0.03 4.81 -2.02 -3.47 114.58 108.13 2vrr h GLU 20 Ca 0.00 -0.63 -0.69 0.00 -0.13 0.00 0.00 59.36 57.92 2vrr h GLU 20 Cb 0.00 0.23 -0.26 0.00 0.63 0.00 0.00 28.75 29.36 2vrr h GLU 20 CO 0.00 1.27 -0.80 0.71 -0.73 0.00 0.00 179.01 179.46 2vrr s TYR 21 N -2.59 2.63 0.04 0.92 1.51 -1.26 -3.55 117.35 115.05 2vrr s TYR 21 Ca -0.14 -0.35 0.08 0.00 -1.01 0.00 0.00 57.07 55.65 2vrr s TYR 21 Cb 0.06 -1.64 -0.03 0.00 -0.11 0.00 0.00 41.96 40.24 2vrr s TYR 21 CO 0.86 0.04 -0.21 0.96 -1.11 0.00 0.00 175.55 176.09 2vrr s ILE 22 N -0.47 2.58 -0.23 2.71 -4.36 -0.21 -4.92 121.20 116.29 2vrr s ILE 22 Ca 0.06 -1.22 -0.23 0.00 -0.26 0.00 0.00 60.65 59.00 2vrr s ILE 22 Cb -0.12 -2.05 -0.01 0.00 1.25 0.00 0.00 42.46 41.53 2vrr s ILE 22 CO 0.02 0.37 0.74 -0.75 0.24 0.00 0.00 174.94 175.55 2vrr s LYS 23 N -1.31 4.18 0.02 0.37 2.20 -1.26 -1.83 119.74 122.12 2vrr s LYS 23 Ca 0.13 0.78 0.03 0.00 -0.36 0.00 0.00 55.97 56.55 2vrr s LYS 23 Cb -0.10 -3.62 -0.04 0.00 -1.51 0.00 0.00 37.83 32.56 2vrr s LYS 23 CO 0.04 -0.41 -0.02 -0.51 -0.36 0.00 0.00 175.35 174.09 2vrr s LEU 24 N 2.47 3.40 -0.22 5.43 1.43 0.03 0.94 118.68 132.15 2vrr s LEU 24 Ca 0.32 -0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.34 2vrr s LEU 24 Cb -0.16 -1.99 0.05 0.00 0.03 0.00 0.00 46.19 44.12 2vrr s LEU 24 CO 0.09 0.26 -0.09 -0.75 0.23 0.00 0.00 176.35 176.09 2vrr s LYS 25 N -1.69 1.96 -0.27 1.70 2.20 -0.48 -0.95 119.74 122.21 2vrr s LYS 25 Ca 0.20 -1.00 -0.11 0.00 -0.36 0.00 0.00 55.97 54.70 2vrr s LYS 25 Cb -0.11 -2.58 -0.05 0.00 -1.51 0.00 0.00 37.83 33.57 2vrr s LYS 25 CO 0.11 -0.51 0.18 0.08 -0.36 0.00 0.00 175.35 174.85 2vrr s VAL 26 N 1.33 5.30 -0.05 4.02 1.01 0.11 -0.51 120.40 131.61 2vrr s VAL 26 Ca -0.04 0.16 0.06 0.00 0.00 0.00 0.00 61.98 62.16 2vrr s VAL 26 Cb -0.18 -3.52 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 2vrr s VAL 26 CO -0.07 0.27 -0.25 -0.63 0.00 0.00 0.00 175.10 174.42 2vrr s ILE 27 N 1.65 2.01 0.41 2.22 1.01 -0.25 -1.40 121.20 126.85 2vrr s ILE 27 Ca 0.07 -1.04 0.04 0.00 0.00 0.00 0.00 60.65 59.72 2vrr s ILE 27 Cb -0.16 -1.69 0.04 0.00 0.01 0.00 0.00 42.46 40.66 2vrr s ILE 27 CO 0.10 0.56 0.37 0.61 0.00 0.00 0.00 174.94 176.57 2vrr n GLY 28 N 2.91 2.63 0.37 6.18 0.00 -1.17 -1.33 105.19 114.77 2vrr n GLY 28 Ca -0.17 -2.25 0.05 0.00 0.00 0.00 0.00 46.02 43.64 2vrr n GLY 28 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2vrr h GLN 29 N 0.00 1.00 0.00 1.61 5.75 -1.92 -2.61 115.11 118.94 2vrr h GLN 29 Ca -0.24 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.20 2vrr h GLN 29 Cb 0.93 -0.23 0.00 0.00 1.07 0.00 0.00 27.48 29.25 2vrr h GLN 29 CO 0.37 0.66 0.00 -0.40 -2.65 0.00 0.00 178.83 176.81 2vrr n ASP 30 N -4.51 0.00 -0.00 -0.69 5.75 -1.26 -4.85 116.55 110.99 2vrr n ASP 30 Ca 0.15 -0.33 -0.00 0.00 -0.01 0.00 0.00 54.79 54.59 2vrr n ASP 30 Cb 0.23 -0.10 -0.00 0.00 -1.03 0.00 0.00 41.12 40.22 2vrr n ASP 30 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2vrr n SER 31 N -1.10 -3.51 -4.78 -1.12 7.64 -0.98 -5.03 113.62 104.74 2vrr n SER 31 Ca 0.11 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.64 2vrr n SER 31 Cb 0.08 -1.01 -0.02 0.00 -1.01 0.00 0.00 64.21 62.25 2vrr n SER 31 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2vrr s SER 32 N -2.00 6.31 0.01 6.43 1.04 -1.26 -4.91 113.70 119.31 2vrr s SER 32 Ca 0.00 2.10 0.06 0.00 0.48 0.00 0.00 55.95 58.59 2vrr s SER 32 Cb 0.00 -2.58 -0.02 0.00 0.10 0.00 0.00 66.02 63.52 2vrr s SER 32 CO 0.00 -0.81 -0.18 -1.61 0.98 0.00 0.00 173.24 171.62 2vrr s GLU 33 N -2.89 1.35 -0.02 4.02 2.02 -1.26 -3.07 118.70 118.85 2vrr s GLU 33 Ca 0.65 -0.71 0.04 0.00 0.02 0.00 0.00 54.97 54.96 2vrr s GLU 33 Cb -0.22 -1.35 -0.01 0.00 0.10 0.00 0.00 34.13 32.65 2vrr s GLU 33 CO 0.27 0.36 -0.14 0.42 0.02 0.00 0.00 175.26 176.19 2vrr s ILE 34 N -0.55 1.18 -0.12 -1.63 1.01 -0.49 -4.98 121.20 115.62 2vrr s ILE 34 Ca 0.06 -0.61 -0.00 0.00 0.00 0.00 0.00 60.65 60.10 2vrr s ILE 34 Cb -0.07 -1.00 -0.02 0.00 0.01 0.00 0.00 42.46 41.37 2vrr s ILE 34 CO 0.00 0.34 -0.10 -1.00 0.00 0.00 0.00 174.94 174.18 2vrr s HIS 35 N -0.13 2.88 -0.02 3.97 3.76 -1.26 -0.71 115.29 123.77 2vrr s HIS 35 Ca 0.01 -0.37 0.07 0.00 -0.15 0.00 0.00 55.06 54.62 2vrr s HIS 35 Cb -0.08 -1.82 -0.02 0.00 1.11 0.00 0.00 32.58 31.77 2vrr s HIS 35 CO 0.00 -0.02 -0.22 -0.06 -0.85 0.00 0.00 174.74 173.60 2vrr s PHE 36 N 0.02 1.96 -0.34 1.40 0.40 -0.13 -4.98 117.98 116.31 2vrr s PHE 36 Ca -0.02 -0.37 -0.12 0.00 -0.60 0.00 0.00 56.93 55.82 2vrr s PHE 36 Cb -0.14 -1.26 -0.00 0.00 0.51 0.00 0.00 43.02 42.12 2vrr s PHE 36 CO 0.04 -0.03 0.21 0.15 0.70 0.00 0.00 175.22 176.28 2vrr s LYS 37 N -0.52 3.27 0.05 0.44 1.02 -1.26 -0.79 119.74 121.95 2vrr s LYS 37 Ca 0.08 -0.79 0.05 0.00 0.02 0.00 0.00 55.97 55.34 2vrr s LYS 37 Cb -0.08 -3.73 -0.02 0.00 -0.52 0.00 0.00 37.83 33.47 2vrr s LYS 37 CO -0.01 -0.51 -0.13 0.14 -0.92 0.00 0.00 175.35 173.92 2vrr s VAL 38 N 1.65 1.03 0.44 3.17 -7.23 -0.76 -4.95 120.40 113.76 2vrr s VAL 38 Ca 0.05 -1.13 -0.22 0.00 -1.81 0.00 0.00 61.98 58.86 2vrr s VAL 38 Cb -0.18 -0.98 -0.08 0.00 0.56 0.00 0.00 36.38 35.70 2vrr s VAL 38 CO 0.08 -0.14 1.07 -0.54 -0.31 0.00 0.00 175.10 175.26 2vrr s LYS 39 N -1.44 3.95 0.58 4.82 1.02 -1.26 -1.05 119.74 126.36 2vrr s LYS 39 Ca -0.01 1.50 0.35 0.00 0.02 0.00 0.00 55.97 57.83 2vrr s LYS 39 Cb -0.09 -2.35 1.77 0.00 -0.52 0.00 0.00 37.83 36.64 2vrr s LYS 39 CO 0.02 -0.33 2.16 0.52 -0.92 0.00 0.00 175.35 176.79 2vrr h MET 40 N 2.06 0.00 0.00 1.68 2.86 -1.96 -2.81 114.93 116.75 2vrr h MET 40 Ca -0.49 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 56.98 2vrr h MET 40 Cb 1.22 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.86 2vrr h MET 40 CO 0.61 0.05 -1.15 1.15 1.06 0.00 0.00 176.91 178.62 2vrr h THR 41 N 0.00 0.75 -3.47 2.22 2.02 -1.92 -2.52 112.91 109.99 2vrr h THR 41 Ca -0.00 -2.26 -0.54 0.00 0.77 0.00 0.00 66.41 64.39 2vrr h THR 41 Cb 0.25 2.25 -0.03 0.00 -1.74 0.00 0.00 68.15 68.88 2vrr h THR 41 CO 0.01 0.42 0.16 -0.89 0.37 0.00 0.00 175.52 175.59 2vrr s THR 42 N -2.88 4.56 0.20 3.16 2.01 -1.06 -4.93 115.64 116.69 2vrr s THR 42 Ca -0.01 1.65 -0.33 0.00 0.31 0.00 0.00 61.69 63.32 2vrr s THR 42 Cb 0.08 -4.12 -0.13 0.00 0.01 0.00 0.00 72.50 68.34 2vrr s THR 42 CO 0.80 0.45 1.57 1.41 -0.69 0.00 0.00 174.62 178.15 2vrr n HIS 43 N 2.18 2.39 0.83 4.92 8.25 -1.26 -4.35 115.22 128.18 2vrr n HIS 43 Ca -0.04 0.26 0.09 0.00 -0.26 0.00 0.00 57.72 57.77 2vrr n HIS 43 Cb 0.49 -2.55 0.45 0.00 1.12 0.00 0.00 29.99 29.50 2vrr n HIS 43 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2vrr n LEU 44 N 3.12 0.00 -0.33 2.41 4.77 0.31 -3.05 117.00 124.23 2vrr n LEU 44 Ca 0.15 0.33 0.15 0.00 -0.03 0.00 0.00 56.01 56.61 2vrr n LEU 44 Cb 0.31 -0.33 0.35 0.00 -2.33 0.00 0.00 43.42 41.42 2vrr n LEU 44 CO 0.63 -0.13 1.13 0.50 -1.33 0.00 0.00 177.39 178.20 2vrr h LYS 45 N 0.00 0.53 -0.39 3.23 3.64 -1.60 -1.71 116.57 120.28 2vrr h LYS 45 Ca 0.00 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 2vrr h LYS 45 Cb 0.20 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 2vrr h LYS 45 CO 0.00 0.35 -0.01 0.87 -2.27 0.00 0.00 179.45 178.39 2vrr h LYS 46 N 0.55 0.62 -0.19 1.90 1.79 -1.85 0.37 116.57 119.76 2vrr h LYS 46 Ca 0.61 -0.15 -0.09 0.00 -2.18 0.00 0.00 60.65 58.84 2vrr h LYS 46 Cb 1.12 -0.08 -0.00 0.00 -1.58 0.00 0.00 32.23 31.69 2vrr h LYS 46 CO -0.48 0.65 -0.23 1.25 -1.08 0.00 0.00 179.45 179.57 2vrr h LEU 47 N 0.59 0.52 -0.10 2.94 6.46 -1.57 -1.77 115.31 122.38 2vrr h LEU 47 Ca 0.12 -0.50 0.01 0.00 -0.12 0.00 0.00 57.88 57.40 2vrr h LEU 47 Cb 0.39 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.15 2vrr h LEU 47 CO 0.01 0.92 0.01 0.11 -0.62 0.00 0.00 178.44 178.87 2vrr h LYS 48 N 0.14 0.04 -0.19 1.25 1.57 -1.21 -1.14 116.57 117.04 2vrr h LYS 48 Ca 0.03 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.82 2vrr h LYS 48 Cb 0.78 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.06 2vrr h LYS 48 CO 0.05 0.03 0.05 1.49 -0.57 0.00 0.00 179.45 180.51 2vrr h GLU 49 N 0.04 0.14 -0.81 3.15 4.81 -0.88 -1.59 114.58 119.45 2vrr h GLU 49 Ca 0.04 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.29 2vrr h GLU 49 Cb 0.05 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.35 2vrr h GLU 49 CO -0.07 0.09 0.52 0.77 -0.73 0.00 0.00 179.01 179.59 2vrr h SER 50 N 0.14 0.88 -0.04 1.04 0.02 -1.16 -0.74 113.55 113.68 2vrr h SER 50 Ca 0.08 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2vrr h SER 50 Cb 0.06 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.39 2vrr h SER 50 CO -0.09 0.62 0.02 0.22 -1.14 0.00 0.00 176.83 176.46 2vrr h TYR 51 N 1.04 0.06 -0.83 3.45 3.20 -0.80 -1.21 116.97 121.88 2vrr h TYR 51 Ca 0.31 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.30 2vrr h TYR 51 Cb -0.04 -0.02 -0.08 0.00 1.54 0.00 0.00 36.73 38.13 2vrr h TYR 51 CO -0.02 0.12 0.45 0.00 -1.64 0.00 0.00 178.16 177.07 2vrr h GLN 53 N 0.71 0.70 0.00 0.00 4.20 -0.75 0.13 115.11 120.10 2vrr h GLN 53 Ca 0.43 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 59.07 2vrr h GLN 53 Cb 0.50 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 2vrr h GLN 53 CO -0.30 0.46 -0.13 0.00 -0.67 0.00 0.00 178.83 178.19 2vrr h ARG 54 N 0.72 0.00 0.00 1.46 3.08 -0.61 -2.29 114.38 116.73 2vrr h ARG 54 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 2vrr h ARG 54 Cb -0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.97 2vrr h ARG 54 CO -0.04 0.13 -0.86 1.04 -1.07 0.00 0.00 179.97 179.17 2vrr n GLN 55 N -3.55 0.17 -2.45 0.04 1.13 -0.90 -4.99 117.38 106.83 2vrr n GLN 55 Ca -0.01 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 54.96 2vrr n GLN 55 Cb 0.27 -1.56 0.01 0.00 0.11 0.00 0.00 30.24 29.07 2vrr n GLN 55 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2vrr n GLY 56 N 1.42 0.13 3.25 1.08 0.00 0.41 -5.04 105.19 106.46 2vrr n GLY 56 Ca 0.03 -0.44 -0.21 0.00 0.00 0.00 0.00 46.02 45.40 2vrr n GLY 56 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2vrr s VAL 57 N -2.68 1.50 0.96 1.61 -7.23 -0.96 -5.05 120.40 108.54 2vrr s VAL 57 Ca 0.09 -1.57 -0.11 0.00 -1.81 0.00 0.00 61.98 58.58 2vrr s VAL 57 Cb -0.04 -1.47 0.17 0.00 0.56 0.00 0.00 36.38 35.60 2vrr s VAL 57 CO 0.11 -0.21 1.11 -2.84 -0.31 0.00 0.00 175.10 172.96 2vrr s PRO 58 N -2.15 0.70 0.23 4.82 0.02 -1.26 -4.46 135.00 132.90 2vrr s PRO 58 Ca 0.06 1.28 -0.02 0.00 0.02 0.00 0.00 61.00 62.34 2vrr s PRO 58 Cb -0.08 -1.71 0.24 0.00 0.02 0.00 0.00 34.50 32.96 2vrr s PRO 58 CO 0.04 -2.76 1.64 0.52 -0.33 0.00 0.00 177.00 176.10 2vrr h MET 59 N -1.95 0.66 0.00 5.54 2.86 -1.94 -2.99 114.93 117.11 2vrr h MET 59 Ca -0.48 -0.28 0.00 0.00 -2.06 0.00 0.00 59.70 56.88 2vrr h MET 59 Cb 1.28 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.92 2vrr h MET 59 CO 0.46 0.87 0.00 0.27 1.06 0.00 0.00 176.91 179.56 2vrr n ASN 60 N -4.09 0.00 -0.00 1.22 6.94 -1.26 -3.50 115.26 114.57 2vrr n ASN 60 Ca -0.00 -0.54 0.10 0.00 -0.02 0.00 0.00 54.58 54.11 2vrr n ASN 60 Cb 0.45 0.00 -0.13 0.00 -2.36 0.00 0.00 39.78 37.74 2vrr n ASN 60 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 2vrr n SER 61 N -0.94 0.79 -4.33 0.53 3.41 -1.13 -4.86 113.62 107.10 2vrr n SER 61 Ca 0.10 -0.78 -0.27 0.00 -0.26 0.00 0.00 58.87 57.66 2vrr n SER 61 Cb 0.05 1.21 -0.13 0.00 -0.26 0.00 0.00 64.21 65.07 2vrr n SER 61 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2vrr s LEU 62 N -3.30 2.28 0.03 1.04 1.43 -1.23 -0.15 118.68 118.78 2vrr s LEU 62 Ca 0.04 -0.69 0.07 0.00 -1.03 0.00 0.00 54.13 52.53 2vrr s LEU 62 Cb 0.15 -1.08 -0.02 0.00 0.03 0.00 0.00 46.19 45.27 2vrr s LEU 62 CO 0.86 0.14 -0.22 0.00 0.23 0.00 0.00 176.35 177.36 2vrr s ARG 63 N -1.82 1.56 -0.10 1.70 1.70 0.74 -4.77 118.95 117.96 2vrr s ARG 63 Ca 0.10 -0.91 0.03 0.00 -0.47 0.00 0.00 55.73 54.48 2vrr s ARG 63 Cb -0.10 -1.64 -0.00 0.00 -0.57 0.00 0.00 34.95 32.64 2vrr s ARG 63 CO 0.04 0.43 -0.21 -0.06 -1.08 0.00 0.00 175.30 174.42 2vrr s PHE 64 N -0.71 2.61 -0.00 5.89 0.40 -1.26 -0.52 117.98 124.39 2vrr s PHE 64 Ca 0.08 -0.92 0.07 0.00 -0.60 0.00 0.00 56.93 55.56 2vrr s PHE 64 Cb -0.09 -1.73 -0.02 0.00 0.51 0.00 0.00 43.02 41.69 2vrr s PHE 64 CO 0.01 -0.35 -0.22 -0.51 0.70 0.00 0.00 175.22 174.85 2vrr s LEU 65 N 0.29 2.08 -0.07 -0.37 1.02 0.12 -0.33 118.68 121.42 2vrr s LEU 65 Ca -0.16 -0.43 0.03 0.00 0.02 0.00 0.00 54.13 53.59 2vrr s LEU 65 Cb -0.17 -1.11 0.01 0.00 0.02 0.00 0.00 46.19 44.93 2vrr s LEU 65 CO 0.08 0.25 -0.15 0.12 0.02 0.00 0.00 176.35 176.67 2vrr s PHE 66 N -0.59 1.70 -1.43 0.29 5.36 -0.37 -1.25 117.98 121.70 2vrr s PHE 66 Ca 0.09 -0.63 -0.15 0.00 -0.96 0.00 0.00 56.93 55.27 2vrr s PHE 66 Cb -0.09 -1.20 0.14 0.00 -0.34 0.00 0.00 43.02 41.53 2vrr s PHE 66 CO -0.00 -0.29 0.55 0.39 -1.46 0.00 0.00 175.22 174.41 2vrr n GLU 67 N 3.67 -2.44 -1.00 10.12 1.02 -1.26 -0.81 120.64 129.95 2vrr n GLU 67 Ca -0.22 0.28 0.00 0.00 -0.02 0.00 0.00 57.16 57.20 2vrr n GLU 67 Cb 0.52 -4.93 0.00 0.00 -0.02 0.00 0.00 31.44 27.01 2vrr n GLU 67 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2vrr n GLY 68 N -1.11 0.81 3.50 0.62 0.00 -1.26 -5.03 105.19 102.72 2vrr n GLY 68 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 2vrr n GLY 68 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2vrr s GLN 69 N -0.01 2.54 0.27 1.61 -1.52 0.01 -5.05 119.66 117.50 2vrr s GLN 69 Ca 0.00 -0.67 -0.31 0.00 -1.95 0.00 0.00 55.36 52.43 2vrr s GLN 69 Cb 0.00 -2.41 -0.12 0.00 -0.22 0.00 0.00 33.01 30.25 2vrr s GLN 69 CO 0.00 0.63 1.53 -2.13 -0.25 0.00 0.00 175.29 175.07 2vrr n ARG 70 N 2.27 2.44 -3.08 2.91 0.63 -1.26 -1.23 116.66 119.33 2vrr n ARG 70 Ca -0.17 0.87 -0.43 0.00 -0.92 0.00 0.00 57.85 57.20 2vrr n ARG 70 Cb 0.52 -2.60 -0.06 0.00 0.45 0.00 0.00 32.46 30.76 2vrr n ARG 70 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2vrr s ILE 71 N 0.05 4.81 0.72 5.15 1.01 0.55 -4.87 121.20 128.62 2vrr s ILE 71 Ca 0.66 0.29 -0.13 0.00 0.00 0.00 0.00 60.65 61.48 2vrr s ILE 71 Cb -0.56 -4.19 0.03 0.00 0.01 0.00 0.00 42.46 37.75 2vrr s ILE 71 CO 0.48 -0.55 1.12 0.00 0.00 0.00 0.00 174.94 175.99 2vrr s ALA 72 N 2.88 2.30 0.25 9.38 0.00 -1.26 -4.78 121.76 130.53 2vrr s ALA 72 Ca 0.24 0.50 -0.03 0.00 0.00 0.00 0.00 51.96 52.67 2vrr s ALA 72 Cb -0.14 -3.33 0.44 0.00 0.00 0.00 0.00 23.12 20.09 2vrr s ALA 72 CO 0.19 -1.59 1.82 -0.44 0.00 0.00 0.00 175.76 175.73 2vrr h ASP 73 N -0.49 0.73 -0.59 0.00 5.19 -1.97 -2.65 116.42 116.64 2vrr h ASP 73 Ca -0.46 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.00 2vrr h ASP 73 Cb 1.25 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.66 2vrr h ASP 73 CO 0.52 0.41 0.00 -0.46 -3.12 0.00 0.00 179.24 176.59 2vrr n ASN 74 N -4.72 4.45 -4.79 6.45 6.94 -1.26 -1.87 115.26 120.47 2vrr n ASN 74 Ca 0.15 -2.44 -0.36 0.00 -0.02 0.00 0.00 54.58 51.91 2vrr n ASN 74 Cb 0.30 -0.56 -0.04 0.00 -2.36 0.00 0.00 39.78 37.12 2vrr n ASN 74 CO 0.00 0.00 0.00 -1.00 -1.03 0.00 0.00 177.26 175.23 2vrr s HIS 75 N -1.89 3.21 0.16 -2.53 3.76 -1.00 -4.87 115.29 112.12 2vrr s HIS 75 Ca 0.47 1.63 0.10 0.00 -0.15 0.00 0.00 55.06 57.11 2vrr s HIS 75 Cb 0.31 -3.12 -0.04 0.00 1.11 0.00 0.00 32.58 30.84 2vrr s HIS 75 CO 0.22 -0.68 -0.23 0.95 -0.85 0.00 0.00 174.74 174.15 2vrr s THR 76 N -1.72 2.13 0.50 1.30 -4.23 -1.26 -0.53 115.64 111.83 2vrr s THR 76 Ca 0.60 -1.85 0.23 0.00 -1.18 0.00 0.00 61.69 59.48 2vrr s THR 76 Cb -0.21 -1.95 0.39 0.00 1.34 0.00 0.00 72.50 72.07 2vrr s THR 76 CO 0.26 -0.08 1.98 -0.65 -0.54 0.00 0.00 174.62 175.58 2vrr h PRO 77 N 3.55 0.11 0.47 3.99 0.11 -1.74 -2.59 132.00 135.89 2vrr h PRO 77 Ca -0.47 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 2vrr h PRO 77 Cb 1.19 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2vrr h PRO 77 CO 0.44 0.07 -0.23 -0.22 -0.21 0.00 0.00 178.00 177.86 2vrr h LYS 78 N 0.11 -0.61 -0.56 1.05 3.64 -1.76 0.30 116.57 118.73 2vrr h LYS 78 Ca 0.28 0.04 0.11 0.00 -1.27 0.00 0.00 60.65 59.82 2vrr h LYS 78 Cb 0.98 0.14 -0.10 0.00 -0.41 0.00 0.00 32.23 32.84 2vrr h LYS 78 CO -0.03 -0.38 -0.03 0.93 -2.27 0.00 0.00 179.45 177.67 2vrr h GLU 79 N -0.69 0.08 -0.01 1.90 5.08 -1.74 -2.31 114.58 116.90 2vrr h GLU 79 Ca -0.06 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2vrr h GLU 79 Cb 0.51 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2vrr h GLU 79 CO 0.11 0.06 -0.06 1.28 -1.00 0.00 0.00 179.01 179.39 2vrr n LEU 80 N -5.29 0.87 -0.60 1.33 4.77 -1.04 -4.95 117.00 112.10 2vrr n LEU 80 Ca 0.07 -0.24 -0.05 0.00 -0.03 0.00 0.00 56.01 55.76 2vrr n LEU 80 Cb 0.31 -0.06 -0.00 0.00 -2.33 0.00 0.00 43.42 41.34 2vrr n LEU 80 CO 0.12 0.15 -0.07 0.61 -1.33 0.00 0.00 177.39 176.87 2vrr n GLY 81 N 1.19 0.21 3.84 -0.72 0.00 -0.44 -5.01 105.19 104.26 2vrr n GLY 81 Ca 0.18 -0.68 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 2vrr n GLY 81 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2vrr s MET 82 N -4.09 2.64 0.25 1.61 -1.94 0.92 -5.01 119.30 113.69 2vrr s MET 82 Ca 0.00 0.67 0.00 0.00 -1.71 0.00 0.00 55.69 54.65 2vrr s MET 82 Cb 0.00 -1.98 -0.03 0.00 2.01 0.00 0.00 34.83 34.83 2vrr s MET 82 CO 0.00 -1.24 0.22 -1.21 -0.01 0.00 0.00 175.02 172.79 2vrr s GLU 83 N -5.19 1.43 0.16 2.03 2.02 -1.26 -4.81 118.70 113.08 2vrr s GLU 83 Ca 0.59 -1.72 -0.33 0.00 0.02 0.00 0.00 54.97 53.53 2vrr s GLU 83 Cb -0.13 0.31 -0.16 0.00 0.10 0.00 0.00 34.13 34.25 2vrr s GLU 83 CO 0.54 -0.51 1.14 -1.91 0.02 0.00 0.00 175.26 174.53 2vrr n GLU 84 N -0.40 1.05 -1.38 1.61 4.07 -1.26 -2.33 120.64 122.00 2vrr n GLU 84 Ca 0.03 0.37 -0.14 0.00 -0.06 0.00 0.00 57.16 57.36 2vrr n GLU 84 Cb 0.64 -1.86 -0.06 0.00 -0.06 0.00 0.00 31.44 30.10 2vrr n GLU 84 CO 0.00 0.00 0.00 -0.85 -0.06 0.00 0.00 177.13 176.22 2vrr n GLU 85 N 1.74 -1.43 -1.35 5.31 0.28 0.27 -4.95 120.64 120.51 2vrr n GLU 85 Ca 0.16 0.88 -0.35 0.00 -0.16 0.00 0.00 57.16 57.68 2vrr n GLU 85 Cb 0.23 -5.15 0.09 0.00 1.43 0.00 0.00 31.44 28.05 2vrr n GLU 85 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2vrr n ASP 86 N -0.73 0.85 -4.60 -1.84 8.00 -0.98 -4.74 116.55 112.51 2vrr n ASP 86 Ca -0.14 0.67 -0.34 0.00 0.71 0.00 0.00 54.79 55.68 2vrr n ASP 86 Cb 0.51 -1.46 -0.11 0.00 -0.02 0.00 0.00 41.12 40.05 2vrr n ASP 86 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2vrr s VAL 87 N -1.83 4.22 -0.17 2.53 1.01 -1.26 -1.38 120.40 123.53 2vrr s VAL 87 Ca 0.75 -0.26 -0.02 0.00 0.00 0.00 0.00 61.98 62.45 2vrr s VAL 87 Cb -0.34 -2.83 -0.01 0.00 0.00 0.00 0.00 36.38 33.20 2vrr s VAL 87 CO 0.49 0.54 -0.08 -0.63 0.00 0.00 0.00 175.10 175.42 2vrr s ILE 88 N -0.18 3.35 -0.11 2.22 1.01 0.34 -4.68 121.20 123.15 2vrr s ILE 88 Ca 0.05 -0.53 -0.14 0.00 0.00 0.00 0.00 60.65 60.03 2vrr s ILE 88 Cb -0.13 -2.47 -0.05 0.00 0.01 0.00 0.00 42.46 39.83 2vrr s ILE 88 CO 0.02 0.48 0.32 -1.61 0.00 0.00 0.00 174.94 174.15 2vrr s GLU 89 N 0.76 4.09 -0.08 2.79 2.02 -0.38 -1.09 118.70 126.82 2vrr s GLU 89 Ca -0.03 0.18 0.01 0.00 0.02 0.00 0.00 54.97 55.15 2vrr s GLU 89 Cb -0.15 -3.35 -0.02 0.00 0.10 0.00 0.00 34.13 30.70 2vrr s GLU 89 CO 0.02 0.40 -0.11 0.54 0.02 0.00 0.00 175.26 176.12 2vrr s VAL 90 N -0.04 3.34 0.06 2.63 0.11 -0.44 0.13 120.40 126.18 2vrr s VAL 90 Ca 0.19 -0.60 0.04 0.00 -2.93 0.00 0.00 61.98 58.67 2vrr s VAL 90 Cb -0.14 -2.36 -0.03 0.00 -1.53 0.00 0.00 36.38 32.32 2vrr s VAL 90 CO 0.07 0.57 -0.10 -0.31 -3.33 0.00 0.00 175.10 171.99 2vrr s TYR 91 N -0.44 0.94 0.19 1.54 1.51 0.32 -4.37 117.35 117.04 2vrr s TYR 91 Ca 0.06 -0.52 -0.31 0.00 -1.01 0.00 0.00 57.07 55.29 2vrr s TYR 91 Cb -0.12 -0.54 -0.10 0.00 -0.11 0.00 0.00 41.96 41.09 2vrr s TYR 91 CO 0.02 -0.02 1.51 -0.65 -1.11 0.00 0.00 175.55 175.30 2vrr s GLN 92 N -1.89 4.24 0.17 -0.62 -0.21 -1.26 -0.19 119.66 119.90 2vrr s GLN 92 Ca -0.04 2.32 -0.32 0.00 0.02 0.00 0.00 55.36 57.33 2vrr s GLN 92 Cb -0.08 -3.15 -0.12 0.00 1.00 0.00 0.00 33.01 30.66 2vrr s GLN 92 CO 0.01 -0.53 1.71 0.39 -2.12 0.00 0.00 175.29 174.75 2vrr n GLU 93 N 3.41 2.59 0.00 2.91 -0.58 0.78 -4.20 120.64 125.55 2vrr n GLU 93 Ca 0.11 0.94 0.00 0.00 -0.42 0.00 0.00 57.16 57.79 2vrr n GLU 93 Cb 0.39 -2.77 0.00 0.00 -0.57 0.00 0.00 31.44 28.49 2vrr n GLU 93 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 2vrr n GLN 94 N 4.23 0.00 -3.12 3.49 7.27 -1.26 0.61 117.38 128.60 2vrr n GLN 94 Ca 0.17 0.00 -0.33 0.00 0.07 0.00 0.00 57.00 56.91 2vrr n GLN 94 Cb 0.33 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 32.92 2vrr n GLN 94 CO 0.00 0.00 0.00 0.95 0.07 0.00 0.00 177.06 178.08 2vrr s THR 95 N 0.00 4.65 0.00 1.69 -4.23 -1.26 -5.21 115.64 111.28 2vrr s THR 95 Ca 0.00 1.03 0.00 0.00 -1.18 0.00 0.00 61.69 61.54 2vrr s THR 95 Cb 0.00 -3.66 0.00 0.00 1.34 0.00 0.00 72.50 70.18 2vrr s THR 95 CO 0.00 -0.10 0.00 0.61 -0.54 0.00 0.00 174.62 174.59 2vrr n GLY 96 N -0.14 3.88 0.00 3.99 0.00 0.20 -5.13 105.19 108.00 2vrr n GLY 96 Ca 0.02 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.18 2vrr n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93