#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rv1 s THR 26 N 0.00 4.82 0.48 6.31 2.01 -1.26 -5.04 115.64 122.95 1rv1 s THR 26 Ca 0.00 -0.75 -0.21 0.00 0.31 0.00 0.00 61.69 61.04 1rv1 s THR 26 Cb 0.00 -4.42 -0.08 0.00 0.01 0.00 0.00 72.50 68.01 1rv1 s THR 26 CO 0.00 -1.01 1.06 -0.76 -0.69 0.00 0.00 174.62 173.22 1rv1 s LEU 27 N 2.73 3.89 0.14 4.42 1.43 -1.26 -4.46 118.68 125.57 1rv1 s LEU 27 Ca 0.14 2.00 0.06 0.00 -1.03 0.00 0.00 54.13 55.29 1rv1 s LEU 27 Cb -0.22 -4.49 -0.04 0.00 0.03 0.00 0.00 46.19 41.47 1rv1 s LEU 27 CO 0.09 -0.80 -0.13 -0.69 0.23 0.00 0.00 176.35 175.05 1rv1 s VAL 28 N -1.88 1.31 -0.33 -1.59 1.01 0.93 -4.88 120.40 114.96 1rv1 s VAL 28 Ca 0.66 -1.88 -0.00 0.00 0.00 0.00 0.00 61.98 60.76 1rv1 s VAL 28 Cb -0.19 -1.68 0.08 0.00 0.00 0.00 0.00 36.38 34.59 1rv1 s VAL 28 CO 0.23 -0.55 0.05 -0.60 0.00 0.00 0.00 175.10 174.23 1rv1 s ARG 29 N -3.13 2.11 0.06 2.72 3.52 -1.26 -2.12 118.95 120.85 1rv1 s ARG 29 Ca 0.13 -1.54 -0.31 0.00 -0.13 0.00 0.00 55.73 53.88 1rv1 s ARG 29 Cb -0.02 -3.27 -0.06 0.00 -1.56 0.00 0.00 34.95 30.05 1rv1 s ARG 29 CO 0.03 -0.80 1.23 -2.14 -0.81 0.00 0.00 175.30 172.81 1rv1 s PRO 30 N 1.14 4.41 1.02 5.12 0.02 -1.25 0.27 135.00 145.74 1rv1 s PRO 30 Ca 0.01 1.81 -0.15 0.00 0.02 0.00 0.00 61.00 62.70 1rv1 s PRO 30 Cb -0.20 -3.35 0.09 0.00 0.02 0.00 0.00 34.50 31.05 1rv1 s PRO 30 CO -0.04 -0.30 0.36 1.63 -0.33 0.00 0.00 177.00 178.32 1rv1 n LYS 31 N 4.02 -0.91 -0.29 5.54 5.02 0.91 -4.11 118.16 128.35 1rv1 n LYS 31 Ca 0.09 -0.23 0.02 0.00 -2.02 0.00 0.00 58.31 56.17 1rv1 n LYS 31 Cb 0.46 -1.86 0.09 0.00 -0.02 0.00 0.00 35.03 33.70 1rv1 n LYS 31 CO 0.00 0.00 0.00 -1.35 -0.52 0.00 0.00 177.40 175.53 1rv1 h PRO 32 N -1.84 -0.01 0.01 1.97 0.11 -1.95 0.37 132.00 130.66 1rv1 h PRO 32 Ca -0.48 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.63 1rv1 h PRO 32 Cb 1.31 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.42 1rv1 h PRO 32 CO 0.37 -0.01 -0.01 0.93 -0.21 0.00 0.00 178.00 179.07 1rv1 h GLU 33 N -0.01 -0.02 -0.96 1.05 4.39 -1.94 -1.11 114.58 115.97 1rv1 h GLU 33 Ca 0.38 0.00 0.04 0.00 0.34 0.00 0.00 59.36 60.12 1rv1 h GLU 33 Cb 0.60 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.19 1rv1 h GLU 33 CO -0.84 -0.01 0.63 1.25 -1.16 0.00 0.00 179.01 178.87 1rv1 h LEU 34 N -0.02 1.04 -0.30 1.33 5.85 -1.80 -2.38 115.31 119.02 1rv1 h LEU 34 Ca -0.00 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.77 1rv1 h LEU 34 Cb 0.02 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.77 1rv1 h LEU 34 CO -0.00 0.70 0.00 0.25 -0.34 0.00 0.00 178.44 179.05 1rv1 h LEU 35 N 1.20 -0.12 -1.13 2.25 5.85 -0.19 -0.13 115.31 123.04 1rv1 h LEU 35 Ca 0.39 0.07 0.06 0.00 0.84 0.00 0.00 57.88 59.24 1rv1 h LEU 35 Cb 0.03 0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 1rv1 h LEU 35 CO -0.13 -0.03 0.59 0.50 -0.34 0.00 0.00 178.44 179.04 1rv1 h LYS 36 N 0.09 1.02 0.95 1.25 3.64 -0.75 -2.63 116.57 120.14 1rv1 h LYS 36 Ca 0.15 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 1rv1 h LYS 36 Cb 0.19 -0.23 0.01 0.00 -0.41 0.00 0.00 32.23 31.79 1rv1 h LYS 36 CO -0.24 0.67 -0.46 1.25 -2.27 0.00 0.00 179.45 178.40 1rv1 h LEU 37 N 1.05 -1.08 -0.92 5.20 7.12 -0.59 -2.83 115.31 123.26 1rv1 h LEU 37 Ca 0.39 0.04 0.24 0.00 0.13 0.00 0.00 57.88 58.67 1rv1 h LEU 37 Cb 0.18 0.28 -0.13 0.00 -0.53 0.00 0.00 40.66 40.46 1rv1 h LEU 37 CO -0.14 -0.74 0.43 -0.07 -0.13 0.00 0.00 178.44 177.78 1rv1 h LEU 38 N -1.33 0.36 -0.47 2.25 3.38 -1.04 0.94 115.31 119.40 1rv1 h LEU 38 Ca -0.13 0.16 0.09 0.00 0.09 0.00 0.00 57.88 58.09 1rv1 h LEU 38 Cb 0.98 0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.78 1rv1 h LEU 38 CO 0.21 -0.02 -0.06 0.11 0.09 0.00 0.00 178.44 178.78 1rv1 h LYS 39 N 0.39 0.05 -0.30 1.13 1.57 -1.26 -1.77 116.57 116.38 1rv1 h LYS 39 Ca 0.59 -0.00 0.09 0.00 -1.87 0.00 0.00 60.65 59.46 1rv1 h LYS 39 Cb 1.17 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 1rv1 h LYS 39 CO -0.55 0.04 0.67 0.66 -0.57 0.00 0.00 179.45 179.70 1rv1 h SER 40 N 0.05 0.00 -0.61 0.86 4.64 -0.57 0.39 113.55 118.31 1rv1 h SER 40 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1rv1 h SER 40 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1rv1 h SER 40 CO -0.44 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 176.85 1rv1 n VAL 41 N -3.08 2.38 -1.64 0.95 0.24 -0.67 -4.91 118.33 111.60 1rv1 n VAL 41 Ca 0.06 -1.33 0.00 0.00 -2.04 0.00 0.00 64.34 61.03 1rv1 n VAL 41 Cb 0.79 -0.10 0.00 0.00 -1.47 0.00 0.00 33.84 33.06 1rv1 n VAL 41 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1rv1 n GLY 42 N 0.85 0.94 3.89 7.63 0.00 0.13 -5.04 105.19 113.60 1rv1 n GLY 42 Ca 0.27 -0.51 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 1rv1 n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rv1 s ALA 43 N -2.50 3.91 -0.42 4.61 0.00 -1.08 -5.03 121.76 121.24 1rv1 s ALA 43 Ca 0.00 -0.68 0.07 0.00 0.00 0.00 0.00 51.96 51.36 1rv1 s ALA 43 Cb 0.00 -1.97 0.24 0.00 0.00 0.00 0.00 23.12 21.39 1rv1 s ALA 43 CO 0.00 0.70 0.52 1.04 0.00 0.00 0.00 175.76 178.02 1rv1 n GLN 44 N 1.07 0.86 -3.50 0.00 6.02 -1.26 -4.53 117.38 116.03 1rv1 n GLN 44 Ca -0.11 -3.38 -0.09 0.00 -0.01 0.00 0.00 57.00 53.41 1rv1 n GLN 44 Cb 0.53 -1.38 -0.02 0.00 1.02 0.00 0.00 30.24 30.39 1rv1 n GLN 44 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1rv1 s LYS 45 N -1.19 0.87 0.01 -1.09 1.02 -1.26 -5.00 119.74 113.09 1rv1 s LYS 45 Ca 0.35 -0.32 0.22 0.00 0.02 0.00 0.00 55.97 56.24 1rv1 s LYS 45 Cb 0.15 0.40 -0.09 0.00 -0.52 0.00 0.00 37.83 37.77 1rv1 s LYS 45 CO -0.11 -0.38 0.95 -0.25 -0.92 0.00 0.00 175.35 174.64 1rv1 n ASP 46 N -0.26 0.75 -3.83 2.83 9.92 -1.26 -4.89 116.55 119.80 1rv1 n ASP 46 Ca -0.09 -0.65 -0.12 0.00 -0.53 0.00 0.00 54.79 53.40 1rv1 n ASP 46 Cb 0.62 0.97 -0.12 0.00 -0.64 0.00 0.00 41.12 41.95 1rv1 n ASP 46 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1rv1 s THR 47 N -3.09 0.03 0.00 -3.53 -4.23 -1.25 -3.76 115.64 99.81 1rv1 s THR 47 Ca 0.06 -0.21 0.00 0.00 -1.18 0.00 0.00 61.69 60.35 1rv1 s THR 47 Cb 0.16 -0.29 0.00 0.00 1.34 0.00 0.00 72.50 73.70 1rv1 s THR 47 CO 0.84 -0.12 0.00 -1.22 -0.54 0.00 0.00 174.62 173.58 1rv1 n TYR 48 N 2.52 -0.08 -4.94 3.99 4.02 -0.90 -4.81 117.16 116.95 1rv1 n TYR 48 Ca -0.16 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.41 1rv1 n TYR 48 Cb 0.58 0.00 -0.14 0.00 -0.02 0.00 0.00 39.34 39.76 1rv1 n TYR 48 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1rv1 s THR 49 N -1.96 2.87 0.26 -0.72 -4.23 -1.26 -0.05 115.64 110.55 1rv1 s THR 49 Ca 0.00 -0.78 0.03 0.00 -1.18 0.00 0.00 61.69 59.76 1rv1 s THR 49 Cb 0.00 -2.13 0.35 0.00 1.34 0.00 0.00 72.50 72.06 1rv1 s THR 49 CO 0.00 0.57 1.31 0.23 -0.54 0.00 0.00 174.62 176.19 1rv1 n MET 50 N 2.67 -0.07 -0.15 3.99 2.81 -1.26 0.19 117.12 125.31 1rv1 n MET 50 Ca -0.17 1.24 0.14 0.00 -1.81 0.00 0.00 57.70 57.10 1rv1 n MET 50 Cb 0.52 -1.99 0.49 0.00 -0.71 0.00 0.00 33.22 31.53 1rv1 n MET 50 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 1rv1 h LYS 51 N 0.00 0.42 -0.01 0.03 3.64 -1.96 -0.74 116.57 117.95 1rv1 h LYS 51 Ca 0.52 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.83 1rv1 h LYS 51 Cb 1.10 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1rv1 h LYS 51 CO -0.77 0.28 -0.16 0.93 -2.27 0.00 0.00 179.45 177.46 1rv1 h GLU 52 N 0.44 0.13 0.08 1.90 5.08 0.18 -3.12 114.58 119.27 1rv1 h GLU 52 Ca 0.35 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1rv1 h GLU 52 Cb 0.74 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 1rv1 h GLU 52 CO -0.11 0.84 -0.08 0.28 -1.00 0.00 0.00 179.01 178.94 1rv1 h VAL 53 N -0.54 0.00 -1.00 3.13 2.07 -0.71 -2.24 116.25 116.96 1rv1 h VAL 53 Ca -0.02 0.00 0.38 0.00 0.82 0.00 0.00 66.70 67.89 1rv1 h VAL 53 Cb 0.89 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.49 1rv1 h VAL 53 CO 0.03 0.00 0.55 -0.07 0.02 0.00 0.00 177.57 178.10 1rv1 h LEU 54 N -0.16 0.39 -1.07 2.57 3.38 -1.33 1.26 115.31 120.35 1rv1 h LEU 54 Ca -0.01 0.23 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 1rv1 h LEU 54 Cb 0.13 0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1rv1 h LEU 54 CO -0.01 -0.32 0.36 0.15 0.09 0.00 0.00 178.44 178.71 1rv1 h PHE 55 N 0.12 1.00 0.06 1.13 3.57 -1.39 -0.07 116.94 121.36 1rv1 h PHE 55 Ca 0.81 -0.03 -0.16 0.00 3.53 0.00 0.00 57.97 62.11 1rv1 h PHE 55 Cb 2.03 -0.32 0.02 0.00 2.79 0.00 0.00 35.95 40.47 1rv1 h PHE 55 CO -0.01 0.72 -0.67 1.88 -2.23 0.00 0.00 178.31 178.00 1rv1 h TYR 56 N 1.01 0.57 -0.74 0.41 0.05 0.20 -2.40 116.97 116.07 1rv1 h TYR 56 Ca 0.25 -0.35 0.07 0.00 0.05 0.00 0.00 58.73 58.76 1rv1 h TYR 56 Cb 0.08 -0.05 -0.05 0.00 1.01 0.00 0.00 36.73 37.73 1rv1 h TYR 56 CO 0.01 1.20 0.49 -0.07 -1.05 0.00 0.00 178.16 178.74 1rv1 h LEU 57 N -0.23 0.65 -0.71 3.88 3.38 -0.65 0.37 115.31 122.01 1rv1 h LEU 57 Ca -0.10 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.76 1rv1 h LEU 57 Cb 1.43 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 1rv1 h LEU 57 CO 0.13 0.41 -0.25 1.23 0.09 0.00 0.00 178.44 180.05 1rv1 h GLY 58 N 0.74 0.78 0.98 0.83 0.00 -1.00 -1.72 103.07 103.68 1rv1 h GLY 58 Ca 0.33 -0.68 -0.12 0.00 0.00 0.00 0.00 47.33 46.86 1rv1 h GLY 58 CO -0.11 0.62 -0.28 1.46 0.00 0.00 0.00 176.54 178.23 1rv1 h GLN 59 N 0.63 0.72 0.25 4.80 1.08 -0.39 -2.16 115.11 120.04 1rv1 h GLN 59 Ca 0.08 -0.37 -0.01 0.00 -1.45 0.00 0.00 58.65 56.91 1rv1 h GLN 59 Cb 0.75 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.18 1rv1 h GLN 59 CO 0.06 0.99 -0.28 -0.92 -0.95 0.00 0.00 178.83 177.72 1rv1 h TYR 60 N 0.47 -0.79 -0.42 2.96 3.20 -0.22 -2.35 116.97 119.81 1rv1 h TYR 60 Ca 0.05 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.01 1rv1 h TYR 60 Cb 0.84 0.31 -0.09 0.00 1.54 0.00 0.00 36.73 39.33 1rv1 h TYR 60 CO 0.07 -0.37 -0.29 0.82 -1.64 0.00 0.00 178.16 176.75 1rv1 h ILE 61 N -0.54 0.26 0.00 1.81 2.04 -1.36 0.05 117.51 119.77 1rv1 h ILE 61 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1rv1 h ILE 61 Cb 0.48 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 1rv1 h ILE 61 CO -0.05 0.00 0.00 0.23 0.00 0.00 0.00 178.15 178.33 1rv1 n MET 62 N -5.41 0.00 0.17 2.37 2.81 -0.81 -0.93 117.12 115.32 1rv1 n MET 62 Ca 0.02 0.45 0.18 0.00 -1.81 0.00 0.00 57.70 56.54 1rv1 n MET 62 Cb 0.33 -1.33 0.80 0.00 -0.71 0.00 0.00 33.22 32.31 1rv1 n MET 62 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 1rv1 h THR 63 N 0.00 0.39 0.00 2.03 2.02 -1.45 1.10 112.91 117.00 1rv1 h THR 63 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1rv1 h THR 63 Cb 0.00 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1rv1 h THR 63 CO 0.00 0.00 0.00 1.17 0.37 0.00 0.00 175.52 177.06 1rv1 n LYS 64 N -3.69 0.13 -3.34 6.66 3.00 0.00 -4.96 118.16 115.96 1rv1 n LYS 64 Ca 0.03 0.12 -0.10 0.00 -0.00 0.00 0.00 58.31 58.36 1rv1 n LYS 64 Cb 0.44 -1.65 0.00 0.00 0.00 0.00 0.00 35.03 33.82 1rv1 n LYS 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1rv1 n ARG 65 N -1.88 -1.41 -0.09 1.64 1.74 0.38 -4.93 116.66 112.11 1rv1 n ARG 65 Ca 0.06 1.19 0.03 0.00 -0.77 0.00 0.00 57.85 58.36 1rv1 n ARG 65 Cb 0.37 -4.51 0.08 0.00 -1.02 0.00 0.00 32.46 27.39 1rv1 n ARG 65 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1rv1 n LEU 66 N -2.19 2.46 -4.77 0.55 4.77 -1.02 -5.01 117.00 111.79 1rv1 n LEU 66 Ca -0.12 -2.13 -0.33 0.00 -0.03 0.00 0.00 56.01 53.41 1rv1 n LEU 66 Cb 0.57 -0.14 -0.07 0.00 -2.33 0.00 0.00 43.42 41.45 1rv1 n LEU 66 CO 0.57 0.61 -0.26 -0.72 -1.33 0.00 0.00 177.39 176.27 1rv1 s TYR 67 N -1.23 3.27 0.18 -1.77 -0.85 -1.26 0.12 117.35 115.81 1rv1 s TYR 67 Ca 0.13 0.20 -0.33 0.00 -0.52 0.00 0.00 57.07 56.54 1rv1 s TYR 67 Cb 0.08 -1.73 -0.14 0.00 0.38 0.00 0.00 41.96 40.55 1rv1 s TYR 67 CO 0.06 0.54 1.51 -3.47 -1.52 0.00 0.00 175.55 172.67 1rv1 n ASP 68 N 1.22 2.86 0.19 -0.18 4.64 0.10 -4.86 116.55 120.52 1rv1 n ASP 68 Ca -0.13 1.10 0.14 0.00 -1.38 0.00 0.00 54.79 54.52 1rv1 n ASP 68 Cb 0.53 -1.41 0.58 0.00 -1.04 0.00 0.00 41.12 39.78 1rv1 n ASP 68 CO 0.00 0.00 0.00 1.05 -0.82 0.00 0.00 177.20 177.43 1rv1 h GLU 69 N 5.29 0.00 -0.22 -0.67 4.11 -1.97 -2.68 114.58 118.44 1rv1 h GLU 69 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 1rv1 h GLU 69 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 1rv1 h GLU 69 CO 0.84 0.00 0.00 1.63 0.07 0.00 0.00 179.01 181.55 1rv1 n LYS 70 N -2.53 2.69 -2.82 1.06 5.02 -1.26 -4.74 118.16 115.58 1rv1 n LYS 70 Ca 0.01 -1.81 -0.03 0.00 -2.02 0.00 0.00 58.31 54.46 1rv1 n LYS 70 Cb 0.24 -1.18 0.01 0.00 -0.02 0.00 0.00 35.03 34.07 1rv1 n LYS 70 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1rv1 s GLN 71 N -0.97 0.97 0.47 1.97 -0.21 -1.03 -5.02 119.66 115.84 1rv1 s GLN 71 Ca 0.15 -0.88 0.25 0.00 0.02 0.00 0.00 55.36 54.91 1rv1 s GLN 71 Cb 0.08 -0.02 1.38 0.00 1.00 0.00 0.00 33.01 35.45 1rv1 s GLN 71 CO 0.11 -1.22 1.75 1.96 -2.12 0.00 0.00 175.29 175.77 1rv1 h GLN 72 N 5.23 0.00 0.00 2.91 4.20 -1.80 -0.40 115.11 125.25 1rv1 h GLN 72 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1rv1 h GLN 72 Cb 1.13 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.91 1rv1 h GLN 72 CO 0.01 0.00 0.00 -2.39 -0.67 0.00 0.00 178.83 175.78 1rv1 n HIS 73 N -2.50 0.00 -3.64 2.96 1.44 -1.26 -4.69 115.22 107.54 1rv1 n HIS 73 Ca -0.02 0.00 -0.37 0.00 -2.01 0.00 0.00 57.72 55.33 1rv1 n HIS 73 Cb 0.20 -0.37 -0.09 0.00 0.12 0.00 0.00 29.99 29.86 1rv1 n HIS 73 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1rv1 s ILE 74 N -2.73 5.35 -0.24 0.61 1.01 -0.16 -1.60 121.20 123.43 1rv1 s ILE 74 Ca 0.21 0.24 -0.05 0.00 0.00 0.00 0.00 60.65 61.05 1rv1 s ILE 74 Cb 0.18 -3.52 -0.00 0.00 0.01 0.00 0.00 42.46 39.13 1rv1 s ILE 74 CO 0.44 0.35 -0.00 -0.69 0.00 0.00 0.00 174.94 175.03 1rv1 s VAL 75 N 1.01 3.56 -0.59 2.92 1.01 0.16 -0.72 120.40 127.74 1rv1 s VAL 75 Ca 0.09 -0.57 -0.15 0.00 0.00 0.00 0.00 61.98 61.35 1rv1 s VAL 75 Cb -0.13 -2.70 0.15 0.00 0.00 0.00 0.00 36.38 33.69 1rv1 s VAL 75 CO 0.04 0.30 0.54 -0.31 0.00 0.00 0.00 175.10 175.68 1rv1 s TYR 76 N 1.48 3.37 -0.09 5.22 2.02 0.32 -0.42 117.35 129.25 1rv1 s TYR 76 Ca 0.04 -1.49 0.22 0.00 -0.37 0.00 0.00 57.07 55.47 1rv1 s TYR 76 Cb -0.15 -3.77 -0.24 0.00 -0.40 0.00 0.00 41.96 37.39 1rv1 s TYR 76 CO -0.01 -1.01 0.63 0.00 -1.57 0.00 0.00 175.55 173.59 1rv1 n SER 78 N -2.40 -3.60 -1.89 0.00 3.41 0.14 -1.63 113.62 107.65 1rv1 n SER 78 Ca -0.04 0.29 -0.17 0.00 -0.26 0.00 0.00 58.87 58.70 1rv1 n SER 78 Cb 0.58 -1.03 -0.01 0.00 -0.26 0.00 0.00 64.21 63.49 1rv1 n SER 78 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1rv1 n ASN 79 N 0.69 -5.04 -3.58 4.04 3.02 -1.26 -4.93 115.26 108.21 1rv1 n ASN 79 Ca 0.04 0.02 -0.16 0.00 -0.03 0.00 0.00 54.58 54.45 1rv1 n ASN 79 Cb 0.54 -4.12 -0.07 0.00 -0.61 0.00 0.00 39.78 35.52 1rv1 n ASN 79 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1rv1 s ASP 80 N -2.28 -0.69 0.38 6.41 2.15 -0.65 -5.04 116.67 116.95 1rv1 s ASP 80 Ca 0.00 1.07 0.17 0.00 0.43 0.00 0.00 52.55 54.22 1rv1 s ASP 80 Cb 0.00 0.99 1.08 0.00 -0.30 0.00 0.00 42.92 44.69 1rv1 s ASP 80 CO 0.00 -0.43 1.75 0.25 -0.17 0.00 0.00 175.17 176.58 1rv1 h LEU 81 N 4.02 0.48 -1.01 -1.34 5.85 -1.93 0.17 115.31 121.55 1rv1 h LEU 81 Ca -0.28 0.10 0.11 0.00 0.84 0.00 0.00 57.88 58.64 1rv1 h LEU 81 Cb 1.15 0.02 -0.08 0.00 0.37 0.00 0.00 40.66 42.12 1rv1 h LEU 81 CO 0.22 0.07 0.64 0.25 -0.34 0.00 0.00 178.44 179.28 1rv1 h LEU 82 N 0.41 0.96 -1.20 2.25 5.85 -1.96 0.11 115.31 121.72 1rv1 h LEU 82 Ca 0.62 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 59.33 1rv1 h LEU 82 Cb 1.51 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.36 1rv1 h LEU 82 CO -0.34 0.53 0.03 1.23 -0.34 0.00 0.00 178.44 179.55 1rv1 h GLY 83 N 1.04 0.62 0.93 3.75 0.00 -0.71 -1.38 103.07 107.33 1rv1 h GLY 83 Ca 0.48 -0.36 -0.04 0.00 0.00 0.00 0.00 47.33 47.41 1rv1 h GLY 83 CO -0.24 0.34 -0.36 -0.55 0.00 0.00 0.00 176.54 175.72 1rv1 h ASP 84 N 0.56 -0.86 -0.71 0.19 3.45 -0.77 1.31 116.42 119.58 1rv1 h ASP 84 Ca 0.12 0.01 0.11 0.00 0.43 0.00 0.00 57.03 57.71 1rv1 h ASP 84 Cb 0.31 0.22 -0.08 0.00 -0.56 0.00 0.00 39.33 39.23 1rv1 h ASP 84 CO 0.01 -0.57 0.31 -0.07 -1.57 0.00 0.00 179.24 177.35 1rv1 h LEU 85 N -1.10 0.35 0.00 1.55 3.38 -1.06 -2.41 115.31 116.02 1rv1 h LEU 85 Ca -0.10 0.08 -0.16 0.00 0.09 0.00 0.00 57.88 57.79 1rv1 h LEU 85 Cb 0.80 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 1rv1 h LEU 85 CO 0.17 0.18 -1.14 -0.26 0.09 0.00 0.00 178.44 177.48 1rv1 h PHE 86 N 0.51 0.00 -2.11 1.13 0.04 -1.22 -3.46 116.94 111.83 1rv1 h PHE 86 Ca 0.37 0.00 -0.12 0.00 2.80 0.00 0.00 57.97 61.02 1rv1 h PHE 86 Cb 0.47 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.65 1rv1 h PHE 86 CO -0.14 0.59 -0.19 0.41 -0.60 0.00 0.00 178.31 178.38 1rv1 n GLY 87 N 1.35 0.43 3.05 -1.45 0.00 0.44 -4.98 105.19 104.03 1rv1 n GLY 87 Ca -0.06 -0.45 -0.12 0.00 0.00 0.00 0.00 46.02 45.39 1rv1 n GLY 87 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1rv1 s VAL 88 N -2.93 0.04 0.17 1.61 -7.23 -0.81 -5.03 120.40 106.21 1rv1 s VAL 88 Ca 0.14 -0.29 0.00 0.00 -1.81 0.00 0.00 61.98 60.02 1rv1 s VAL 88 Cb -0.06 -0.29 -0.12 0.00 0.56 0.00 0.00 36.38 36.46 1rv1 s VAL 88 CO 0.17 -0.16 1.41 1.55 -0.31 0.00 0.00 175.10 177.76 1rv1 h PRO 89 N 5.28 0.31 -3.39 4.82 0.13 -1.95 -3.37 132.00 133.83 1rv1 h PRO 89 Ca -0.27 -0.29 -0.06 0.00 -0.87 0.00 0.00 66.00 64.51 1rv1 h PRO 89 Cb 1.20 0.07 -0.05 0.00 0.13 0.00 0.00 31.00 32.35 1rv1 h PRO 89 CO 0.41 0.96 0.08 -1.54 -0.23 0.00 0.00 178.00 177.68 1rv1 s SER 90 N -6.97 0.11 -0.11 1.44 1.04 -1.26 0.27 113.70 108.24 1rv1 s SER 90 Ca -0.04 -1.05 -0.33 0.00 0.48 0.00 0.00 55.95 55.01 1rv1 s SER 90 Cb 0.10 0.72 0.13 0.00 0.10 0.00 0.00 66.02 67.07 1rv1 s SER 90 CO 0.83 -1.41 1.19 0.72 0.98 0.00 0.00 173.24 175.56 1rv1 s PHE 91 N -3.21 -0.12 -0.08 5.02 -0.12 0.44 -4.93 117.98 114.97 1rv1 s PHE 91 Ca 0.19 0.04 -0.04 0.00 -0.05 0.00 0.00 56.93 57.07 1rv1 s PHE 91 Cb -0.03 0.53 -0.04 0.00 -0.63 0.00 0.00 43.02 42.85 1rv1 s PHE 91 CO 0.12 -0.29 0.08 0.45 -0.05 0.00 0.00 175.22 175.54 1rv1 s SER 92 N -2.48 5.86 0.00 1.98 0.15 -1.26 0.37 113.70 118.33 1rv1 s SER 92 Ca 0.11 0.29 0.10 0.00 0.70 0.00 0.00 55.95 57.15 1rv1 s SER 92 Cb 0.01 -1.78 0.47 0.00 -1.71 0.00 0.00 66.02 63.01 1rv1 s SER 92 CO -0.04 0.37 1.29 1.33 1.20 0.00 0.00 173.24 177.38 1rv1 n VAL 93 N 1.84 1.08 0.70 4.45 0.24 -0.63 -1.19 118.33 124.82 1rv1 n VAL 93 Ca -0.18 0.27 0.12 0.00 -2.04 0.00 0.00 64.34 62.52 1rv1 n VAL 93 Cb 0.54 -1.09 0.28 0.00 -1.47 0.00 0.00 33.84 32.10 1rv1 n VAL 93 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1rv1 n LYS 94 N -1.41 0.20 -2.77 7.34 5.02 -1.26 -4.49 118.16 120.79 1rv1 n LYS 94 Ca 0.03 0.09 -0.43 0.00 -2.02 0.00 0.00 58.31 55.98 1rv1 n LYS 94 Cb 0.11 -1.66 -0.01 0.00 -0.02 0.00 0.00 35.03 33.45 1rv1 n LYS 94 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1rv1 s GLU 95 N -3.11 3.92 0.00 1.97 2.02 -0.33 -4.86 118.70 118.32 1rv1 s GLU 95 Ca 0.09 -2.08 -0.25 0.00 0.02 0.00 0.00 54.97 52.76 1rv1 s GLU 95 Cb 0.14 -5.25 -0.15 0.00 0.10 0.00 0.00 34.13 28.98 1rv1 s GLU 95 CO 0.67 -2.00 1.08 0.45 0.02 0.00 0.00 175.26 175.49 1rv1 h HIS 96 N 7.88 -0.68 -0.36 1.61 3.86 -1.84 -2.07 115.15 123.54 1rv1 h HIS 96 Ca 0.32 -0.02 0.04 0.00 -1.16 0.00 0.00 60.37 59.56 1rv1 h HIS 96 Cb 0.91 0.22 -0.04 0.00 1.06 0.00 0.00 27.41 29.56 1rv1 h HIS 96 CO 1.25 -0.36 0.12 -0.09 0.86 0.00 0.00 177.93 179.71 1rv1 h ARG 97 N -1.08 0.26 -0.75 2.45 2.43 -1.98 -0.63 114.38 115.07 1rv1 h ARG 97 Ca -0.07 -0.02 0.17 0.00 -0.81 0.00 0.00 59.98 59.25 1rv1 h ARG 97 Cb 0.62 -0.06 -0.11 0.00 -0.42 0.00 0.00 29.97 30.00 1rv1 h ARG 97 CO 0.12 0.17 0.17 -0.22 -1.51 0.00 0.00 179.97 178.70 1rv1 h LYS 98 N 0.27 0.24 0.00 0.20 3.64 -1.97 2.51 116.57 121.46 1rv1 h LYS 98 Ca 0.17 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1rv1 h LYS 98 Cb 0.15 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1rv1 h LYS 98 CO -0.18 0.16 -0.16 0.82 -2.27 0.00 0.00 179.45 177.82 1rv1 h ILE 99 N 0.25 0.43 0.00 2.00 2.04 -0.54 0.26 117.51 121.96 1rv1 h ILE 99 Ca 0.43 -0.91 -0.04 0.00 1.00 0.00 0.00 64.86 65.34 1rv1 h ILE 99 Cb 0.75 1.65 -0.01 0.00 -0.74 0.00 0.00 36.82 38.47 1rv1 h ILE 99 CO -0.54 0.16 -0.26 1.88 0.00 0.00 0.00 178.15 179.39 1rv1 h TYR 100 N 0.00 0.00 -0.77 1.37 0.99 0.18 -2.84 116.97 115.89 1rv1 h TYR 100 Ca -0.00 0.00 0.17 0.00 2.00 0.00 0.00 58.73 60.90 1rv1 h TYR 100 Cb 0.64 0.00 -0.11 0.00 1.00 0.00 0.00 36.73 38.25 1rv1 h TYR 100 CO 0.00 0.89 0.21 1.15 -0.00 0.00 0.00 178.16 180.41 1rv1 h THR 101 N -1.00 0.49 -0.14 -2.88 2.02 0.41 0.27 112.91 112.08 1rv1 h THR 101 Ca -0.07 -0.10 -0.08 0.00 0.77 0.00 0.00 66.41 66.93 1rv1 h THR 101 Cb 0.88 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 1rv1 h THR 101 CO -0.04 0.05 -0.27 0.24 0.37 0.00 0.00 175.52 175.87 1rv1 h MET 102 N 0.29 0.26 0.00 6.66 2.86 -0.58 -2.67 114.93 121.76 1rv1 h MET 102 Ca 0.45 -0.09 -0.07 0.00 -2.06 0.00 0.00 59.70 57.92 1rv1 h MET 102 Cb 0.79 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.42 1rv1 h MET 102 CO -0.53 0.52 -0.71 0.82 1.06 0.00 0.00 176.91 178.07 1rv1 h ILE 103 N 0.24 0.39 0.00 -1.22 2.04 -0.70 -3.23 117.51 115.03 1rv1 h ILE 103 Ca 0.04 -1.62 -0.02 0.00 1.00 0.00 0.00 64.86 64.26 1rv1 h ILE 103 Cb 0.61 2.03 -0.00 0.00 -0.74 0.00 0.00 36.82 38.72 1rv1 h ILE 103 CO 0.04 0.22 -0.09 1.88 0.00 0.00 0.00 178.15 180.20 1rv1 h TYR 104 N 0.00 0.00 -0.01 1.37 0.99 -0.30 -1.79 116.97 117.23 1rv1 h TYR 104 Ca -0.04 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.69 1rv1 h TYR 104 Cb 1.26 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.99 1rv1 h TYR 104 CO 0.00 0.09 -0.15 0.54 -0.00 0.00 0.00 178.16 178.64 1rv1 n ARG 105 N -3.17 0.88 -0.16 4.88 1.74 -1.03 -3.43 116.66 116.37 1rv1 n ARG 105 Ca 0.02 -0.42 0.10 0.00 -0.77 0.00 0.00 57.85 56.78 1rv1 n ARG 105 Cb 0.44 -1.49 0.17 0.00 -1.02 0.00 0.00 32.46 30.55 1rv1 n ARG 105 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1rv1 n ASN 106 N -0.70 2.64 -4.10 0.55 5.03 -0.69 -4.98 115.26 113.01 1rv1 n ASN 106 Ca 0.14 -3.10 -0.23 0.00 0.87 0.00 0.00 54.58 52.27 1rv1 n ASN 106 Cb 0.31 -0.46 -0.15 0.00 -1.02 0.00 0.00 39.78 38.46 1rv1 n ASN 106 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1rv1 s LEU 107 N -2.88 1.95 -0.16 3.41 1.43 -1.10 -0.06 118.68 121.27 1rv1 s LEU 107 Ca 0.34 -0.27 -0.29 0.00 -1.03 0.00 0.00 54.13 52.88 1rv1 s LEU 107 Cb 0.29 -0.75 -0.01 0.00 0.03 0.00 0.00 46.19 45.75 1rv1 s LEU 107 CO 0.04 0.15 1.16 -0.69 0.23 0.00 0.00 176.35 177.24 1rv1 s VAL 108 N -0.15 4.45 0.00 -1.59 1.01 0.77 -4.79 120.40 120.11 1rv1 s VAL 108 Ca 0.02 1.75 0.00 0.00 0.00 0.00 0.00 61.98 63.75 1rv1 s VAL 108 Cb -0.07 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.17 1rv1 s VAL 108 CO 0.00 -0.11 0.00 0.52 0.00 0.00 0.00 175.10 175.51