#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jvo s ILE 3 N 0.00 5.00 -0.21 0.00 1.01 -1.26 -5.05 121.20 120.69 3jvo s ILE 3 Ca 0.00 1.09 -0.19 0.00 0.00 0.00 0.00 60.65 61.55 3jvo s ILE 3 Cb 0.00 -3.86 -0.03 0.00 0.01 0.00 0.00 42.46 38.58 3jvo s ILE 3 CO 0.00 0.43 0.55 -0.62 0.00 0.00 0.00 174.94 175.30 3jvo s ASP 4 N -0.18 6.59 0.40 3.58 -1.08 -1.26 -4.98 116.67 119.75 3jvo s ASP 4 Ca 0.28 0.71 0.19 0.00 -0.52 0.00 0.00 52.55 53.21 3jvo s ASP 4 Cb -0.17 -2.31 1.11 0.00 -1.46 0.00 0.00 42.92 40.09 3jvo s ASP 4 CO 0.15 -0.22 1.79 1.62 0.52 0.00 0.00 175.17 179.02 3jvo h VAL 5 N 5.17 0.55 0.00 1.11 3.04 -1.93 -0.40 116.25 123.80 3jvo h VAL 5 Ca -0.32 -0.13 0.00 0.00 -1.01 0.00 0.00 66.70 65.23 3jvo h VAL 5 Cb 1.15 0.13 0.00 0.00 -2.01 0.00 0.00 31.29 30.55 3jvo h VAL 5 CO 0.75 0.07 0.00 0.18 -1.01 0.00 0.00 177.57 177.56 3jvo n LEU 6 N -4.59 0.63 0.11 3.16 4.77 -1.25 -0.37 117.00 119.45 3jvo n LEU 6 Ca 0.24 0.63 0.13 0.00 -0.03 0.00 0.00 56.01 56.98 3jvo n LEU 6 Cb 0.85 -0.52 0.31 0.00 -2.33 0.00 0.00 43.42 41.73 3jvo n LEU 6 CO 0.27 -0.45 0.74 0.44 -1.33 0.00 0.00 177.39 177.06 3jvo h ASP 7 N 0.00 0.00 0.00 -1.43 3.32 -1.48 -3.34 116.42 113.49 3jvo h ASP 7 Ca 0.00 -0.04 -0.28 0.00 0.02 0.00 0.00 57.03 56.72 3jvo h ASP 7 Cb 0.43 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.94 3jvo h ASP 7 CO 0.00 0.02 -1.71 0.52 -1.72 0.00 0.00 179.24 176.35 3jvo n VAL 8 N -2.36 1.52 -4.08 -1.35 0.31 0.27 -4.82 118.33 107.82 3jvo n VAL 8 Ca 0.05 -0.14 -0.25 0.00 -0.01 0.00 0.00 64.34 63.99 3jvo n VAL 8 Cb 0.45 -2.05 -0.17 0.00 -0.91 0.00 0.00 33.84 31.17 3jvo n VAL 8 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3jvo s ILE 9 N -2.48 0.88 0.70 2.52 1.01 0.50 -5.07 121.20 119.25 3jvo s ILE 9 Ca -0.32 -0.24 -0.14 0.00 0.00 0.00 0.00 60.65 59.95 3jvo s ILE 9 Cb 0.09 -0.89 0.02 0.00 0.01 0.00 0.00 42.46 41.69 3jvo s ILE 9 CO 0.49 0.33 1.11 -0.94 0.00 0.00 0.00 174.94 175.92 3jvo s SER 10 N 1.39 4.89 0.39 3.58 1.04 -1.25 -3.94 113.70 119.80 3jvo s SER 10 Ca -0.02 1.96 0.11 0.00 0.48 0.00 0.00 55.95 58.48 3jvo s SER 10 Cb -0.13 -2.54 0.90 0.00 0.10 0.00 0.00 66.02 64.34 3jvo s SER 10 CO -0.04 -1.78 1.93 0.25 0.98 0.00 0.00 173.24 174.59 3jvo h LEU 11 N -0.33 0.53 -0.51 2.42 6.46 -1.94 -2.03 115.31 119.91 3jvo h LEU 11 Ca -0.46 0.02 0.08 0.00 -0.12 0.00 0.00 57.88 57.40 3jvo h LEU 11 Cb 1.24 -0.09 -0.07 0.00 -0.73 0.00 0.00 40.66 41.02 3jvo h LEU 11 CO 0.53 0.31 0.14 -1.28 -0.62 0.00 0.00 178.44 177.51 3jvo h SER 12 N 0.58 0.08 -0.45 1.25 0.87 -2.00 -0.27 113.55 113.61 3jvo h SER 12 Ca 0.35 0.08 -0.13 0.00 -1.23 0.00 0.00 61.79 60.87 3jvo h SER 12 Cb 0.58 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.62 3jvo h SER 12 CO -0.13 0.07 -0.21 -0.07 -0.53 0.00 0.00 176.83 175.96 3jvo h LEU 13 N 0.29 0.97 -0.59 2.23 4.07 -1.75 -2.25 115.31 118.27 3jvo h LEU 13 Ca 0.25 -0.40 0.10 0.00 0.08 0.00 0.00 57.88 57.91 3jvo h LEU 13 Cb 0.32 -0.27 -0.07 0.00 1.08 0.00 0.00 40.66 41.72 3jvo h LEU 13 CO -0.30 1.15 0.19 -0.26 -1.08 0.00 0.00 178.44 178.14 3jvo h PHE 14 N 0.78 0.32 -0.87 1.13 0.04 -1.07 -1.12 116.94 116.15 3jvo h PHE 14 Ca 0.10 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.90 3jvo h PHE 14 Cb 0.78 -0.05 -0.04 0.00 2.20 0.00 0.00 35.95 38.83 3jvo h PHE 14 CO 0.05 0.06 0.54 0.87 -0.60 0.00 0.00 178.31 179.23 3jvo h LYS 15 N 0.35 1.17 -0.80 1.51 1.57 -0.90 -2.73 116.57 116.74 3jvo h LYS 15 Ca 0.30 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.95 3jvo h LYS 15 Cb 0.40 -0.25 -0.04 0.00 0.08 0.00 0.00 32.23 32.42 3jvo h LYS 15 CO -0.33 0.80 0.34 1.96 -0.57 0.00 0.00 179.45 181.65 3jvo h GLN 16 N 1.19 1.18 -0.73 3.15 4.20 -0.98 -1.02 115.11 122.10 3jvo h GLN 16 Ca 0.31 -0.20 0.12 0.00 0.06 0.00 0.00 58.65 58.94 3jvo h GLN 16 Cb -0.08 -0.20 -0.08 0.00 0.30 0.00 0.00 27.48 27.42 3jvo h GLN 16 CO -0.06 0.94 0.32 0.37 -0.67 0.00 0.00 178.83 179.72 3jvo h GLN 17 N 1.16 0.48 -0.69 1.46 5.75 -0.91 -1.48 115.11 120.89 3jvo h GLN 17 Ca 0.27 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.74 3jvo h GLN 17 Cb 0.19 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 28.63 3jvo h GLN 17 CO -0.03 0.32 0.00 0.44 -2.65 0.00 0.00 178.83 176.91 3jvo n ILE 18 N -4.95 1.11 -3.98 2.39 -5.35 -1.10 -4.96 119.36 102.52 3jvo n ILE 18 Ca 0.13 -0.97 -0.30 0.00 -0.27 0.00 0.00 62.75 61.34 3jvo n ILE 18 Cb 0.35 0.38 0.00 0.00 -1.74 0.00 0.00 39.64 38.64 3jvo n ILE 18 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3jvo n GLU 19 N 1.43 -4.40 -3.84 6.28 -0.58 -0.56 -4.94 120.64 114.02 3jvo n GLU 19 Ca 0.23 0.50 -0.36 0.00 -0.42 0.00 0.00 57.16 57.12 3jvo n GLU 19 Cb 0.64 -5.18 -0.13 0.00 -0.57 0.00 0.00 31.44 26.20 3jvo n GLU 19 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 3jvo s PHE 20 N -3.46 3.05 -0.56 -0.32 5.36 -0.49 -4.99 117.98 116.57 3jvo s PHE 20 Ca 0.49 -0.90 0.20 0.00 -0.96 0.00 0.00 56.93 55.76 3jvo s PHE 20 Cb -0.26 -2.17 -0.26 0.00 -0.34 0.00 0.00 43.02 39.99 3jvo s PHE 20 CO 0.87 -0.53 0.69 0.39 -1.46 0.00 0.00 175.22 175.17 3jvo n GLU 21 N 4.83 0.47 -1.43 10.12 1.02 -1.26 -4.62 120.64 129.77 3jvo n GLU 21 Ca -0.17 -0.08 -0.31 0.00 -0.02 0.00 0.00 57.16 56.59 3jvo n GLU 21 Cb 0.50 -1.47 0.07 0.00 -0.02 0.00 0.00 31.44 30.52 3jvo n GLU 21 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 3jvo s GLU 22 N -3.12 2.62 -0.08 3.49 2.02 -1.26 -4.98 118.70 117.38 3jvo s GLU 22 Ca 0.01 1.06 0.16 0.00 0.02 0.00 0.00 54.97 56.23 3jvo s GLU 22 Cb 0.14 -1.95 0.56 0.00 0.10 0.00 0.00 34.13 32.99 3jvo s GLU 22 CO 0.84 -1.36 1.48 -0.40 0.02 0.00 0.00 175.26 175.84 3jvo n ASP 23 N -3.30 3.99 -0.17 -0.19 5.75 -1.26 -4.62 116.55 116.75 3jvo n ASP 23 Ca 0.08 -2.36 0.09 0.00 -0.01 0.00 0.00 54.79 52.59 3jvo n ASP 23 Cb 0.53 -0.46 0.14 0.00 -1.03 0.00 0.00 41.12 40.30 3jvo n ASP 23 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 3jvo n ASP 24 N 0.74 2.51 -0.38 -1.12 5.75 -1.26 -4.54 116.55 118.26 3jvo n ASP 24 Ca 0.21 -2.96 0.05 0.00 -0.01 0.00 0.00 54.79 52.08 3jvo n ASP 24 Cb 0.72 -0.40 0.08 0.00 -1.03 0.00 0.00 41.12 40.49 3jvo n ASP 24 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3jvo n ARG 25 N -1.20 0.67 -0.11 0.11 5.12 -1.26 -4.86 116.66 115.12 3jvo n ARG 25 Ca 0.15 -1.91 -0.01 0.00 -1.93 0.00 0.00 57.85 54.16 3jvo n ARG 25 Cb 0.63 -0.98 0.25 0.00 -1.16 0.00 0.00 32.46 31.20 3jvo n ARG 25 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 3jvo h ASP 26 N 0.12 0.71 -0.02 0.55 3.32 -1.91 0.60 116.42 119.80 3jvo h ASP 26 Ca -0.01 -0.09 -0.18 0.00 0.02 0.00 0.00 57.03 56.77 3jvo h ASP 26 Cb 1.23 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.59 3jvo h ASP 26 CO 0.01 0.64 -0.63 1.05 -1.72 0.00 0.00 179.24 178.58 3jvo h GLU 27 N 0.78 0.63 0.05 3.56 4.11 -1.96 -1.61 114.58 120.14 3jvo h GLU 27 Ca 0.19 -0.45 -0.00 0.00 0.07 0.00 0.00 59.36 59.17 3jvo h GLU 27 Cb 0.15 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3jvo h GLU 27 CO -0.02 1.07 -0.02 1.25 0.07 0.00 0.00 179.01 181.35 3jvo h LEU 28 N 0.47 -0.06 -1.21 3.06 5.85 -1.86 -1.74 115.31 119.81 3jvo h LEU 28 Ca -0.01 -0.16 0.07 0.00 0.84 0.00 0.00 57.88 58.61 3jvo h LEU 28 Cb 1.21 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 42.20 3jvo h LEU 28 CO 0.12 0.13 0.56 0.40 -0.34 0.00 0.00 178.44 179.31 3jvo h ILE 29 N -0.24 1.05 -0.36 4.05 2.04 -0.90 -1.38 117.51 121.77 3jvo h ILE 29 Ca -0.01 -0.32 -0.05 0.00 1.00 0.00 0.00 64.86 65.48 3jvo h ILE 29 Cb 0.22 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.31 3jvo h ILE 29 CO 0.01 0.17 0.03 0.74 0.00 0.00 0.00 178.15 179.10 3jvo h THR 30 N 0.95 1.25 -0.34 -0.27 2.02 -1.08 -1.04 112.91 114.39 3jvo h THR 30 Ca 0.37 -0.91 0.02 0.00 0.77 0.00 0.00 66.41 66.66 3jvo h THR 30 Cb 0.22 1.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.75 3jvo h THR 30 CO -0.13 0.30 0.18 0.25 0.37 0.00 0.00 175.52 176.49 3jvo h LEU 31 N 0.44 0.27 -0.69 2.58 5.85 -0.65 0.23 115.31 123.33 3jvo h LEU 31 Ca 0.11 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.86 3jvo h LEU 31 Cb 0.41 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 3jvo h LEU 31 CO 0.01 0.20 0.44 1.88 -0.34 0.00 0.00 178.44 180.64 3jvo h TYR 32 N 0.37 0.84 -0.29 1.25 0.05 -1.13 0.79 116.97 118.84 3jvo h TYR 32 Ca 0.14 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.92 3jvo h TYR 32 Cb 0.04 -0.28 -0.01 0.00 1.01 0.00 0.00 36.73 37.49 3jvo h TYR 32 CO -0.09 0.50 0.11 0.00 -1.05 0.00 0.00 178.16 177.63 3jvo h ALA 33 N 1.28 0.38 -0.44 3.88 0.00 -0.84 0.12 119.26 123.64 3jvo h ALA 33 Ca 0.27 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3jvo h ALA 33 Cb -0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3jvo h ALA 33 CO -0.08 -0.01 0.26 1.96 0.00 0.00 0.00 179.25 181.37 3jvo h GLN 34 N 0.32 0.60 -0.37 0.00 4.20 -0.64 -0.62 115.11 118.60 3jvo h GLN 34 Ca 0.10 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 3jvo h GLN 34 Cb 0.19 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 3jvo h GLN 34 CO -0.01 0.46 0.19 0.00 -0.67 0.00 0.00 178.83 178.80 3jvo h ALA 35 N 1.11 0.48 -0.50 3.87 0.00 -0.71 -0.70 119.26 122.81 3jvo h ALA 35 Ca 0.16 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3jvo h ALA 35 Cb 0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3jvo h ALA 35 CO -0.03 0.02 0.24 0.00 0.00 0.00 0.00 179.25 179.49 3jvo h ALA 36 N 1.05 0.64 -0.13 0.00 0.00 -0.50 -1.59 119.26 118.74 3jvo h ALA 36 Ca 0.13 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3jvo h ALA 36 Cb 0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3jvo h ALA 36 CO -0.02 0.20 0.06 0.35 0.00 0.00 0.00 179.25 179.84 3jvo h PHE 37 N 0.66 0.18 -0.12 0.00 3.57 -1.03 -1.46 116.94 118.75 3jvo h PHE 37 Ca 0.17 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.71 3jvo h PHE 37 Cb 0.11 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 38.74 3jvo h PHE 37 CO -0.01 0.24 -0.19 0.22 -2.23 0.00 0.00 178.31 176.34 3jvo h ASP 38 N 0.08 -0.58 -0.10 0.41 3.58 -1.03 -2.81 116.42 115.97 3jvo h ASP 38 Ca 0.04 0.10 0.03 0.00 0.42 0.00 0.00 57.03 57.62 3jvo h ASP 38 Cb 0.12 0.26 -0.03 0.00 1.72 0.00 0.00 39.33 41.40 3jvo h ASP 38 CO -0.01 -0.24 -0.09 0.22 -2.88 0.00 0.00 179.24 176.24 3jvo h TYR 39 N -0.24 -0.23 0.00 0.28 3.20 -1.25 -1.77 116.97 116.96 3jvo h TYR 39 Ca 0.09 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.98 3jvo h TYR 39 Cb 0.38 0.12 0.00 0.00 1.54 0.00 0.00 36.73 38.77 3jvo h TYR 39 CO -0.29 -0.14 0.00 0.00 -1.64 0.00 0.00 178.16 176.08 3jvo n ARG 42 N 0.72 0.00 -0.05 0.00 5.12 -0.67 -1.14 116.66 120.64 3jvo n ARG 42 Ca 0.00 0.00 -0.10 0.00 -1.93 0.00 0.00 57.85 55.82 3jvo n ARG 42 Cb 0.12 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.39 3jvo n ARG 42 CO 0.00 0.00 0.00 2.35 -1.93 0.00 0.00 177.63 178.05 3jvo h TRP 43 N 0.00 0.27 -0.13 -1.55 7.01 -1.52 -3.11 115.95 116.92 3jvo h TRP 43 Ca 0.00 0.01 -0.20 0.00 2.11 0.00 0.00 58.89 60.81 3jvo h TRP 43 Cb 0.00 -0.09 0.00 0.00 -2.10 0.00 0.00 29.16 26.97 3jvo h TRP 43 CO 0.00 0.17 -0.72 0.00 -2.79 0.00 0.00 178.44 175.10 3jvo n ASP 45 N -3.90 -3.57 -4.04 0.00 2.03 -1.18 -4.48 116.55 101.41 3jvo n ASP 45 Ca -0.06 -0.99 -0.34 0.00 0.52 0.00 0.00 54.79 53.92 3jvo n ASP 45 Cb 0.71 -3.38 -0.09 0.00 -0.72 0.00 0.00 41.12 37.64 3jvo n ASP 45 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 3jvo s GLU 46 N -6.12 2.78 0.00 -0.67 2.56 -1.26 -4.93 118.70 111.06 3jvo s GLU 46 Ca 0.30 -3.03 0.18 0.00 0.00 0.00 0.00 54.97 52.42 3jvo s GLU 46 Cb -0.11 -3.72 0.95 0.00 2.00 0.00 0.00 34.13 33.26 3jvo s GLU 46 CO 0.86 -1.23 1.52 -0.35 -0.56 0.00 0.00 175.26 175.50 3jvo n PRO 47 N 2.63 0.34 0.10 4.30 -0.04 -1.26 -1.81 135.00 139.26 3jvo n PRO 47 Ca 0.16 0.09 0.12 0.00 -0.04 0.00 0.00 63.50 63.82 3jvo n PRO 47 Cb 0.36 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 32.78 3jvo n PRO 47 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3jvo n ALA 48 N -1.20 1.84 -2.58 0.55 0.00 -1.26 -4.53 120.51 113.33 3jvo n ALA 48 Ca 0.10 0.03 -0.43 0.00 0.00 0.00 0.00 53.44 53.14 3jvo n ALA 48 Cb 0.12 -1.39 -0.03 0.00 0.00 0.00 0.00 19.45 18.15 3jvo n ALA 48 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3jvo s TRP 49 N -3.20 2.88 -0.12 0.00 0.51 -0.75 -4.86 118.94 113.40 3jvo s TRP 49 Ca 0.07 0.50 0.10 0.00 -2.12 0.00 0.00 56.10 54.66 3jvo s TRP 49 Cb 0.11 -4.14 -0.15 0.00 -0.81 0.00 0.00 33.47 28.48 3jvo s TRP 49 CO 0.43 -1.16 0.03 1.63 -0.51 0.00 0.00 176.95 177.37 3jvo n LYS 50 N 7.41 1.93 -4.40 4.98 4.76 -1.26 -5.03 118.16 126.55 3jvo n LYS 50 Ca 0.08 -0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.32 3jvo n LYS 50 Cb 0.49 -1.31 -0.10 0.00 -1.84 0.00 0.00 35.03 32.26 3jvo n LYS 50 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3jvo s VAL 51 N -2.30 1.72 0.27 -0.18 -7.23 -1.26 -4.78 120.40 106.64 3jvo s VAL 51 Ca -0.07 -2.17 0.00 0.00 -1.81 0.00 0.00 61.98 57.94 3jvo s VAL 51 Cb 0.04 -2.30 0.27 0.00 0.56 0.00 0.00 36.38 34.95 3jvo s VAL 51 CO 0.50 -0.41 1.69 0.00 -0.31 0.00 0.00 175.10 176.57 3jvo h ALA 52 N 2.38 1.25 0.00 1.32 0.00 -1.94 -0.54 119.26 121.72 3jvo h ALA 52 Ca -0.39 0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3jvo h ALA 52 Cb 1.23 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.21 3jvo h ALA 52 CO 0.65 -0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.56 3jvo n ALA 53 N -2.58 2.02 0.15 0.00 0.00 -1.26 -2.73 120.51 116.11 3jvo n ALA 53 Ca 0.19 -0.09 0.04 0.00 0.00 0.00 0.00 53.44 53.58 3jvo n ALA 53 Cb 0.58 -1.31 0.05 0.00 0.00 0.00 0.00 19.45 18.77 3jvo n ALA 53 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3jvo h ASP 54 N 0.00 0.00 -2.80 0.00 3.32 -1.50 -3.46 116.42 111.98 3jvo h ASP 54 Ca 0.00 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.50 3jvo h ASP 54 Cb 0.18 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 3jvo h ASP 54 CO 0.00 0.44 0.95 -0.63 -1.72 0.00 0.00 179.24 178.28 3jvo s ILE 55 N -3.00 3.90 0.54 0.35 -1.09 -1.11 -4.93 121.20 115.87 3jvo s ILE 55 Ca 0.04 1.14 -0.19 0.00 -2.23 0.00 0.00 60.65 59.41 3jvo s ILE 55 Cb 0.07 -3.73 -0.06 0.00 -1.58 0.00 0.00 42.46 37.16 3jvo s ILE 55 CO 0.73 -0.08 1.11 -2.84 -1.23 0.00 0.00 174.94 172.64 3jvo s PRO 56 N 3.43 3.39 0.32 2.79 0.02 -1.26 -4.85 135.00 138.84 3jvo s PRO 56 Ca 0.64 1.55 0.01 0.00 0.02 0.00 0.00 61.00 63.22 3jvo s PRO 56 Cb -0.28 -2.02 0.53 0.00 0.02 0.00 0.00 34.50 32.76 3jvo s PRO 56 CO 0.23 -0.81 1.90 0.00 -0.33 0.00 0.00 177.00 177.98 3jvo h ALA 57 N 1.16 1.36 -0.58 -1.55 0.00 -1.99 -0.69 119.26 116.97 3jvo h ALA 57 Ca -0.50 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.23 3jvo h ALA 57 Cb 1.25 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 3jvo h ALA 57 CO 0.57 0.47 0.24 0.00 0.00 0.00 0.00 179.25 180.53 3jvo h ALA 58 N 1.47 1.33 -0.41 0.00 0.00 -2.00 -0.39 119.26 119.26 3jvo h ALA 58 Ca 0.17 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 3jvo h ALA 58 Cb 0.19 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3jvo h ALA 58 CO -0.01 0.50 -0.21 0.28 0.00 0.00 0.00 179.25 179.82 3jvo h VAL 59 N 0.83 1.28 -0.90 0.00 2.07 -1.54 -2.48 116.25 115.51 3jvo h VAL 59 Ca 0.20 -1.35 0.09 0.00 0.82 0.00 0.00 66.70 66.46 3jvo h VAL 59 Cb 0.15 1.26 -0.07 0.00 -1.52 0.00 0.00 31.29 31.11 3jvo h VAL 59 CO -0.02 0.45 0.55 0.11 0.02 0.00 0.00 177.57 178.68 3jvo h LYS 60 N 0.69 0.90 -0.45 1.57 1.57 -0.60 -1.33 116.57 118.92 3jvo h LYS 60 Ca 0.09 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3jvo h LYS 60 Cb 0.77 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 3jvo h LYS 60 CO 0.06 0.60 0.28 0.78 -0.57 0.00 0.00 179.45 180.60 3jvo h GLY 61 N 0.93 0.64 1.01 3.86 0.00 -0.91 -1.68 103.07 106.92 3jvo h GLY 61 Ca 0.43 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.51 3jvo h GLY 61 CO -0.23 0.24 0.59 0.00 0.00 0.00 0.00 176.54 177.14 3jvo h ALA 62 N 1.14 1.19 -0.50 3.60 0.00 -0.97 -2.13 119.26 121.59 3jvo h ALA 62 Ca 0.16 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3jvo h ALA 62 Cb -0.04 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.35 3jvo h ALA 62 CO -0.03 0.61 0.26 0.28 0.00 0.00 0.00 179.25 180.37 3jvo h VAL 63 N 1.28 1.18 -0.73 0.00 2.07 -0.80 -0.61 116.25 118.64 3jvo h VAL 63 Ca 0.34 -0.50 0.04 0.00 0.82 0.00 0.00 66.70 67.40 3jvo h VAL 63 Cb -0.10 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 30.21 3jvo h VAL 63 CO -0.07 0.20 0.45 -0.07 0.02 0.00 0.00 177.57 178.10 3jvo h LEU 64 N 0.67 0.72 -0.55 2.57 3.38 -1.09 0.18 115.31 121.20 3jvo h LEU 64 Ca 0.17 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 3jvo h LEU 64 Cb 0.09 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3jvo h LEU 64 CO -0.02 0.49 0.13 -0.07 0.09 0.00 0.00 178.44 179.06 3jvo h LEU 65 N 0.86 0.83 -0.23 1.67 3.38 -0.86 -1.26 115.31 119.70 3jvo h LEU 65 Ca 0.30 -0.23 -0.18 0.00 0.09 0.00 0.00 57.88 57.85 3jvo h LEU 65 Cb 0.06 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.60 3jvo h LEU 65 CO -0.13 0.85 -0.57 0.58 0.09 0.00 0.00 178.44 179.26 3jvo h VAL 66 N 0.77 1.29 0.14 1.22 2.07 -0.86 -2.33 116.25 118.57 3jvo h VAL 66 Ca 0.17 -1.77 0.02 0.00 0.82 0.00 0.00 66.70 65.94 3jvo h VAL 66 Cb 0.34 1.79 -0.04 0.00 -1.52 0.00 0.00 31.29 31.87 3jvo h VAL 66 CO 0.00 0.57 -0.33 0.15 0.02 0.00 0.00 177.57 177.98 3jvo h PHE 67 N 0.53 -0.89 -0.73 1.57 3.57 -0.92 -3.10 116.94 116.98 3jvo h PHE 67 Ca -0.01 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 3jvo h PHE 67 Cb 1.18 0.37 -0.04 0.00 2.79 0.00 0.00 35.95 40.26 3jvo h PHE 67 CO 0.08 -0.44 0.41 0.00 -2.23 0.00 0.00 178.31 176.14 3jvo h ALA 68 N 0.06 1.35 0.00 2.41 0.00 -1.16 -2.17 119.26 119.75 3jvo h ALA 68 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3jvo h ALA 68 Cb 0.58 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3jvo h ALA 68 CO -0.18 0.54 0.00 -3.47 0.00 0.00 0.00 179.25 176.15 3jvo n ASP 69 N -4.37 0.00 0.00 0.00 2.03 -0.88 -1.27 116.55 112.06 3jvo n ASP 69 Ca 0.07 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.38 3jvo n ASP 69 Cb 0.09 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 3jvo n ASP 69 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 3jvo n PHE 71 N 0.60 0.00 -0.01 -0.67 7.35 -0.82 -0.44 117.46 123.47 3jvo n PHE 71 Ca 0.00 0.00 -0.05 0.00 -0.76 0.00 0.00 57.45 56.64 3jvo n PHE 71 Cb 0.00 0.00 -0.12 0.00 0.35 0.00 0.00 39.48 39.71 3jvo n PHE 71 CO 0.00 0.00 0.00 0.39 -0.76 0.00 0.00 176.76 176.39 3jvo n GLU 72 N 0.00 0.63 -3.86 -4.13 -0.58 -0.40 -4.71 120.64 107.60 3jvo n GLU 72 Ca 0.00 0.25 -0.30 0.00 -0.42 0.00 0.00 57.16 56.69 3jvo n GLU 72 Cb 0.00 -1.78 -0.15 0.00 -0.57 0.00 0.00 31.44 28.94 3jvo n GLU 72 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 3jvo s HIS 73 N -2.71 2.63 -1.49 -0.32 3.76 0.41 -4.98 115.29 112.59 3jvo s HIS 73 Ca -0.04 -2.39 0.23 0.00 -0.15 0.00 0.00 55.06 52.70 3jvo s HIS 73 Cb 0.08 -2.28 0.11 0.00 1.11 0.00 0.00 32.58 31.61 3jvo s HIS 73 CO 0.82 -0.89 1.15 0.54 -0.85 0.00 0.00 174.74 175.51 3jvo n ARG 74 N 4.38 0.57 -4.50 1.40 1.74 -1.26 -4.93 116.66 114.06 3jvo n ARG 74 Ca 0.02 -0.44 -0.30 0.00 -0.77 0.00 0.00 57.85 56.36 3jvo n ARG 74 Cb 0.41 -1.49 -0.12 0.00 -1.02 0.00 0.00 32.46 30.24 3jvo n ARG 74 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3jvo s THR 75 N -2.73 2.95 0.28 0.55 -4.23 -1.26 -5.01 115.64 106.18 3jvo s THR 75 Ca 0.15 -1.24 0.36 0.00 -1.18 0.00 0.00 61.69 59.78 3jvo s THR 75 Cb 0.17 -2.29 0.40 0.00 1.34 0.00 0.00 72.50 72.12 3jvo s THR 75 CO 0.68 0.25 2.10 0.00 -0.54 0.00 0.00 174.62 177.12 3jvo h ALA 76 N 4.22 1.01 -4.16 3.99 0.00 -2.06 -3.40 119.26 118.85 3jvo h ALA 76 Ca -0.48 -0.01 -0.47 0.00 0.00 0.00 0.00 54.91 53.95 3jvo h ALA 76 Cb 1.16 -0.00 -0.29 0.00 0.00 0.00 0.00 17.79 18.66 3jvo h ALA 76 CO 0.48 0.01 -0.81 -0.65 0.00 0.00 0.00 179.25 178.29 3jvo s GLN 77 N -3.83 1.07 0.25 0.00 -0.21 -1.26 -5.16 119.66 110.52 3jvo s GLN 77 Ca -0.01 -0.49 0.10 0.00 0.02 0.00 0.00 55.36 54.98 3jvo s GLN 77 Cb 0.10 -1.04 -0.05 0.00 1.00 0.00 0.00 33.01 33.03 3jvo s GLN 77 CO 0.51 0.28 -0.17 -1.54 -2.12 0.00 0.00 175.29 172.26 3jvo s SER 78 N -0.35 3.09 0.29 5.90 1.04 -1.26 -5.03 113.70 117.38 3jvo s SER 78 Ca 0.05 -1.04 0.22 0.00 0.48 0.00 0.00 55.95 55.66 3jvo s SER 78 Cb -0.05 -0.22 0.12 0.00 0.10 0.00 0.00 66.02 65.97 3jvo s SER 78 CO -0.00 -0.08 1.27 -0.33 0.98 0.00 0.00 173.24 175.07 3jvo h GLU 79 N 2.40 0.00 -5.57 4.02 5.08 -2.01 -3.44 114.58 115.06 3jvo h GLU 79 Ca -0.39 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.32 3jvo h GLU 79 Cb 1.24 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.36 3jvo h GLU 79 CO 0.62 0.04 -0.55 0.14 -1.00 0.00 0.00 179.01 178.25 3jvo s VAL 80 N -3.26 4.91 0.26 3.13 -7.23 -1.26 -5.08 120.40 111.87 3jvo s VAL 80 Ca 0.02 -0.01 -0.30 0.00 -1.81 0.00 0.00 61.98 59.89 3jvo s VAL 80 Cb 0.08 -3.15 -0.11 0.00 0.56 0.00 0.00 36.38 33.76 3jvo s VAL 80 CO 0.74 0.54 1.53 -1.58 -0.31 0.00 0.00 175.10 176.03 3jvo s GLN 81 N -0.37 4.19 -0.10 4.82 2.00 -1.26 -5.01 119.66 123.93 3jvo s GLN 81 Ca 0.09 2.44 -0.05 0.00 -2.00 0.00 0.00 55.36 55.84 3jvo s GLN 81 Cb -0.12 -3.07 -0.04 0.00 0.80 0.00 0.00 33.01 30.58 3jvo s GLN 81 CO 0.02 -0.54 0.11 -0.51 -0.50 0.00 0.00 175.29 173.87 3jvo s LEU 82 N -0.25 4.20 -0.04 3.68 1.43 -1.26 -5.11 118.68 121.33 3jvo s LEU 82 Ca 0.62 0.38 0.05 0.00 -1.03 0.00 0.00 54.13 54.16 3jvo s LEU 82 Cb -0.45 -2.06 -0.02 0.00 0.03 0.00 0.00 46.19 43.69 3jvo s LEU 82 CO 0.44 0.39 -0.17 -0.31 0.23 0.00 0.00 176.35 176.93 3jvo s TYR 83 N -1.02 2.62 0.11 0.29 2.02 -1.26 -5.09 117.35 115.01 3jvo s TYR 83 Ca 0.16 -0.22 -0.31 0.00 -0.37 0.00 0.00 57.07 56.32 3jvo s TYR 83 Cb -0.12 -1.60 -0.08 0.00 -0.40 0.00 0.00 41.96 39.77 3jvo s TYR 83 CO 0.05 0.14 1.37 -2.00 -1.57 0.00 0.00 175.55 173.54 3jvo s GLU 84 N -0.72 4.33 -0.50 -0.62 2.12 -1.26 -4.96 118.70 117.09 3jvo s GLU 84 Ca 0.11 2.05 -0.26 0.00 0.36 0.00 0.00 54.97 57.24 3jvo s GLU 84 Cb -0.10 -3.25 0.03 0.00 0.26 0.00 0.00 34.13 31.06 3jvo s GLU 84 CO 0.00 -0.42 0.98 1.21 -0.54 0.00 0.00 175.26 176.49 3jvo s ASN 85 N 1.07 6.47 0.57 -1.70 3.84 -1.26 -4.93 114.94 119.00 3jvo s ASN 85 Ca 0.64 0.04 0.28 0.00 0.21 0.00 0.00 52.86 54.03 3jvo s ASN 85 Cb -0.36 -2.47 1.49 0.00 -0.55 0.00 0.00 41.25 39.36 3jvo s ASN 85 CO 0.30 -1.16 1.95 0.00 -2.79 0.00 0.00 177.10 175.41 3jvo h ALA 86 N 9.20 2.27 -0.54 1.71 0.00 -2.03 -2.67 119.26 127.20 3jvo h ALA 86 Ca -0.25 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.73 3jvo h ALA 86 Cb 1.07 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 3jvo h ALA 86 CO 1.07 -0.68 0.36 0.00 0.00 0.00 0.00 179.25 180.01 3jvo h ALA 87 N 1.58 1.97 0.53 0.00 0.00 -1.99 -2.59 119.26 118.76 3jvo h ALA 87 Ca 0.23 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 3jvo h ALA 87 Cb 1.09 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.79 3jvo h ALA 87 CO -0.00 -0.07 -0.25 0.00 0.00 0.00 0.00 179.25 178.92 3jvo h ALA 88 N 1.72 -0.71 -0.57 0.00 0.00 -1.86 -3.20 119.26 114.63 3jvo h ALA 88 Ca 0.24 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3jvo h ALA 88 Cb 0.42 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3jvo h ALA 88 CO -0.06 -0.87 0.19 0.93 0.00 0.00 0.00 179.25 179.44 3jvo h GLU 89 N -0.77 0.88 -4.90 0.00 5.08 -1.75 -3.43 114.58 109.70 3jvo h GLU 89 Ca -0.07 -0.18 -0.55 0.00 -1.00 0.00 0.00 59.36 57.55 3jvo h GLU 89 Cb 0.57 -0.13 0.11 0.00 0.50 0.00 0.00 28.75 29.80 3jvo h GLU 89 CO 0.12 0.79 1.48 0.54 -1.00 0.00 0.00 179.01 180.93 3jvo n ARG 90 N -4.44 0.40 0.00 2.33 1.74 -0.99 -4.54 116.66 111.16 3jvo n ARG 90 Ca 0.03 -1.29 0.00 0.00 -0.77 0.00 0.00 57.85 55.82 3jvo n ARG 90 Cb 0.19 -2.74 0.00 0.00 -1.02 0.00 0.00 32.46 28.89 3jvo n ARG 90 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3jvo n PHE 93 N 9.63 0.00 0.67 -1.55 7.35 -1.26 -4.83 117.46 127.46 3jvo n PHE 93 Ca 0.47 0.00 0.07 0.00 -0.76 0.00 0.00 57.45 57.23 3jvo n PHE 93 Cb 0.42 0.00 0.36 0.00 0.35 0.00 0.00 39.48 40.62 3jvo n PHE 93 CO 0.00 0.00 0.00 1.51 -0.76 0.00 0.00 176.76 177.51 3jvo n ILE 94 N 0.00 0.66 -2.17 -2.13 0.13 -1.26 -2.79 119.36 111.80 3jvo n ILE 94 Ca 0.00 0.17 0.04 0.00 -1.10 0.00 0.00 62.75 61.86 3jvo n ILE 94 Cb 0.00 -0.92 0.06 0.00 -0.84 0.00 0.00 39.64 37.94 3jvo n ILE 94 CO 0.00 0.00 0.00 1.41 2.80 0.00 0.00 176.55 180.76 3jvo n HIS 95 N -1.33 0.00 1.43 9.51 8.25 -1.26 -5.15 115.22 126.67 3jvo n HIS 95 Ca 0.06 -0.63 0.11 0.00 -0.26 0.00 0.00 57.72 57.01 3jvo n HIS 95 Cb 0.13 -0.15 0.68 0.00 1.12 0.00 0.00 29.99 31.77 3jvo n HIS 95 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85