#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 4.82 -0.25 0.00 1.01 -1.26 -5.05 121.20 120.47 3jvo s ILE 3 Ca 0.00 1.21 -0.25 0.00 0.00 0.00 0.00 60.65 61.61 3jvo s ILE 3 Cb 0.00 -3.90 -0.00 0.00 0.01 0.00 0.00 42.46 38.57 3jvo s ILE 3 CO 0.00 0.50 0.85 -0.62 0.00 0.00 0.00 174.94 175.67 3jvo s ASP 4 N -0.73 6.84 0.49 3.58 -1.08 -1.26 -4.95 116.67 119.56 3jvo s ASP 4 Ca 0.29 1.01 0.25 0.00 -0.52 0.00 0.00 52.55 53.59 3jvo s ASP 4 Cb -0.19 -2.44 1.31 0.00 -1.46 0.00 0.00 42.92 40.14 3jvo s ASP 4 CO 0.18 -0.56 1.90 1.62 0.52 0.00 0.00 175.17 178.84 3jvo h VAL 5 N 5.47 0.64 0.00 1.11 3.04 -1.93 -0.32 116.25 124.26 3jvo h VAL 5 Ca -0.23 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.41 3jvo h VAL 5 Cb 1.09 0.48 0.00 0.00 -2.01 0.00 0.00 31.29 30.85 3jvo h VAL 5 CO 0.89 0.03 0.00 0.18 -1.01 0.00 0.00 177.57 177.66 3jvo n LEU 6 N -4.38 0.43 0.09 3.16 4.77 -1.25 -0.79 117.00 119.03 3jvo n LEU 6 Ca 0.17 0.59 0.12 0.00 -0.03 0.00 0.00 56.01 56.86 3jvo n LEU 6 Cb 0.78 -0.52 0.11 0.00 -2.33 0.00 0.00 43.42 41.46 3jvo n LEU 6 CO 0.35 -0.39 0.27 0.44 -1.33 0.00 0.00 177.39 176.74 3jvo h ASP 7 N 0.00 0.00 0.03 -1.43 3.32 -1.46 -3.31 116.42 113.57 3jvo h ASP 7 Ca 0.00 -0.12 -0.24 0.00 0.02 0.00 0.00 57.03 56.69 3jvo h ASP 7 Cb 0.38 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.90 3jvo h ASP 7 CO 0.00 0.06 -1.29 0.58 -1.72 0.00 0.00 179.24 176.87 3jvo h VAL 8 N 0.00 0.95 -3.29 -1.35 2.07 -1.21 -3.46 116.25 109.96 3jvo h VAL 8 Ca 0.00 -2.24 -0.41 0.00 0.82 0.00 0.00 66.70 64.87 3jvo h VAL 8 Cb 0.85 2.40 -0.38 0.00 -1.52 0.00 0.00 31.29 32.64 3jvo h VAL 8 CO 0.00 0.46 -0.76 -0.63 0.02 0.00 0.00 177.57 176.66 3jvo s ILE 9 N -2.39 0.24 0.75 4.57 1.01 0.03 -5.08 121.20 120.33 3jvo s ILE 9 Ca -0.26 0.20 -0.13 0.00 0.00 0.00 0.00 60.65 60.45 3jvo s ILE 9 Cb 0.05 -0.41 0.05 0.00 0.01 0.00 0.00 42.46 42.16 3jvo s ILE 9 CO 0.64 0.23 1.15 -0.94 0.00 0.00 0.00 174.94 176.02 3jvo s SER 10 N 1.92 4.25 0.40 3.58 1.04 -1.24 -3.92 113.70 119.73 3jvo s SER 10 Ca 0.03 2.14 0.07 0.00 0.48 0.00 0.00 55.95 58.67 3jvo s SER 10 Cb -0.12 -2.56 0.84 0.00 0.10 0.00 0.00 66.02 64.28 3jvo s SER 10 CO -0.04 -2.22 2.04 0.25 0.98 0.00 0.00 173.24 174.25 3jvo h LEU 11 N -0.66 0.46 -1.07 2.42 5.85 -1.94 -1.91 115.31 118.46 3jvo h LEU 11 Ca -0.46 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.18 3jvo h LEU 11 Cb 1.27 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 3jvo h LEU 11 CO 0.50 0.36 0.01 -1.28 -0.34 0.00 0.00 178.44 177.68 3jvo h SER 12 N 0.53 0.63 0.33 1.25 0.87 -1.98 -1.70 113.55 113.49 3jvo h SER 12 Ca 0.14 -0.13 -0.15 0.00 -1.23 0.00 0.00 61.79 60.41 3jvo h SER 12 Cb -0.02 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.77 3jvo h SER 12 CO -0.03 0.69 -0.63 -0.07 -0.53 0.00 0.00 176.83 176.27 3jvo h LEU 13 N 0.63 0.33 -0.61 2.23 3.38 -1.72 -2.45 115.31 117.10 3jvo h LEU 13 Ca 0.13 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 3jvo h LEU 13 Cb 0.38 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 3jvo h LEU 13 CO 0.01 0.87 0.20 -0.26 0.09 0.00 0.00 178.44 179.36 3jvo h PHE 14 N 0.21 0.97 -0.59 1.13 0.04 -1.02 -1.80 116.94 115.87 3jvo h PHE 14 Ca -0.01 -0.09 -0.04 0.00 2.80 0.00 0.00 57.97 60.63 3jvo h PHE 14 Cb 1.15 -0.28 -0.03 0.00 2.20 0.00 0.00 35.95 38.99 3jvo h PHE 14 CO 0.03 0.79 0.22 0.87 -0.60 0.00 0.00 178.31 179.62 3jvo h LYS 15 N 0.86 0.89 -0.42 1.51 1.57 -1.23 -2.57 116.57 117.19 3jvo h LYS 15 Ca 0.20 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3jvo h LYS 15 Cb 0.27 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 3jvo h LYS 15 CO -0.01 0.78 0.18 1.96 -0.57 0.00 0.00 179.45 181.79 3jvo h GLN 16 N 0.82 0.60 -0.66 3.15 4.20 -1.30 0.41 115.11 122.32 3jvo h GLN 16 Ca 0.19 -0.07 0.09 0.00 0.06 0.00 0.00 58.65 58.92 3jvo h GLN 16 Cb 0.23 -0.11 -0.07 0.00 0.30 0.00 0.00 27.48 27.83 3jvo h GLN 16 CO -0.01 0.49 0.32 0.37 -0.67 0.00 0.00 178.83 179.32 3jvo h GLN 17 N 0.60 0.53 -0.74 1.46 5.75 -0.91 -1.85 115.11 119.95 3jvo h GLN 17 Ca 0.15 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.62 3jvo h GLN 17 Cb 0.11 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 28.54 3jvo h GLN 17 CO -0.02 0.35 0.00 0.44 -2.65 0.00 0.00 178.83 176.96 3jvo n ILE 18 N -4.89 0.98 -3.98 2.39 -5.35 -1.06 -4.94 119.36 102.51 3jvo n ILE 18 Ca 0.10 -0.99 -0.31 0.00 -0.27 0.00 0.00 62.75 61.27 3jvo n ILE 18 Cb 0.25 0.51 0.02 0.00 -1.74 0.00 0.00 39.64 38.68 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 1.68 -5.04 -3.44 6.28 1.02 -0.34 -4.91 120.64 115.88 3jvo n GLU 19 Ca 0.25 0.55 -0.43 0.00 -0.02 0.00 0.00 57.16 57.51 3jvo n GLU 19 Cb 0.63 -5.40 -0.09 0.00 -0.02 0.00 0.00 31.44 26.55 3jvo n GLU 19 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 3jvo s PHE 20 N -3.31 3.24 0.08 -0.32 5.36 -0.01 -4.98 117.98 118.04 3jvo s PHE 20 Ca 0.67 -0.71 -0.11 0.00 -0.96 0.00 0.00 56.93 55.83 3jvo s PHE 20 Cb -0.34 -2.77 -0.24 0.00 -0.34 0.00 0.00 43.02 39.33 3jvo s PHE 20 CO 0.85 -0.66 1.16 0.93 -1.46 0.00 0.00 175.22 176.05 3jvo h GLU 21 N 8.67 0.53 -7.59 10.12 5.08 -1.91 -3.42 114.58 126.06 3jvo h GLU 21 Ca -0.27 -0.69 -0.47 0.00 -1.00 0.00 0.00 59.36 56.93 3jvo h GLU 21 Cb 1.12 0.22 0.11 0.00 0.50 0.00 0.00 28.75 30.70 3jvo h GLU 21 CO 0.78 1.29 0.39 -1.83 -1.00 0.00 0.00 179.01 178.63 3jvo s GLU 22 N -3.03 1.81 0.00 2.33 1.03 -1.26 -5.01 118.70 114.57 3jvo s GLU 22 Ca -0.08 0.16 0.06 0.00 0.03 0.00 0.00 54.97 55.15 3jvo s GLU 22 Cb 0.07 -1.93 0.03 0.00 -0.80 0.00 0.00 34.13 31.50 3jvo s GLU 22 CO 0.91 -1.71 0.63 -0.25 -1.33 0.00 0.00 175.26 173.51 3jvo n ASP 23 N -3.41 1.33 -0.50 0.83 8.00 -1.26 -4.64 116.55 116.91 3jvo n ASP 23 Ca 0.08 -1.17 0.05 0.00 0.71 0.00 0.00 54.79 54.46 3jvo n ASP 23 Cb 0.60 0.16 0.17 0.00 -0.02 0.00 0.00 41.12 42.03 3jvo n ASP 23 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3jvo n ASP 24 N 0.12 1.44 -0.50 -2.24 5.75 -1.26 -3.70 116.55 116.17 3jvo n ASP 24 Ca 0.03 -1.95 0.06 0.00 -0.01 0.00 0.00 54.79 52.93 3jvo n ASP 24 Cb 0.15 -0.17 0.11 0.00 -1.03 0.00 0.00 41.12 40.18 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 0.27 0.88 -0.21 0.11 5.12 -1.26 -4.85 116.66 116.72 3jvo n ARG 25 Ca 0.10 -2.31 -0.02 0.00 -1.93 0.00 0.00 57.85 53.69 3jvo n ARG 25 Cb 0.24 -1.09 0.18 0.00 -1.16 0.00 0.00 32.46 30.63 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 0.38 0.90 0.03 0.55 3.32 -1.90 -0.90 116.42 118.80 3jvo h ASP 26 Ca -0.03 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 56.93 3jvo h ASP 26 Cb 1.22 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.54 3jvo h ASP 26 CO 0.01 0.75 -0.02 -0.33 -1.72 0.00 0.00 179.24 177.94 3jvo h GLU 27 N 1.00 -0.04 -0.14 3.56 3.07 -1.91 0.17 114.58 120.29 3jvo h GLU 27 Ca 0.25 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 59.14 3jvo h GLU 27 Cb 0.08 0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 27.98 3jvo h GLU 27 CO -0.03 0.28 -0.03 1.25 -1.40 0.00 0.00 179.01 179.08 3jvo h LEU 28 N -0.37 -0.12 -0.74 1.33 5.85 -1.91 -1.43 115.31 117.92 3jvo h LEU 28 Ca -0.00 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.80 3jvo h LEU 28 Cb 0.35 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.41 3jvo h LEU 28 CO 0.01 -0.04 0.45 0.40 -0.34 0.00 0.00 178.44 178.91 3jvo h ILE 29 N 0.00 1.04 -0.81 4.05 2.04 -1.15 -1.05 117.51 121.63 3jvo h ILE 29 Ca 0.06 -0.29 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 3jvo h ILE 29 Cb 0.10 0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 36.26 3jvo h ILE 29 CO -0.14 0.15 0.50 0.74 0.00 0.00 0.00 178.15 179.40 3jvo h THR 30 N 0.84 1.23 -0.28 -0.27 2.02 -0.76 -1.03 112.91 114.65 3jvo h THR 30 Ca 0.32 -0.48 0.01 0.00 0.77 0.00 0.00 66.41 67.02 3jvo h THR 30 Cb 0.12 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 66.59 3jvo h THR 30 CO -0.15 0.23 0.18 0.25 0.37 0.00 0.00 175.52 176.40 3jvo h LEU 31 N 1.11 0.30 -0.71 2.58 5.85 -0.64 0.92 115.31 124.72 3jvo h LEU 31 Ca 0.29 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 59.04 3jvo h LEU 31 Cb -0.05 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 40.86 3jvo h LEU 31 CO -0.06 0.22 0.45 1.88 -0.34 0.00 0.00 178.44 180.59 3jvo h TYR 32 N 0.36 0.84 -0.18 1.25 0.05 -0.88 -0.76 116.97 117.65 3jvo h TYR 32 Ca 0.11 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.91 3jvo h TYR 32 Cb -0.02 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 37.43 3jvo h TYR 32 CO -0.07 0.48 0.10 0.00 -1.05 0.00 0.00 178.16 177.62 3jvo h ALA 33 N 1.31 0.23 -0.64 3.88 0.00 -0.86 0.34 119.26 123.52 3jvo h ALA 33 Ca 0.29 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.18 3jvo h ALA 33 Cb 0.03 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 3jvo h ALA 33 CO -0.11 -0.25 0.39 1.96 0.00 0.00 0.00 179.25 181.24 3jvo h GLN 34 N 0.19 0.75 -0.30 0.00 4.20 -0.65 -1.10 115.11 118.21 3jvo h GLN 34 Ca 0.06 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 3jvo h GLN 34 Cb 0.05 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 3jvo h GLN 34 CO -0.01 0.50 0.13 0.00 -0.67 0.00 0.00 178.83 178.78 3jvo h ALA 35 N 1.28 0.38 -0.45 3.87 0.00 -0.93 -0.73 119.26 122.68 3jvo h ALA 35 Ca 0.26 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3jvo h ALA 35 Cb 0.02 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3jvo h ALA 35 CO -0.10 -0.03 0.23 0.00 0.00 0.00 0.00 179.25 179.34 3jvo h ALA 36 N 0.98 0.57 -0.11 0.00 0.00 -0.80 0.43 119.26 120.33 3jvo h ALA 36 Ca 0.10 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3jvo h ALA 36 Cb 0.15 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3jvo h ALA 36 CO -0.01 0.12 0.06 0.35 0.00 0.00 0.00 179.25 179.77 3jvo h PHE 37 N 0.58 0.16 -0.29 0.00 3.57 -1.18 -0.90 116.94 118.87 3jvo h PHE 37 Ca 0.15 -0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.71 3jvo h PHE 37 Cb 0.09 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 38.72 3jvo h PHE 37 CO -0.01 0.19 -0.13 0.22 -2.23 0.00 0.00 178.31 176.35 3jvo h ASP 38 N 0.08 -0.44 0.01 0.41 3.58 -1.01 -2.83 116.42 116.22 3jvo h ASP 38 Ca 0.04 0.11 0.03 0.00 0.42 0.00 0.00 57.03 57.63 3jvo h ASP 38 Cb 0.08 0.25 -0.05 0.00 1.72 0.00 0.00 39.33 41.33 3jvo h ASP 38 CO -0.01 -0.16 -0.33 0.22 -2.88 0.00 0.00 179.24 176.08 3jvo h TYR 39 N -0.08 -0.91 0.00 0.28 3.20 -0.75 -1.82 116.97 116.88 3jvo h TYR 39 Ca 0.15 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.05 3jvo h TYR 39 Cb 0.31 0.40 0.00 0.00 1.54 0.00 0.00 36.73 38.98 3jvo h TYR 39 CO -0.33 -0.42 0.00 0.00 -1.64 0.00 0.00 178.16 175.77 3jvo n ARG 42 N 0.78 0.00 -0.23 0.00 5.12 -0.69 -1.56 116.66 120.08 3jvo n ARG 42 Ca 0.00 0.00 -0.07 0.00 -1.93 0.00 0.00 57.85 55.85 3jvo n ARG 42 Cb 0.11 0.00 0.04 0.00 -1.16 0.00 0.00 32.46 31.45 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 0.97 -0.04 -1.55 7.01 -1.58 -2.93 115.95 117.82 3jvo h TRP 43 Ca 0.00 -0.06 -0.21 0.00 2.11 0.00 0.00 58.89 60.73 3jvo h TRP 43 Cb 0.00 -0.29 -0.00 0.00 -2.10 0.00 0.00 29.16 26.77 3jvo h TRP 43 CO 0.00 0.74 -0.84 0.00 -2.79 0.00 0.00 178.44 175.56 3jvo n ASP 45 N -3.80 -4.85 -4.12 0.00 2.03 -1.11 -1.26 116.55 103.45 3jvo n ASP 45 Ca -0.06 -1.03 -0.36 0.00 0.52 0.00 0.00 54.79 53.86 3jvo n ASP 45 Cb 0.77 -2.08 -0.12 0.00 -0.72 0.00 0.00 41.12 38.98 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 -5.79 2.00 0.51 -0.67 2.56 -1.26 -4.24 118.70 111.81 3jvo s GLU 46 Ca 0.22 -1.84 0.24 0.00 0.00 0.00 0.00 54.97 53.59 3jvo s GLU 46 Cb -0.11 -3.58 1.37 0.00 2.00 0.00 0.00 34.13 33.81 3jvo s GLU 46 CO 0.91 -1.07 2.06 -1.00 -0.56 0.00 0.00 175.26 175.60 3jvo h PRO 47 N 8.01 0.00 0.00 4.30 0.13 -2.00 -2.72 132.00 139.72 3jvo h PRO 47 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 3jvo h PRO 47 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 3jvo h PRO 47 CO 0.69 0.13 0.00 0.00 -0.23 0.00 0.00 178.00 178.59 3jvo n ALA 48 N -2.34 1.39 -2.86 -0.56 0.00 -1.26 -4.39 120.51 110.49 3jvo n ALA 48 Ca -0.02 0.13 -0.43 0.00 0.00 0.00 0.00 53.44 53.12 3jvo n ALA 48 Cb 0.23 -1.35 -0.04 0.00 0.00 0.00 0.00 19.45 18.29 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 -3.40 2.72 -0.14 0.00 0.51 -1.03 -4.82 118.94 112.78 3jvo s TRP 49 Ca 0.01 -0.64 0.15 0.00 -2.12 0.00 0.00 56.10 53.50 3jvo s TRP 49 Cb 0.08 -4.30 -0.21 0.00 -0.81 0.00 0.00 33.47 28.23 3jvo s TRP 49 CO 0.30 -1.64 0.11 1.63 -0.51 0.00 0.00 176.95 176.84 3jvo n LYS 50 N 7.61 1.26 -4.29 4.98 5.02 -1.26 -5.00 118.16 126.48 3jvo n LYS 50 Ca -0.00 -0.03 -0.22 0.00 -2.02 0.00 0.00 58.31 56.03 3jvo n LYS 50 Cb 0.46 -1.41 -0.12 0.00 -0.02 0.00 0.00 35.03 33.94 3jvo n LYS 50 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3jvo s VAL 51 N -2.51 1.66 0.31 -0.18 1.01 -1.26 -4.72 120.40 114.71 3jvo s VAL 51 Ca -0.08 -1.67 0.07 0.00 0.00 0.00 0.00 61.98 60.30 3jvo s VAL 51 Cb 0.06 -1.61 0.35 0.00 0.00 0.00 0.00 36.38 35.17 3jvo s VAL 51 CO 0.66 -0.20 1.62 0.00 0.00 0.00 0.00 175.10 177.18 3jvo h ALA 52 N 3.75 1.48 0.00 5.51 0.00 -1.93 0.59 119.26 128.66 3jvo h ALA 52 Ca -0.44 0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3jvo h ALA 52 Cb 1.19 0.38 0.00 0.00 0.00 0.00 0.00 17.79 19.36 3jvo h ALA 52 CO 0.45 -0.59 0.00 0.00 0.00 0.00 0.00 179.25 179.10 3jvo h ALA 53 N 1.88 1.00 0.00 0.00 0.00 -1.97 -2.48 119.26 117.70 3jvo h ALA 53 Ca 0.64 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.54 3jvo h ALA 53 Cb 1.41 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 3jvo h ALA 53 CO -0.74 0.00 -0.05 -0.44 0.00 0.00 0.00 179.25 178.02 3jvo h ASP 54 N 0.00 0.00 -2.75 0.00 3.32 -1.28 -3.45 116.42 112.26 3jvo h ASP 54 Ca 0.00 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.49 3jvo h ASP 54 Cb 0.26 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 3jvo h ASP 54 CO 0.00 0.05 1.03 -0.63 -1.72 0.00 0.00 179.24 177.97 3jvo s ILE 55 N -3.53 3.84 0.72 0.35 -1.09 -0.94 -4.94 121.20 115.61 3jvo s ILE 55 Ca 0.03 1.00 -0.14 0.00 -2.23 0.00 0.00 60.65 59.31 3jvo s ILE 55 Cb 0.08 -3.69 0.03 0.00 -1.58 0.00 0.00 42.46 37.30 3jvo s ILE 55 CO 0.59 -0.14 1.13 -2.84 -1.23 0.00 0.00 174.94 172.46 3jvo s PRO 56 N 3.99 2.38 0.35 2.79 0.02 -1.26 -4.85 135.00 138.42 3jvo s PRO 56 Ca 0.67 1.45 0.05 0.00 0.02 0.00 0.00 61.00 63.19 3jvo s PRO 56 Cb -0.28 -1.89 0.65 0.00 0.02 0.00 0.00 34.50 33.00 3jvo s PRO 56 CO 0.24 -1.58 1.89 0.00 -0.33 0.00 0.00 177.00 177.22 3jvo h ALA 57 N -0.43 1.41 -0.21 -1.55 0.00 -1.98 -2.34 119.26 114.16 3jvo h ALA 57 Ca -0.46 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.12 3jvo h ALA 57 Cb 1.26 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3jvo h ALA 57 CO 0.51 0.41 -0.46 0.00 0.00 0.00 0.00 179.25 179.71 3jvo h ALA 58 N 1.54 0.81 -0.69 0.00 0.00 -2.00 -2.01 119.26 116.91 3jvo h ALA 58 Ca 0.10 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 3jvo h ALA 58 Cb 0.32 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3jvo h ALA 58 CO 0.01 0.66 0.16 0.28 0.00 0.00 0.00 179.25 180.36 3jvo h VAL 59 N 0.43 1.26 -0.49 0.00 2.07 -1.84 -2.56 116.25 115.12 3jvo h VAL 59 Ca 0.03 -0.98 -0.00 0.00 0.82 0.00 0.00 66.70 66.57 3jvo h VAL 59 Cb 0.97 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 3jvo h VAL 59 CO 0.09 0.37 0.30 0.11 0.02 0.00 0.00 177.57 178.47 3jvo h LYS 60 N 1.05 0.66 -0.51 1.57 1.57 -1.01 -1.16 116.57 118.73 3jvo h LYS 60 Ca 0.22 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.92 3jvo h LYS 60 Cb 0.38 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 3jvo h LYS 60 CO 0.00 0.46 0.20 0.78 -0.57 0.00 0.00 179.45 180.32 3jvo h GLY 61 N 0.70 0.82 0.96 3.86 0.00 -1.06 -1.95 103.07 106.41 3jvo h GLY 61 Ca 0.18 -0.45 -0.04 0.00 0.00 0.00 0.00 47.33 47.02 3jvo h GLY 61 CO -0.04 0.42 0.13 0.00 0.00 0.00 0.00 176.54 177.06 3jvo h ALA 62 N 1.05 0.62 -0.71 3.60 0.00 -1.01 -2.21 119.26 120.61 3jvo h ALA 62 Ca 0.17 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.94 3jvo h ALA 62 Cb 0.20 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 3jvo h ALA 62 CO -0.01 0.29 0.42 0.28 0.00 0.00 0.00 179.25 180.23 3jvo h VAL 63 N 0.64 1.02 -0.76 0.00 2.07 -0.99 -1.49 116.25 116.73 3jvo h VAL 63 Ca 0.15 -0.27 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 3jvo h VAL 63 Cb 0.29 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.20 3jvo h VAL 63 CO -0.00 0.14 0.31 -0.07 0.02 0.00 0.00 177.57 177.98 3jvo h LEU 64 N 0.79 1.03 -0.12 2.57 3.38 -1.10 -0.58 115.31 121.27 3jvo h LEU 64 Ca 0.30 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 3jvo h LEU 64 Cb 0.13 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 3jvo h LEU 64 CO -0.15 0.90 0.02 -0.07 0.09 0.00 0.00 178.44 179.23 3jvo h LEU 65 N 1.10 0.20 -0.45 1.67 3.38 -0.77 -0.98 115.31 119.44 3jvo h LEU 65 Ca 0.26 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 3jvo h LEU 65 Cb 0.19 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3jvo h LEU 65 CO -0.02 0.42 0.15 0.58 0.09 0.00 0.00 178.44 179.65 3jvo h VAL 66 N -0.03 1.22 0.21 1.22 2.07 -1.21 -1.58 116.25 118.16 3jvo h VAL 66 Ca 0.04 -0.73 -0.00 0.00 0.82 0.00 0.00 66.70 66.83 3jvo h VAL 66 Cb 0.31 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 3jvo h VAL 66 CO 0.00 0.26 -0.15 0.15 0.02 0.00 0.00 177.57 177.85 3jvo h PHE 67 N 0.60 -0.40 -0.63 1.57 3.57 -1.07 -2.45 116.94 118.13 3jvo h PHE 67 Ca 0.15 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.72 3jvo h PHE 67 Cb 0.26 0.15 -0.04 0.00 2.79 0.00 0.00 35.95 39.11 3jvo h PHE 67 CO 0.01 -0.24 0.42 0.00 -2.23 0.00 0.00 178.31 176.27 3jvo h ALA 68 N 0.40 1.83 0.00 2.41 0.00 -1.08 -1.70 119.26 121.11 3jvo h ALA 68 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3jvo h ALA 68 Cb 0.32 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3jvo h ALA 68 CO -0.00 0.06 0.00 -3.47 0.00 0.00 0.00 179.25 175.84 3jvo n ASP 69 N -4.48 0.53 0.00 0.00 2.03 -0.60 -1.45 116.55 112.58 3jvo n ASP 69 Ca 0.09 -0.46 0.00 0.00 0.52 0.00 0.00 54.79 54.94 3jvo n ASP 69 Cb 0.26 -0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.55 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 0.70 0.00 0.05 -0.67 7.35 -0.64 -0.20 117.46 124.05 3jvo n PHE 71 Ca 0.00 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.58 3jvo n PHE 71 Cb 0.09 0.00 -0.13 0.00 0.35 0.00 0.00 39.48 39.79 3jvo n PHE 71 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 3jvo h GLU 72 N 0.00 0.11 -4.66 -4.13 4.39 -1.52 -3.44 114.58 105.32 3jvo h GLU 72 Ca 0.00 -0.19 -0.66 0.00 0.34 0.00 0.00 59.36 58.86 3jvo h GLU 72 Cb 0.00 0.07 -0.39 0.00 -0.10 0.00 0.00 28.75 28.33 3jvo h GLU 72 CO 0.00 0.97 -0.75 -1.01 -1.16 0.00 0.00 179.01 177.05 3jvo s HIS 73 N -2.65 3.39 -0.82 4.33 3.76 0.72 -4.99 115.29 119.03 3jvo s HIS 73 Ca -0.04 -2.63 0.22 0.00 -0.15 0.00 0.00 55.06 52.46 3jvo s HIS 73 Cb 0.08 -2.44 -0.12 0.00 1.11 0.00 0.00 32.58 31.21 3jvo s HIS 73 CO 0.84 -0.91 0.92 0.54 -0.85 0.00 0.00 174.74 175.28 3jvo n ARG 74 N 4.37 0.13 -5.04 1.40 5.12 -1.26 -4.96 116.66 116.42 3jvo n ARG 74 Ca -0.03 -0.03 -0.30 0.00 -1.93 0.00 0.00 57.85 55.56 3jvo n ARG 74 Cb 0.42 -1.52 -0.15 0.00 -1.16 0.00 0.00 32.46 30.05 3jvo n ARG 74 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3jvo s THR 75 N -3.09 2.08 0.52 0.55 -4.23 -1.26 -5.02 115.64 105.19 3jvo s THR 75 Ca 0.06 -1.28 0.38 0.00 -1.18 0.00 0.00 61.69 59.67 3jvo s THR 75 Cb 0.16 -1.76 0.40 0.00 1.34 0.00 0.00 72.50 72.64 3jvo s THR 75 CO 0.85 0.44 2.25 0.00 -0.54 0.00 0.00 174.62 177.61 3jvo h ALA 76 N 5.05 1.11 -3.34 3.99 0.00 -2.06 -3.41 119.26 120.59 3jvo h ALA 76 Ca -0.45 -0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.13 3jvo h ALA 76 Cb 1.13 -0.00 -0.23 0.00 0.00 0.00 0.00 17.79 18.70 3jvo h ALA 76 CO 0.45 0.02 -0.75 -0.65 0.00 0.00 0.00 179.25 178.32 3jvo s GLN 77 N -4.13 0.58 0.15 0.00 -0.21 -1.26 -5.17 119.66 109.61 3jvo s GLN 77 Ca -0.04 -0.70 0.00 0.00 0.02 0.00 0.00 55.36 54.64 3jvo s GLN 77 Cb 0.13 -0.43 -0.04 0.00 1.00 0.00 0.00 33.01 33.67 3jvo s GLN 77 CO 0.48 0.09 0.04 -1.54 -2.12 0.00 0.00 175.29 172.23 3jvo s SER 78 N -1.36 0.66 0.37 5.90 1.04 -1.26 -5.04 113.70 114.01 3jvo s SER 78 Ca -0.06 -1.20 0.20 0.00 0.48 0.00 0.00 55.95 55.37 3jvo s SER 78 Cb -0.09 0.23 0.31 0.00 0.10 0.00 0.00 66.02 66.57 3jvo s SER 78 CO 0.01 -0.67 1.57 1.05 0.98 0.00 0.00 173.24 176.18 3jvo h GLU 79 N 2.80 0.00 -5.45 4.02 9.09 -2.02 -3.43 114.58 119.58 3jvo h GLU 79 Ca -0.36 0.00 -0.64 0.00 0.05 0.00 0.00 59.36 58.42 3jvo h GLU 79 Cb 1.20 0.00 -0.16 0.00 -1.65 0.00 0.00 28.75 28.14 3jvo h GLU 79 CO 0.61 0.25 -0.58 0.14 0.05 0.00 0.00 179.01 179.48 3jvo s VAL 80 N -3.15 4.62 0.31 -1.06 -7.23 -1.26 -5.08 120.40 107.55 3jvo s VAL 80 Ca 0.05 -0.10 -0.30 0.00 -1.81 0.00 0.00 61.98 59.82 3jvo s VAL 80 Cb 0.07 -3.04 -0.11 0.00 0.56 0.00 0.00 36.38 33.85 3jvo s VAL 80 CO 0.70 0.51 1.56 -1.58 -0.31 0.00 0.00 175.10 175.97 3jvo s GLN 81 N -0.01 4.13 -0.05 4.82 2.00 -1.26 -5.00 119.66 124.29 3jvo s GLN 81 Ca 0.05 2.55 -0.04 0.00 -2.00 0.00 0.00 55.36 55.92 3jvo s GLN 81 Cb -0.12 -3.02 -0.04 0.00 0.80 0.00 0.00 33.01 30.63 3jvo s GLN 81 CO 0.01 -0.59 0.17 -0.51 -0.50 0.00 0.00 175.29 173.87 3jvo s LEU 82 N -0.80 4.37 -0.07 3.68 1.43 -1.26 -5.11 118.68 120.92 3jvo s LEU 82 Ca 0.61 0.39 0.02 0.00 -1.03 0.00 0.00 54.13 54.12 3jvo s LEU 82 Cb -0.47 -2.41 -0.02 0.00 0.03 0.00 0.00 46.19 43.31 3jvo s LEU 82 CO 0.50 0.32 -0.12 -0.31 0.23 0.00 0.00 176.35 176.97 3jvo s TYR 83 N -1.22 2.78 0.11 0.29 2.02 -1.26 -5.10 117.35 114.97 3jvo s TYR 83 Ca 0.23 -0.24 -0.31 0.00 -0.37 0.00 0.00 57.07 56.38 3jvo s TYR 83 Cb -0.12 -1.70 -0.08 0.00 -0.40 0.00 0.00 41.96 39.65 3jvo s TYR 83 CO 0.13 0.12 1.52 -2.00 -1.57 0.00 0.00 175.55 173.75 3jvo s GLU 84 N -0.47 4.25 -0.45 -0.62 2.12 -1.26 -4.98 118.70 117.29 3jvo s GLU 84 Ca 0.06 2.23 -0.25 0.00 0.36 0.00 0.00 54.97 57.37 3jvo s GLU 84 Cb -0.12 -3.35 0.03 0.00 0.26 0.00 0.00 34.13 30.95 3jvo s GLU 84 CO 0.02 -0.59 0.89 1.21 -0.54 0.00 0.00 175.26 176.25 3jvo s ASN 85 N 1.56 6.49 0.54 -1.70 3.84 -1.26 -4.94 114.94 119.47 3jvo s ASN 85 Ca 0.69 0.11 0.33 0.00 0.21 0.00 0.00 52.86 54.19 3jvo s ASN 85 Cb -0.39 -2.43 1.77 0.00 -0.55 0.00 0.00 41.25 39.65 3jvo s ASN 85 CO 0.31 -0.99 1.99 0.00 -2.79 0.00 0.00 177.10 175.61 3jvo h ALA 86 N 8.99 1.09 -0.03 1.71 0.00 -2.03 -2.82 119.26 126.17 3jvo h ALA 86 Ca -0.24 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 3jvo h ALA 86 Cb 1.08 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3jvo h ALA 86 CO 1.00 -0.09 -0.24 0.00 0.00 0.00 0.00 179.25 179.93 3jvo h ALA 87 N 1.79 1.55 0.33 0.00 0.00 -1.99 -2.28 119.26 118.65 3jvo h ALA 87 Ca 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 3jvo h ALA 87 Cb 0.19 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3jvo h ALA 87 CO 0.00 0.34 -0.16 0.00 0.00 0.00 0.00 179.25 179.43 3jvo h ALA 88 N 1.72 -0.44 -0.70 0.00 0.00 -1.87 -3.14 119.26 114.83 3jvo h ALA 88 Ca 0.01 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 3jvo h ALA 88 Cb 0.45 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 3jvo h ALA 88 CO 0.03 -0.64 0.28 1.49 0.00 0.00 0.00 179.25 180.41 3jvo h GLU 89 N -0.66 1.03 -4.80 0.00 4.22 -1.76 -3.43 114.58 109.18 3jvo h GLU 89 Ca -0.05 -0.17 -0.54 0.00 0.08 0.00 0.00 59.36 58.68 3jvo h GLU 89 Cb 0.46 -0.17 0.06 0.00 0.50 0.00 0.00 28.75 29.60 3jvo h GLU 89 CO 0.07 0.83 1.73 0.54 -2.18 0.00 0.00 179.01 180.01 3jvo n ARG 90 N -4.30 1.07 0.00 1.92 5.12 -0.87 -4.67 116.66 114.94 3jvo n ARG 90 Ca 0.06 -1.74 0.00 0.00 -1.93 0.00 0.00 57.85 54.25 3jvo n ARG 90 Cb 0.18 -3.01 0.00 0.00 -1.16 0.00 0.00 32.46 28.46 3jvo n ARG 90 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 3jvo n PHE 93 N 9.76 0.00 0.55 -1.55 7.35 -1.26 -4.87 117.46 127.44 3jvo n PHE 93 Ca 0.48 0.00 0.06 0.00 -0.76 0.00 0.00 57.45 57.23 3jvo n PHE 93 Cb 0.42 0.00 0.30 0.00 0.35 0.00 0.00 39.48 40.55 3jvo n PHE 93 CO 0.00 0.00 0.00 0.44 -0.76 0.00 0.00 176.76 176.44 3jvo n ILE 94 N 0.00 0.76 -1.47 -2.13 -5.35 -1.26 -2.51 119.36 107.40 3jvo n ILE 94 Ca 0.00 0.19 0.06 0.00 -0.27 0.00 0.00 62.75 62.73 3jvo n ILE 94 Cb 0.00 -0.99 0.09 0.00 -1.74 0.00 0.00 39.64 37.00 3jvo n ILE 94 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 3jvo n HIS 95 N -1.32 0.00 -2.68 4.28 8.25 -1.26 -5.06 115.22 117.44 3jvo n HIS 95 Ca 0.05 -0.62 -0.41 0.00 -0.26 0.00 0.00 57.72 56.48 3jvo n HIS 95 Cb 0.10 -0.11 -0.04 0.00 1.12 0.00 0.00 29.99 31.06 3jvo n HIS 95 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 3jvo s ARG 96 N -1.73 4.65 0.00 -0.41 3.52 -1.05 -4.85 118.95 119.09 3jvo s ARG 96 Ca 0.20 1.51 0.30 0.00 -0.13 0.00 0.00 55.73 57.61 3jvo s ARG 96 Cb 0.18 -3.37 1.52 0.00 -1.56 0.00 0.00 34.95 31.72 3jvo s ARG 96 CO 0.01 0.14 2.01 -1.71 -0.81 0.00 0.00 175.30 174.94