#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 4.45 -0.17 0.00 1.01 -1.26 -5.05 121.20 120.18 3jvo s ILE 3 Ca 0.00 1.65 -0.23 0.00 0.00 0.00 0.00 60.65 62.07 3jvo s ILE 3 Cb 0.00 -4.11 -0.02 0.00 0.01 0.00 0.00 42.46 38.33 3jvo s ILE 3 CO 0.00 0.51 0.71 -0.62 0.00 0.00 0.00 174.94 175.53 3jvo s ASP 4 N -1.00 6.82 0.29 3.58 -1.08 -1.26 -4.97 116.67 119.06 3jvo s ASP 4 Ca 0.35 1.00 -0.01 0.00 -0.52 0.00 0.00 52.55 53.38 3jvo s ASP 4 Cb -0.22 -2.39 0.48 0.00 -1.46 0.00 0.00 42.92 39.32 3jvo s ASP 4 CO 0.25 -0.30 1.92 1.62 0.52 0.00 0.00 175.17 179.18 3jvo h VAL 5 N 5.13 1.11 0.00 1.11 3.04 -1.93 -0.72 116.25 123.98 3jvo h VAL 5 Ca -0.32 -0.37 0.00 0.00 -1.01 0.00 0.00 66.70 65.00 3jvo h VAL 5 Cb 1.15 -0.08 0.00 0.00 -2.01 0.00 0.00 31.29 30.35 3jvo h VAL 5 CO 0.79 0.20 0.00 0.18 -1.01 0.00 0.00 177.57 177.73 3jvo n LEU 6 N -4.47 0.00 0.14 3.16 4.77 -1.25 -0.23 117.00 119.12 3jvo n LEU 6 Ca 0.13 0.49 0.12 0.00 -0.03 0.00 0.00 56.01 56.73 3jvo n LEU 6 Cb 0.16 -0.49 0.25 0.00 -2.33 0.00 0.00 43.42 41.01 3jvo n LEU 6 CO 0.34 -0.22 0.72 0.44 -1.33 0.00 0.00 177.39 177.33 3jvo h ASP 7 N 0.00 0.00 0.00 -1.43 3.32 -1.54 -3.35 116.42 113.43 3jvo h ASP 7 Ca 0.00 -0.03 -0.31 0.00 0.02 0.00 0.00 57.03 56.71 3jvo h ASP 7 Cb 0.27 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.77 3jvo h ASP 7 CO 0.00 0.01 -1.76 0.52 -1.72 0.00 0.00 179.24 176.29 3jvo n VAL 8 N -2.61 1.52 -4.11 -1.35 0.31 0.67 -4.83 118.33 107.94 3jvo n VAL 8 Ca 0.04 -0.16 -0.23 0.00 -0.01 0.00 0.00 64.34 63.98 3jvo n VAL 8 Cb 0.48 -2.01 -0.17 0.00 -0.91 0.00 0.00 33.84 31.24 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 -2.44 0.74 0.80 2.52 1.01 0.06 -5.08 121.20 118.81 3jvo s ILE 9 Ca -0.32 -0.19 -0.10 0.00 0.00 0.00 0.00 60.65 60.03 3jvo s ILE 9 Cb 0.09 -0.77 0.08 0.00 0.01 0.00 0.00 42.46 41.87 3jvo s ILE 9 CO 0.52 0.29 1.10 -0.94 0.00 0.00 0.00 174.94 175.91 3jvo s SER 10 N 1.26 4.19 0.21 3.58 1.04 -1.25 -3.82 113.70 118.90 3jvo s SER 10 Ca -0.05 1.86 -0.10 0.00 0.48 0.00 0.00 55.95 58.14 3jvo s SER 10 Cb -0.14 -2.51 0.23 0.00 0.10 0.00 0.00 66.02 63.71 3jvo s SER 10 CO -0.02 -2.24 1.80 0.25 0.98 0.00 0.00 173.24 174.01 3jvo h LEU 11 N -1.27 0.51 -0.65 2.42 5.85 -1.95 -2.22 115.31 118.01 3jvo h LEU 11 Ca -0.44 0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.41 3jvo h LEU 11 Cb 1.24 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 42.13 3jvo h LEU 11 CO 0.50 0.33 0.26 -1.28 -0.34 0.00 0.00 178.44 177.91 3jvo h SER 12 N 0.65 0.28 -0.77 1.25 0.87 -1.99 -1.16 113.55 112.67 3jvo h SER 12 Ca 0.29 0.08 -0.05 0.00 -1.23 0.00 0.00 61.79 60.88 3jvo h SER 12 Cb 0.19 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.17 3jvo h SER 12 CO -0.19 0.15 0.28 -0.07 -0.53 0.00 0.00 176.83 176.48 3jvo h LEU 13 N 0.45 1.09 -0.71 2.23 3.38 -1.82 -1.95 115.31 117.99 3jvo h LEU 13 Ca 0.33 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 58.13 3jvo h LEU 13 Cb 0.41 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 3jvo h LEU 13 CO -0.31 0.98 0.46 -0.26 0.09 0.00 0.00 178.44 179.40 3jvo h PHE 14 N 1.14 0.86 -0.66 1.13 0.04 -0.74 -0.80 116.94 117.91 3jvo h PHE 14 Ca 0.26 0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.99 3jvo h PHE 14 Cb 0.25 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 38.09 3jvo h PHE 14 CO 0.02 0.52 0.18 0.87 -0.60 0.00 0.00 178.31 179.30 3jvo h LYS 15 N 0.91 1.02 -0.72 1.51 1.57 -1.08 -2.68 116.57 117.10 3jvo h LYS 15 Ca 0.27 -0.22 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 3jvo h LYS 15 Cb -0.04 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.09 3jvo h LYS 15 CO -0.08 0.89 0.21 1.96 -0.57 0.00 0.00 179.45 181.86 3jvo h GLN 16 N 0.98 1.12 -0.65 3.15 4.20 -0.92 0.31 115.11 123.30 3jvo h GLN 16 Ca 0.21 -0.24 0.11 0.00 0.06 0.00 0.00 58.65 58.78 3jvo h GLN 16 Cb 0.31 -0.16 -0.08 0.00 0.30 0.00 0.00 27.48 27.86 3jvo h GLN 16 CO -0.00 0.96 0.24 0.37 -0.67 0.00 0.00 178.83 179.73 3jvo h GLN 17 N 1.07 0.41 -0.20 1.46 5.75 -0.82 -2.01 115.11 120.77 3jvo h GLN 17 Ca 0.23 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.71 3jvo h GLN 17 Cb 0.32 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.78 3jvo h GLN 17 CO -0.01 0.27 0.00 0.44 -2.65 0.00 0.00 178.83 176.88 3jvo n ILE 18 N -5.00 0.24 -3.66 2.39 -5.35 -1.13 -4.94 119.36 101.91 3jvo n ILE 18 Ca 0.10 -0.50 -0.25 0.00 -0.27 0.00 0.00 62.75 61.84 3jvo n ILE 18 Cb 0.31 0.80 0.07 0.00 -1.74 0.00 0.00 39.64 39.08 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 0.89 -7.21 -3.64 6.28 1.02 0.21 -4.96 120.64 113.22 3jvo n GLU 19 Ca 0.17 0.77 -0.39 0.00 -0.02 0.00 0.00 57.16 57.69 3jvo n GLU 19 Cb 0.48 -5.77 -0.12 0.00 -0.02 0.00 0.00 31.44 26.01 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 -3.33 3.22 -0.14 -0.32 5.36 0.84 -4.97 117.98 118.64 3jvo s PHE 20 Ca 0.54 -0.92 0.19 0.00 -0.96 0.00 0.00 56.93 55.78 3jvo s PHE 20 Cb -0.25 -2.39 -0.14 0.00 -0.34 0.00 0.00 43.02 39.91 3jvo s PHE 20 CO 0.76 -0.60 0.76 0.39 -1.46 0.00 0.00 175.22 175.06 3jvo n GLU 21 N 4.96 0.63 -0.71 10.12 1.02 -1.26 -4.60 120.64 130.80 3jvo n GLU 21 Ca -0.13 0.12 -0.31 0.00 -0.02 0.00 0.00 57.16 56.82 3jvo n GLU 21 Cb 0.47 -1.74 0.17 0.00 -0.02 0.00 0.00 31.44 30.31 3jvo n GLU 21 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3jvo n GLU 22 N -2.73 -0.41 -0.09 3.49 1.02 -1.26 -5.00 120.64 115.65 3jvo n GLU 22 Ca -0.09 -0.05 0.05 0.00 -0.02 0.00 0.00 57.16 57.05 3jvo n GLU 22 Cb 0.76 -2.38 0.10 0.00 -0.02 0.00 0.00 31.44 29.90 3jvo n GLU 22 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3jvo n ASP 23 N -4.17 2.42 -1.22 1.62 10.43 -1.26 -4.68 116.55 119.69 3jvo n ASP 23 Ca 0.12 -1.76 0.09 0.00 2.57 0.00 0.00 54.79 55.82 3jvo n ASP 23 Cb 0.52 -0.12 0.29 0.00 1.84 0.00 0.00 41.12 43.65 3jvo n ASP 23 CO 0.00 0.00 0.00 -0.90 -1.07 0.00 0.00 177.20 175.23 3jvo n ASP 24 N 0.49 4.04 -0.40 -2.24 5.75 -1.26 -4.22 116.55 118.71 3jvo n ASP 24 Ca 0.09 -2.30 0.05 0.00 -0.01 0.00 0.00 54.79 52.62 3jvo n ASP 24 Cb 0.34 -0.47 0.07 0.00 -1.03 0.00 0.00 41.12 40.04 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 0.92 0.63 -0.25 0.11 5.12 -1.26 -4.88 116.66 117.05 3jvo n ARG 25 Ca 0.22 -1.87 0.01 0.00 -1.93 0.00 0.00 57.85 54.28 3jvo n ARG 25 Cb 0.72 -0.95 0.13 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 0.13 0.55 -0.25 0.55 5.19 -1.90 -0.26 116.42 120.43 3jvo h ASP 26 Ca -0.02 0.05 -0.02 0.00 -0.62 0.00 0.00 57.03 56.42 3jvo h ASP 26 Cb 1.24 -0.06 -0.01 0.00 0.18 0.00 0.00 39.33 40.69 3jvo h ASP 26 CO 0.01 0.33 0.09 -0.08 -3.12 0.00 0.00 179.24 176.47 3jvo h GLU 27 N 0.69 0.39 -0.17 3.56 4.81 -1.93 0.23 114.58 122.15 3jvo h GLU 27 Ca 0.35 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 59.49 3jvo h GLU 27 Cb 0.31 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 3jvo h GLU 27 CO -0.23 0.44 0.05 1.25 -0.73 0.00 0.00 179.01 179.78 3jvo h LEU 28 N 0.25 0.25 -0.73 1.64 5.85 -1.89 -2.09 115.31 118.60 3jvo h LEU 28 Ca 0.08 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.63 3jvo h LEU 28 Cb 0.21 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 3jvo h LEU 28 CO -0.00 0.39 0.45 0.40 -0.34 0.00 0.00 178.44 179.34 3jvo h ILE 29 N 0.09 1.09 -0.64 4.05 2.04 -0.98 -0.66 117.51 122.48 3jvo h ILE 29 Ca 0.05 -0.30 0.02 0.00 1.00 0.00 0.00 64.86 65.63 3jvo h ILE 29 Cb 0.23 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.41 3jvo h ILE 29 CO -0.00 0.16 0.43 0.74 0.00 0.00 0.00 178.15 179.48 3jvo h THR 30 N 0.88 1.14 -0.39 -0.27 2.02 -0.83 -0.35 112.91 115.10 3jvo h THR 30 Ca 0.30 -0.29 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 3jvo h THR 30 Cb 0.04 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.67 3jvo h THR 30 CO -0.12 0.15 -0.05 0.25 0.37 0.00 0.00 175.52 176.13 3jvo h LEU 31 N 0.84 0.71 -0.78 2.58 6.46 -0.45 -0.24 115.31 124.44 3jvo h LEU 31 Ca 0.24 -0.34 -0.02 0.00 -0.12 0.00 0.00 57.88 57.65 3jvo h LEU 31 Cb -0.04 -0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 39.66 3jvo h LEU 31 CO -0.06 0.88 0.40 1.88 -0.62 0.00 0.00 178.44 180.93 3jvo h TYR 32 N 0.53 1.09 -0.29 1.25 0.05 -0.78 -0.44 116.97 118.39 3jvo h TYR 32 Ca 0.10 -0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.84 3jvo h TYR 32 Cb 0.54 -0.34 -0.01 0.00 1.01 0.00 0.00 36.73 37.93 3jvo h TYR 32 CO 0.04 0.78 0.14 0.00 -1.05 0.00 0.00 178.16 178.07 3jvo h ALA 33 N 1.21 0.37 -0.67 3.88 0.00 -0.74 -0.35 119.26 122.96 3jvo h ALA 33 Ca 0.27 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3jvo h ALA 33 Cb 0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3jvo h ALA 33 CO -0.04 -0.07 0.30 1.96 0.00 0.00 0.00 179.25 181.40 3jvo h GLN 34 N 0.33 0.98 -0.23 0.00 4.20 -0.85 -1.26 115.11 118.29 3jvo h GLN 34 Ca 0.10 -0.16 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 3jvo h GLN 34 Cb 0.11 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 3jvo h GLN 34 CO -0.01 0.80 0.06 0.00 -0.67 0.00 0.00 178.83 179.00 3jvo h ALA 35 N 1.14 0.30 -0.55 3.87 0.00 -0.96 0.46 119.26 123.51 3jvo h ALA 35 Ca 0.23 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.00 3jvo h ALA 35 Cb 0.15 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3jvo h ALA 35 CO -0.02 -0.05 0.35 0.00 0.00 0.00 0.00 179.25 179.52 3jvo h ALA 36 N 0.88 0.71 -0.26 0.00 0.00 -0.94 -0.58 119.26 119.07 3jvo h ALA 36 Ca 0.07 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3jvo h ALA 36 Cb 0.26 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3jvo h ALA 36 CO -0.00 0.09 -0.04 0.35 0.00 0.00 0.00 179.25 179.65 3jvo h PHE 37 N 0.70 0.54 -0.47 0.00 3.57 -1.11 -1.37 116.94 118.80 3jvo h PHE 37 Ca 0.21 -0.11 0.04 0.00 3.53 0.00 0.00 57.97 61.65 3jvo h PHE 37 Cb -0.02 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.54 3jvo h PHE 37 CO -0.05 0.68 0.23 0.22 -2.23 0.00 0.00 178.31 177.16 3jvo h ASP 38 N 0.24 0.33 -0.03 0.41 3.58 -0.76 -3.03 116.42 117.16 3jvo h ASP 38 Ca 0.07 0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.55 3jvo h ASP 38 Cb 0.49 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.50 3jvo h ASP 38 CO 0.02 0.23 0.02 0.22 -2.88 0.00 0.00 179.24 176.85 3jvo h TYR 39 N 0.46 0.04 0.00 0.28 3.20 -0.96 -1.64 116.97 118.36 3jvo h TYR 39 Ca 0.21 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.08 3jvo h TYR 39 Cb 0.12 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.38 3jvo h TYR 39 CO -0.11 0.11 0.00 0.00 -1.64 0.00 0.00 178.16 176.53 3jvo n ARG 42 N 0.66 0.00 -0.10 0.00 5.12 -0.62 -1.19 116.66 120.54 3jvo n ARG 42 Ca 0.00 0.00 -0.13 0.00 -1.93 0.00 0.00 57.85 55.79 3jvo n ARG 42 Cb 0.07 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.33 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 0.81 -0.10 -1.55 7.01 -1.47 -3.09 115.95 117.57 3jvo h TRP 43 Ca 0.00 -0.23 -0.21 0.00 2.11 0.00 0.00 58.89 60.56 3jvo h TRP 43 Cb 0.00 -0.18 0.00 0.00 -2.10 0.00 0.00 29.16 26.89 3jvo h TRP 43 CO 0.00 0.96 -0.79 0.00 -2.79 0.00 0.00 178.44 175.81 3jvo n ASP 45 N -3.87 -1.80 -4.23 0.00 2.03 -1.17 -0.93 116.55 106.58 3jvo n ASP 45 Ca -0.06 -0.84 -0.42 0.00 0.52 0.00 0.00 54.79 53.99 3jvo n ASP 45 Cb 0.75 -3.99 -0.08 0.00 -0.72 0.00 0.00 41.12 37.08 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 -5.92 2.62 0.54 -0.67 2.56 -1.26 -4.58 118.70 111.98 3jvo s GLU 46 Ca 0.07 -1.84 0.25 0.00 0.00 0.00 0.00 54.97 53.45 3jvo s GLU 46 Cb -0.02 -4.00 1.50 0.00 2.00 0.00 0.00 34.13 33.61 3jvo s GLU 46 CO 0.82 -1.22 2.14 -1.35 -0.56 0.00 0.00 175.26 175.09 3jvo h PRO 47 N 8.41 0.00 0.00 4.30 0.11 -2.01 -2.67 132.00 140.13 3jvo h PRO 47 Ca -0.20 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.91 3jvo h PRO 47 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3jvo h PRO 47 CO 0.87 0.07 0.00 0.00 -0.21 0.00 0.00 178.00 178.73 3jvo h ALA 48 N 1.93 1.00 -1.57 -0.75 0.00 -2.03 -3.38 119.26 114.46 3jvo h ALA 48 Ca -0.00 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 3jvo h ALA 48 Cb 0.16 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.84 3jvo h ALA 48 CO 0.01 0.00 0.74 -1.58 0.00 0.00 0.00 179.25 178.42 3jvo s TRP 49 N -3.91 2.55 -0.20 0.00 0.51 -1.01 -4.84 118.94 112.04 3jvo s TRP 49 Ca -0.03 -0.28 0.08 0.00 -2.12 0.00 0.00 56.10 53.75 3jvo s TRP 49 Cb 0.11 -4.39 -0.18 0.00 -0.81 0.00 0.00 33.47 28.20 3jvo s TRP 49 CO 0.43 -1.76 -0.08 1.63 -0.51 0.00 0.00 176.95 176.66 3jvo n LYS 50 N 8.28 0.84 -4.53 4.98 4.76 -1.26 -5.02 118.16 126.20 3jvo n LYS 50 Ca -0.00 0.07 -0.25 0.00 -2.87 0.00 0.00 58.31 55.25 3jvo n LYS 50 Cb 0.47 -1.44 -0.11 0.00 -1.84 0.00 0.00 35.03 32.11 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 -2.43 1.83 0.26 -0.18 -7.23 -1.26 -4.75 120.40 106.64 3jvo s VAL 51 Ca -0.20 -2.07 -0.01 0.00 -1.81 0.00 0.00 61.98 57.88 3jvo s VAL 51 Cb 0.07 -2.77 0.26 0.00 0.56 0.00 0.00 36.38 34.50 3jvo s VAL 51 CO 0.60 -0.10 1.68 0.00 -0.31 0.00 0.00 175.10 176.97 3jvo h ALA 52 N 1.99 1.14 0.00 1.32 0.00 -1.92 -1.54 119.26 120.26 3jvo h ALA 52 Ca -0.42 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3jvo h ALA 52 Cb 1.24 0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.26 3jvo h ALA 52 CO 0.74 -0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.63 3jvo h ALA 53 N 1.67 1.00 0.00 0.00 0.00 -1.97 -2.58 119.26 117.38 3jvo h ALA 53 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.39 3jvo h ALA 53 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3jvo h ALA 53 CO -0.54 0.00 0.00 -0.44 0.00 0.00 0.00 179.25 178.27 3jvo h ASP 54 N 0.00 0.00 -2.88 0.00 3.32 -1.68 -3.45 116.42 111.73 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 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 3jvo h ASP 54 CO 0.00 0.00 1.03 -0.63 -1.72 0.00 0.00 179.24 177.92 3jvo s ILE 55 N -3.34 3.94 0.72 0.35 -1.09 -0.98 -4.91 121.20 115.89 3jvo s ILE 55 Ca 0.06 1.09 -0.13 0.00 -2.23 0.00 0.00 60.65 59.44 3jvo s ILE 55 Cb 0.08 -3.86 0.03 0.00 -1.58 0.00 0.00 42.46 37.13 3jvo s ILE 55 CO 0.59 -0.27 1.10 -2.16 -1.23 0.00 0.00 174.94 172.97 3jvo s PRO 56 N 4.18 2.47 0.19 2.79 0.04 -1.26 -4.87 135.00 138.53 3jvo s PRO 56 Ca 0.64 1.29 -0.12 0.00 0.04 0.00 0.00 61.00 62.84 3jvo s PRO 56 Cb -0.23 -1.92 0.10 0.00 0.04 0.00 0.00 34.50 32.49 3jvo s PRO 56 CO 0.24 -1.49 1.83 0.00 0.04 0.00 0.00 177.00 177.62 3jvo h ALA 57 N -0.61 0.79 -0.76 8.56 0.00 -1.98 -2.29 119.26 122.97 3jvo h ALA 57 Ca -0.45 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 3jvo h ALA 57 Cb 1.24 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 3jvo h ALA 57 CO 0.52 0.26 0.47 0.00 0.00 0.00 0.00 179.25 180.50 3jvo h ALA 58 N 1.20 1.40 -0.54 0.00 0.00 -2.00 -1.91 119.26 117.41 3jvo h ALA 58 Ca 0.22 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 3jvo h ALA 58 Cb -0.04 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 3jvo h ALA 58 CO -0.04 0.53 -0.03 0.28 0.00 0.00 0.00 179.25 179.99 3jvo h VAL 59 N 1.04 1.26 -0.80 0.00 2.07 -1.81 -1.61 116.25 116.40 3jvo h VAL 59 Ca 0.27 -1.14 -0.02 0.00 0.82 0.00 0.00 66.70 66.64 3jvo h VAL 59 Cb -0.06 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 30.54 3jvo h VAL 59 CO -0.05 0.40 0.43 0.11 0.02 0.00 0.00 177.57 178.49 3jvo h LYS 60 N 0.87 1.11 -0.85 1.57 1.57 -0.90 -1.23 116.57 118.72 3jvo h LYS 60 Ca 0.16 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 3jvo h LYS 60 Cb 0.55 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 32.60 3jvo h LYS 60 CO 0.03 0.81 0.46 0.78 -0.57 0.00 0.00 179.45 180.97 3jvo h GLY 61 N 1.14 1.27 1.07 3.86 0.00 -0.97 -1.85 103.07 107.59 3jvo h GLY 61 Ca 0.28 -0.58 -0.09 0.00 0.00 0.00 0.00 47.33 46.94 3jvo h GLY 61 CO -0.04 0.56 0.04 0.00 0.00 0.00 0.00 176.54 177.09 3jvo h ALA 62 N 1.25 0.83 -0.18 3.60 0.00 -0.67 -2.25 119.26 121.84 3jvo h ALA 62 Ca 0.30 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3jvo h ALA 62 Cb 0.04 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3jvo h ALA 62 CO -0.05 0.64 0.12 0.28 0.00 0.00 0.00 179.25 180.24 3jvo h VAL 63 N 0.97 1.05 -0.82 0.00 2.07 -0.95 -0.66 116.25 117.91 3jvo h VAL 63 Ca 0.18 -0.11 0.10 0.00 0.82 0.00 0.00 66.70 67.69 3jvo h VAL 63 Cb 0.52 0.80 -0.07 0.00 -1.52 0.00 0.00 31.29 31.02 3jvo h VAL 63 CO 0.02 0.05 0.47 -0.07 0.02 0.00 0.00 177.57 178.06 3jvo h LEU 64 N 0.23 0.66 -0.27 2.57 3.38 -1.26 0.15 115.31 120.77 3jvo h LEU 64 Ca 0.06 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3jvo h LEU 64 Cb -0.02 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 3jvo h LEU 64 CO -0.01 0.37 0.07 -0.07 0.09 0.00 0.00 178.44 178.88 3jvo h LEU 65 N 0.77 0.41 -0.37 1.67 3.38 -0.78 -0.70 115.31 119.69 3jvo h LEU 65 Ca 0.40 -0.22 -0.12 0.00 0.09 0.00 0.00 57.88 58.03 3jvo h LEU 65 Cb 0.39 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3jvo h LEU 65 CO -0.26 0.53 -0.22 0.58 0.09 0.00 0.00 178.44 179.16 3jvo h VAL 66 N 0.27 1.28 -0.02 1.22 2.07 -0.81 -1.73 116.25 118.54 3jvo h VAL 66 Ca 0.09 -1.36 0.03 0.00 0.82 0.00 0.00 66.70 66.27 3jvo h VAL 66 Cb 0.27 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 3jvo h VAL 66 CO 0.00 0.45 -0.23 0.15 0.02 0.00 0.00 177.57 177.96 3jvo h PHE 67 N 0.59 -0.60 -0.43 1.57 3.57 -0.67 -2.93 116.94 118.04 3jvo h PHE 67 Ca 0.08 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.55 3jvo h PHE 67 Cb 0.78 0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.77 3jvo h PHE 67 CO 0.06 -0.31 0.06 0.00 -2.23 0.00 0.00 178.31 175.88 3jvo h ALA 68 N 0.53 1.30 0.00 2.41 0.00 -1.00 -1.91 119.26 120.60 3jvo h ALA 68 Ca 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3jvo h ALA 68 Cb 0.44 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3jvo h ALA 68 CO -0.22 0.48 0.00 -3.47 0.00 0.00 0.00 179.25 176.04 3jvo n ASP 69 N -4.28 0.00 0.00 0.00 2.03 -0.66 -1.10 116.55 112.55 3jvo n ASP 69 Ca 0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.33 3jvo n ASP 69 Cb 0.24 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.64 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 0.78 0.00 0.02 -0.67 7.35 -0.72 -0.77 117.46 123.46 3jvo n PHE 71 Ca 0.00 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.61 3jvo n PHE 71 Cb 0.00 0.00 -0.13 0.00 0.35 0.00 0.00 39.48 39.70 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 0.00 -4.41 -4.13 4.39 -1.39 -3.43 114.58 105.61 3jvo h GLU 72 Ca 0.00 0.00 -0.64 0.00 0.34 0.00 0.00 59.36 59.06 3jvo h GLU 72 Cb 0.00 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 28.25 3jvo h GLU 72 CO 0.00 0.73 -0.73 -1.01 -1.16 0.00 0.00 179.01 176.84 3jvo s HIS 73 N -2.66 3.29 -0.99 4.33 3.76 0.05 -4.99 115.29 118.08 3jvo s HIS 73 Ca -0.02 -2.73 0.24 0.00 -0.15 0.00 0.00 55.06 52.40 3jvo s HIS 73 Cb 0.09 -2.65 0.24 0.00 1.11 0.00 0.00 32.58 31.36 3jvo s HIS 73 CO 0.82 -0.93 1.23 0.54 -0.85 0.00 0.00 174.74 175.55 3jvo n ARG 74 N 4.36 0.01 -4.85 1.40 5.12 -1.26 -4.94 116.66 116.49 3jvo n ARG 74 Ca 0.03 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.65 3jvo n ARG 74 Cb 0.42 -1.50 -0.15 0.00 -1.16 0.00 0.00 32.46 30.07 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 -3.00 2.07 0.36 0.55 -4.23 -1.26 -5.04 115.64 105.09 3jvo s THR 75 Ca 0.10 -1.37 0.34 0.00 -1.18 0.00 0.00 61.69 59.58 3jvo s THR 75 Cb 0.17 -1.77 0.36 0.00 1.34 0.00 0.00 72.50 72.60 3jvo s THR 75 CO 0.76 0.34 2.11 0.00 -0.54 0.00 0.00 174.62 177.29 3jvo h ALA 76 N 4.78 1.10 -2.97 3.99 0.00 -2.06 -3.42 119.26 120.69 3jvo h ALA 76 Ca -0.46 -0.05 -0.39 0.00 0.00 0.00 0.00 54.91 54.01 3jvo h ALA 76 Cb 1.15 -0.01 -0.19 0.00 0.00 0.00 0.00 17.79 18.74 3jvo h ALA 76 CO 0.43 0.07 -0.76 -0.65 0.00 0.00 0.00 179.25 178.35 3jvo s GLN 77 N -3.98 0.94 0.05 0.00 -0.21 -1.26 -5.17 119.66 110.03 3jvo s GLN 77 Ca -0.02 -1.16 0.01 0.00 0.02 0.00 0.00 55.36 54.22 3jvo s GLN 77 Cb 0.12 -0.80 -0.03 0.00 1.00 0.00 0.00 33.01 33.30 3jvo s GLN 77 CO 0.53 0.15 -0.06 -1.54 -2.12 0.00 0.00 175.29 172.25 3jvo s SER 78 N -2.29 0.77 0.26 5.90 1.04 -1.26 -5.02 113.70 113.09 3jvo s SER 78 Ca 0.06 -0.70 0.24 0.00 0.48 0.00 0.00 55.95 56.03 3jvo s SER 78 Cb -0.06 0.08 0.96 0.00 0.10 0.00 0.00 66.02 67.10 3jvo s SER 78 CO 0.02 -0.33 1.73 -0.62 0.98 0.00 0.00 173.24 175.02 3jvo n GLU 79 N 0.99 0.21 -5.00 4.02 4.71 -1.26 -4.65 120.64 119.66 3jvo n GLU 79 Ca -0.20 0.39 -0.29 0.00 -0.01 0.00 0.00 57.16 57.05 3jvo n GLU 79 Cb 0.57 -1.87 -0.17 0.00 -1.01 0.00 0.00 31.44 28.96 3jvo n GLU 79 CO 0.00 0.00 0.00 0.14 0.09 0.00 0.00 177.13 177.36 3jvo s VAL 80 N -3.29 1.74 0.19 2.62 -7.23 -1.26 -5.10 120.40 108.07 3jvo s VAL 80 Ca 0.05 -0.83 -0.33 0.00 -1.81 0.00 0.00 61.98 59.06 3jvo s VAL 80 Cb 0.10 -1.52 -0.13 0.00 0.56 0.00 0.00 36.38 35.39 3jvo s VAL 80 CO 0.43 0.49 1.59 1.67 -0.31 0.00 0.00 175.10 178.96 3jvo n GLN 81 N 3.59 2.33 -3.66 4.82 -0.06 -1.26 -4.99 117.38 118.15 3jvo n GLN 81 Ca -0.20 0.84 -0.37 0.00 -2.00 0.00 0.00 57.00 55.26 3jvo n GLN 81 Cb 0.53 -2.61 -0.06 0.00 -4.06 0.00 0.00 30.24 24.03 3jvo n GLN 81 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 3jvo s LEU 82 N 0.73 4.39 -0.12 1.69 1.43 -1.26 -5.09 118.68 120.45 3jvo s LEU 82 Ca 0.75 0.67 -0.02 0.00 -1.03 0.00 0.00 54.13 54.50 3jvo s LEU 82 Cb -0.62 -2.34 -0.03 0.00 0.03 0.00 0.00 46.19 43.24 3jvo s LEU 82 CO 0.39 0.31 -0.05 -0.31 0.23 0.00 0.00 176.35 176.92 3jvo s TYR 83 N -0.74 3.00 0.21 0.29 2.02 -1.26 -5.08 117.35 115.79 3jvo s TYR 83 Ca 0.19 -0.19 -0.31 0.00 -0.37 0.00 0.00 57.07 56.39 3jvo s TYR 83 Cb -0.14 -1.86 -0.10 0.00 -0.40 0.00 0.00 41.96 39.46 3jvo s TYR 83 CO 0.08 0.10 1.47 -2.00 -1.57 0.00 0.00 175.55 173.63 3jvo s GLU 84 N -0.08 4.26 -0.40 -0.62 2.12 -1.26 -4.97 118.70 117.76 3jvo s GLU 84 Ca 0.01 2.30 -0.23 0.00 0.36 0.00 0.00 54.97 57.41 3jvo s GLU 84 Cb -0.13 -3.14 0.02 0.00 0.26 0.00 0.00 34.13 31.14 3jvo s GLU 84 CO 0.03 -0.47 0.80 1.21 -0.54 0.00 0.00 175.26 176.28 3jvo s ASN 85 N 0.65 6.51 0.44 -1.70 3.84 -1.26 -4.95 114.94 118.47 3jvo s ASN 85 Ca 0.63 0.20 0.30 0.00 0.21 0.00 0.00 52.86 54.20 3jvo s ASN 85 Cb -0.42 -2.40 1.46 0.00 -0.55 0.00 0.00 41.25 39.35 3jvo s ASN 85 CO 0.39 -0.81 1.91 0.00 -2.79 0.00 0.00 177.10 175.80 3jvo h ALA 86 N 8.67 1.00 -0.54 1.71 0.00 -2.03 -2.96 119.26 125.11 3jvo h ALA 86 Ca -0.25 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.72 3jvo h ALA 86 Cb 1.09 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 3jvo h ALA 86 CO 0.93 0.00 0.36 0.00 0.00 0.00 0.00 179.25 180.55 3jvo h ALA 87 N 2.07 1.84 0.39 0.00 0.00 -1.98 -2.06 119.26 119.51 3jvo h ALA 87 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3jvo h ALA 87 Cb 0.21 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3jvo h ALA 87 CO 0.00 0.08 -0.19 0.00 0.00 0.00 0.00 179.25 179.14 3jvo h ALA 88 N 1.70 -0.52 -0.57 0.00 0.00 -1.90 -3.15 119.26 114.82 3jvo h ALA 88 Ca 0.23 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3jvo h ALA 88 Cb 0.25 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3jvo h ALA 88 CO -0.06 -0.68 0.05 1.05 0.00 0.00 0.00 179.25 179.61 3jvo h GLU 89 N -0.76 0.94 -4.92 0.00 -0.00 -1.76 -3.43 114.58 104.64 3jvo h GLU 89 Ca -0.05 -0.25 -0.47 0.00 -0.00 0.00 0.00 59.36 58.58 3jvo h GLU 89 Cb 0.52 -0.11 0.06 0.00 -0.00 0.00 0.00 28.75 29.22 3jvo h GLU 89 CO 0.09 0.90 1.40 0.54 -0.00 0.00 0.00 179.01 181.94 3jvo n ARG 90 N -4.21 0.76 0.00 1.06 1.74 -0.78 -4.64 116.66 110.59 3jvo n ARG 90 Ca 0.03 -1.63 0.00 0.00 -0.77 0.00 0.00 57.85 55.48 3jvo n ARG 90 Cb 0.30 -3.07 0.00 0.00 -1.02 0.00 0.00 32.46 28.66 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 11.19 0.00 0.68 -1.55 7.35 -1.26 -4.87 117.46 129.00 3jvo n PHE 93 Ca 0.47 0.00 0.08 0.00 -0.76 0.00 0.00 57.45 57.23 3jvo n PHE 93 Cb 0.43 0.00 0.38 0.00 0.35 0.00 0.00 39.48 40.64 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 0.67 -1.05 -2.13 -5.35 -1.26 -2.57 119.36 107.66 3jvo n ILE 94 Ca 0.00 0.17 0.06 0.00 -0.27 0.00 0.00 62.75 62.70 3jvo n ILE 94 Cb 0.00 -0.90 0.08 0.00 -1.74 0.00 0.00 39.64 37.07 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 -1.36 0.00 -2.42 4.28 8.25 -1.26 -5.07 115.22 117.64 3jvo n HIS 95 Ca 0.06 -0.65 -0.41 0.00 -0.26 0.00 0.00 57.72 56.47 3jvo n HIS 95 Cb 0.14 -0.10 -0.04 0.00 1.12 0.00 0.00 29.99 31.11 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 -1.79 4.58 0.00 -0.41 6.06 -1.06 -4.85 118.95 121.47 3jvo s ARG 96 Ca 0.18 1.85 0.19 0.00 -2.50 0.00 0.00 55.73 55.45 3jvo s ARG 96 Cb 0.16 -3.20 1.11 0.00 0.06 0.00 0.00 34.95 33.08 3jvo s ARG 96 CO 0.02 0.10 1.50 -1.71 -2.50 0.00 0.00 175.30 172.71