#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 4.99 -0.30 0.00 1.01 -1.26 -5.06 121.20 120.57 3jvo s ILE 3 Ca 0.00 0.81 -0.26 0.00 0.00 0.00 0.00 60.65 61.20 3jvo s ILE 3 Cb 0.00 -3.72 0.01 0.00 0.01 0.00 0.00 42.46 38.75 3jvo s ILE 3 CO 0.00 0.48 0.92 -0.62 0.00 0.00 0.00 174.94 175.72 3jvo s ASP 4 N -1.29 6.81 0.42 3.58 -1.08 -1.26 -4.94 116.67 118.90 3jvo s ASP 4 Ca 0.28 0.89 0.21 0.00 -0.52 0.00 0.00 52.55 53.41 3jvo s ASP 4 Cb -0.16 -2.47 1.17 0.00 -1.46 0.00 0.00 42.92 40.00 3jvo s ASP 4 CO 0.16 -0.72 1.77 1.62 0.52 0.00 0.00 175.17 178.52 3jvo h VAL 5 N 5.63 0.49 0.00 1.11 3.04 -1.93 0.49 116.25 125.08 3jvo h VAL 5 Ca -0.22 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 65.35 3jvo h VAL 5 Cb 1.08 0.13 0.00 0.00 -2.01 0.00 0.00 31.29 30.49 3jvo h VAL 5 CO 0.95 0.06 0.00 -0.07 -1.01 0.00 0.00 177.57 177.50 3jvo h LEU 6 N 0.33 0.00 -0.75 3.16 3.38 -1.93 0.53 115.31 120.03 3jvo h LEU 6 Ca 0.60 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.57 3jvo h LEU 6 Cb 1.65 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.40 3jvo h LEU 6 CO -0.27 0.00 -0.02 0.44 0.09 0.00 0.00 178.44 178.67 3jvo h ASP 7 N 0.00 0.00 0.00 -0.43 3.32 -1.30 -3.33 116.42 114.68 3jvo h ASP 7 Ca 0.00 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 56.80 3jvo h ASP 7 Cb 0.56 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.07 3jvo h ASP 7 CO 0.00 0.02 -1.43 0.52 -1.72 0.00 0.00 179.24 176.63 3jvo n VAL 8 N -3.11 1.52 -3.93 -1.35 0.31 0.02 -4.86 118.33 106.92 3jvo n VAL 8 Ca 0.02 -0.07 -0.24 0.00 -0.01 0.00 0.00 64.34 64.04 3jvo n VAL 8 Cb 0.42 -2.06 -0.17 0.00 -0.91 0.00 0.00 33.84 31.12 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 -2.40 0.73 0.87 2.52 1.01 -0.27 -5.08 121.20 118.57 3jvo s ILE 9 Ca -0.29 -0.12 -0.10 0.00 0.00 0.00 0.00 60.65 60.13 3jvo s ILE 9 Cb 0.07 -0.79 0.12 0.00 0.01 0.00 0.00 42.46 41.87 3jvo s ILE 9 CO 0.52 0.31 1.14 -0.94 0.00 0.00 0.00 174.94 175.97 3jvo s SER 10 N 1.65 3.38 0.22 3.58 1.04 -1.25 -4.03 113.70 118.29 3jvo s SER 10 Ca 0.02 2.11 -0.09 0.00 0.48 0.00 0.00 55.95 58.47 3jvo s SER 10 Cb -0.13 -2.56 0.20 0.00 0.10 0.00 0.00 66.02 63.63 3jvo s SER 10 CO -0.05 -2.80 1.89 0.25 0.98 0.00 0.00 173.24 173.51 3jvo h LEU 11 N -1.61 0.92 -0.69 2.42 5.85 -1.95 -1.94 115.31 118.31 3jvo h LEU 11 Ca -0.43 -0.02 0.09 0.00 0.84 0.00 0.00 57.88 58.36 3jvo h LEU 11 Cb 1.26 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 42.00 3jvo h LEU 11 CO 0.44 0.66 0.33 -1.28 -0.34 0.00 0.00 178.44 178.25 3jvo h SER 12 N 1.08 0.42 -0.48 1.25 0.87 -1.99 -0.78 113.55 113.92 3jvo h SER 12 Ca 0.31 0.06 -0.07 0.00 -1.23 0.00 0.00 61.79 60.86 3jvo h SER 12 Cb -0.09 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 3jvo h SER 12 CO -0.08 0.24 0.05 -0.07 -0.53 0.00 0.00 176.83 176.45 3jvo h LEU 13 N 0.57 0.84 -0.56 2.23 4.07 -1.82 -1.76 115.31 118.88 3jvo h LEU 13 Ca 0.34 -0.19 -0.00 0.00 0.08 0.00 0.00 57.88 58.11 3jvo h LEU 13 Cb 0.37 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 41.86 3jvo h LEU 13 CO -0.27 0.88 0.34 -0.26 -1.08 0.00 0.00 178.44 178.05 3jvo h PHE 14 N 0.83 0.73 -0.41 1.13 0.04 -0.63 -1.37 116.94 117.26 3jvo h PHE 14 Ca 0.17 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.84 3jvo h PHE 14 Cb 0.42 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.32 3jvo h PHE 14 CO 0.02 0.49 -0.13 0.87 -0.60 0.00 0.00 178.31 178.97 3jvo h LYS 15 N 0.75 0.74 -0.61 1.51 1.57 -0.93 -2.78 116.57 116.82 3jvo h LYS 15 Ca 0.20 -0.25 -0.05 0.00 -1.87 0.00 0.00 60.65 58.69 3jvo h LYS 15 Cb -0.03 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 3jvo h LYS 15 CO -0.04 0.83 0.19 1.96 -0.57 0.00 0.00 179.45 181.83 3jvo h GLN 16 N 0.66 0.92 -0.70 3.15 4.20 -1.08 0.21 115.11 122.47 3jvo h GLN 16 Ca 0.11 -0.17 0.10 0.00 0.06 0.00 0.00 58.65 58.75 3jvo h GLN 16 Cb 0.60 -0.15 -0.07 0.00 0.30 0.00 0.00 27.48 28.16 3jvo h GLN 16 CO 0.04 0.79 0.33 0.37 -0.67 0.00 0.00 178.83 179.69 3jvo h GLN 17 N 0.89 0.54 -0.69 1.46 5.75 -0.97 -1.78 115.11 120.32 3jvo h GLN 17 Ca 0.20 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.67 3jvo h GLN 17 Cb 0.25 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 28.68 3jvo h GLN 17 CO -0.01 0.36 0.00 0.44 -2.65 0.00 0.00 178.83 176.97 3jvo n ILE 18 N -4.90 1.30 -4.02 2.39 -5.35 -1.16 -4.96 119.36 102.66 3jvo n ILE 18 Ca 0.11 -1.03 -0.26 0.00 -0.27 0.00 0.00 62.75 61.29 3jvo n ILE 18 Cb 0.29 0.32 -0.04 0.00 -1.74 0.00 0.00 39.64 38.48 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 1.39 -2.85 -3.70 6.28 1.02 -0.55 -4.93 120.64 117.30 3jvo n GLU 19 Ca 0.24 0.34 -0.38 0.00 -0.02 0.00 0.00 57.16 57.35 3jvo n GLU 19 Cb 0.71 -4.35 -0.12 0.00 -0.02 0.00 0.00 31.44 27.66 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 -4.04 3.17 -0.17 -0.32 5.36 0.63 -4.98 117.98 117.63 3jvo s PHE 20 Ca 0.01 -0.83 0.20 0.00 -0.96 0.00 0.00 56.93 55.34 3jvo s PHE 20 Cb -0.00 -2.31 -0.09 0.00 -0.34 0.00 0.00 43.02 40.27 3jvo s PHE 20 CO 0.91 -0.54 0.88 0.39 -1.46 0.00 0.00 175.22 175.40 3jvo n GLU 21 N 4.92 0.62 -1.62 10.12 -0.58 -1.26 -4.61 120.64 128.23 3jvo n GLU 21 Ca -0.14 0.12 -0.32 0.00 -0.42 0.00 0.00 57.16 56.41 3jvo n GLU 21 Cb 0.48 -1.78 0.05 0.00 -0.57 0.00 0.00 31.44 29.62 3jvo n GLU 21 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 3jvo s GLU 22 N -3.20 2.85 0.00 3.49 8.01 -1.26 -5.00 118.70 123.60 3jvo s GLU 22 Ca -0.02 1.10 0.06 0.00 0.01 0.00 0.00 54.97 56.12 3jvo s GLU 22 Cb 0.10 -1.97 0.15 0.00 -4.31 0.00 0.00 34.13 28.09 3jvo s GLU 22 CO 0.81 -1.18 1.05 -3.47 0.01 0.00 0.00 175.26 172.48 3jvo n ASP 23 N -2.90 2.31 -1.72 -0.19 -0.08 -1.26 -4.66 116.55 108.05 3jvo n ASP 23 Ca 0.08 -1.84 0.08 0.00 -1.51 0.00 0.00 54.79 51.60 3jvo n ASP 23 Cb 0.53 -0.10 0.38 0.00 2.34 0.00 0.00 41.12 44.27 3jvo n ASP 23 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 3jvo n ASP 24 N 0.13 5.21 -1.17 1.67 5.75 -1.26 -4.22 116.55 122.66 3jvo n ASP 24 Ca 0.06 -2.67 0.05 0.00 -0.01 0.00 0.00 54.79 52.21 3jvo n ASP 24 Cb 0.31 -0.63 0.08 0.00 -1.03 0.00 0.00 41.12 39.85 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 0.88 0.50 -0.24 0.11 5.12 -1.26 -4.89 116.66 116.87 3jvo n ARG 25 Ca 0.27 -2.36 -0.08 0.00 -1.93 0.00 0.00 57.85 53.75 3jvo n ARG 25 Cb 1.03 -0.53 0.05 0.00 -1.16 0.00 0.00 32.46 31.85 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 0.94 1.07 -0.30 0.55 3.32 -1.92 -0.72 116.42 119.36 3jvo h ASP 26 Ca -0.15 -0.25 -0.04 0.00 0.02 0.00 0.00 57.03 56.62 3jvo h ASP 26 Cb 1.60 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.85 3jvo h ASP 26 CO 0.06 1.05 0.05 -0.08 -1.72 0.00 0.00 179.24 178.60 3jvo h GLU 27 N 1.05 0.51 0.13 3.56 4.81 -1.94 -0.51 114.58 122.19 3jvo h GLU 27 Ca 0.21 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 3jvo h GLU 27 Cb 0.42 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.74 3jvo h GLU 27 CO 0.01 0.61 -0.06 1.25 -0.73 0.00 0.00 179.01 180.08 3jvo h LEU 28 N 0.33 -0.15 -0.77 1.64 5.85 -1.91 -1.11 115.31 119.18 3jvo h LEU 28 Ca 0.09 -0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.75 3jvo h LEU 28 Cb 0.35 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.36 3jvo h LEU 28 CO 0.01 0.02 0.47 0.40 -0.34 0.00 0.00 178.44 179.00 3jvo h ILE 29 N -0.32 1.04 -0.98 4.05 2.04 -1.13 -0.75 117.51 121.46 3jvo h ILE 29 Ca -0.02 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.54 3jvo h ILE 29 Cb 0.26 0.09 -0.05 0.00 -0.74 0.00 0.00 36.82 36.37 3jvo h ILE 29 CO 0.03 0.16 0.63 0.74 0.00 0.00 0.00 178.15 179.71 3jvo h THR 30 N 0.88 1.26 -0.58 -0.27 2.02 -0.88 -1.17 112.91 114.17 3jvo h THR 30 Ca 0.33 -0.51 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 3jvo h THR 30 Cb 0.13 -0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 66.35 3jvo h THR 30 CO -0.16 0.26 0.23 0.25 0.37 0.00 0.00 175.52 176.47 3jvo h LEU 31 N 1.34 0.79 -0.68 2.58 5.85 0.13 -0.81 115.31 124.52 3jvo h LEU 31 Ca 0.36 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.90 3jvo h LEU 31 Cb -0.11 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.68 3jvo h LEU 31 CO -0.07 0.75 0.40 1.88 -0.34 0.00 0.00 178.44 181.06 3jvo h TYR 32 N 0.79 0.90 -0.31 1.25 0.05 -0.74 -0.56 116.97 118.36 3jvo h TYR 32 Ca 0.19 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 58.96 3jvo h TYR 32 Cb 0.20 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 37.63 3jvo h TYR 32 CO 0.01 0.62 0.16 0.00 -1.05 0.00 0.00 178.16 177.90 3jvo h ALA 33 N 1.21 0.39 -0.47 3.88 0.00 -0.90 -0.03 119.26 123.34 3jvo h ALA 33 Ca 0.24 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3jvo h ALA 33 Cb -0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3jvo h ALA 33 CO -0.04 -0.07 0.22 1.96 0.00 0.00 0.00 179.25 181.32 3jvo h GLN 34 N 0.37 0.68 -0.29 0.00 4.20 -1.02 -0.28 115.11 118.75 3jvo h GLN 34 Ca 0.11 -0.10 0.01 0.00 0.06 0.00 0.00 58.65 58.73 3jvo h GLN 34 Cb 0.08 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 3jvo h GLN 34 CO -0.02 0.57 0.17 0.00 -0.67 0.00 0.00 178.83 178.89 3jvo h ALA 35 N 1.07 0.37 -0.65 3.87 0.00 -0.90 -0.57 119.26 122.44 3jvo h ALA 35 Ca 0.16 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 3jvo h ALA 35 Cb 0.12 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3jvo h ALA 35 CO -0.02 -0.20 0.27 0.00 0.00 0.00 0.00 179.25 179.30 3jvo h ALA 36 N 1.13 0.84 -0.18 0.00 0.00 -0.75 -1.42 119.26 118.87 3jvo h ALA 36 Ca 0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3jvo h ALA 36 Cb -0.00 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3jvo h ALA 36 CO -0.05 0.45 0.04 0.35 0.00 0.00 0.00 179.25 180.03 3jvo h PHE 37 N 0.91 0.32 -0.44 0.00 3.57 -0.98 -0.40 116.94 119.92 3jvo h PHE 37 Ca 0.22 -0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.75 3jvo h PHE 37 Cb 0.19 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 38.78 3jvo h PHE 37 CO 0.01 0.44 0.07 0.22 -2.23 0.00 0.00 178.31 176.82 3jvo h ASP 38 N 0.10 -0.02 -0.19 0.41 3.58 -1.01 -2.61 116.42 116.68 3jvo h ASP 38 Ca 0.06 0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.58 3jvo h ASP 38 Cb 0.29 0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.44 3jvo h ASP 38 CO 0.00 0.02 0.10 0.22 -2.88 0.00 0.00 179.24 176.71 3jvo h TYR 39 N 0.20 0.27 0.00 0.28 3.20 -1.14 -1.27 116.97 118.51 3jvo h TYR 39 Ca 0.21 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.07 3jvo h TYR 39 Cb 0.27 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.46 3jvo h TYR 39 CO -0.22 0.26 0.00 0.00 -1.64 0.00 0.00 178.16 176.56 3jvo n ARG 42 N 0.62 0.00 -0.06 0.00 3.00 -0.48 -1.19 116.66 118.55 3jvo n ARG 42 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.85 57.72 3jvo n ARG 42 Cb 0.19 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.60 3jvo n ARG 42 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.63 179.98 3jvo h TRP 43 N 0.00 0.38 -0.06 -1.55 7.01 -1.48 -3.16 115.95 117.09 3jvo h TRP 43 Ca 0.00 -0.07 -0.15 0.00 2.11 0.00 0.00 58.89 60.78 3jvo h TRP 43 Cb 0.00 -0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 26.95 3jvo h TRP 43 CO 0.00 0.55 -0.64 0.00 -2.79 0.00 0.00 178.44 175.56 3jvo n ASP 45 N -3.84 -1.44 -4.13 0.00 2.03 -1.20 -0.84 116.55 107.13 3jvo n ASP 45 Ca -0.02 -0.77 -0.38 0.00 0.52 0.00 0.00 54.79 54.14 3jvo n ASP 45 Cb 0.64 -4.32 -0.10 0.00 -0.72 0.00 0.00 41.12 36.63 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 -5.84 2.38 0.24 -0.67 2.56 -1.26 -4.43 118.70 111.68 3jvo s GLU 46 Ca 0.01 -2.13 0.23 0.00 0.00 0.00 0.00 54.97 53.09 3jvo s GLU 46 Cb -0.01 -3.74 0.95 0.00 2.00 0.00 0.00 34.13 33.34 3jvo s GLU 46 CO 0.79 -1.14 1.69 -0.35 -0.56 0.00 0.00 175.26 175.69 3jvo n PRO 47 N 4.17 0.18 0.32 4.30 -0.04 -1.26 -2.54 135.00 140.13 3jvo n PRO 47 Ca 0.02 0.41 0.19 0.00 -0.04 0.00 0.00 63.50 64.08 3jvo n PRO 47 Cb 0.40 -1.84 1.07 0.00 -0.04 0.00 0.00 33.50 33.08 3jvo n PRO 47 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3jvo h ALA 48 N 2.28 1.26 -1.60 0.55 0.00 -2.02 -3.39 119.26 116.34 3jvo h ALA 48 Ca 0.00 -0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.29 3jvo h ALA 48 Cb 0.35 -0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.01 3jvo h ALA 48 CO 0.00 0.00 0.71 -1.58 0.00 0.00 0.00 179.25 178.38 3jvo s TRP 49 N -4.39 2.64 -0.12 0.00 0.51 -1.05 -4.82 118.94 111.70 3jvo s TRP 49 Ca -0.05 -0.55 0.16 0.00 -2.12 0.00 0.00 56.10 53.54 3jvo s TRP 49 Cb 0.14 -4.37 -0.24 0.00 -0.81 0.00 0.00 33.47 28.19 3jvo s TRP 49 CO 0.48 -1.73 0.17 1.63 -0.51 0.00 0.00 176.95 177.00 3jvo n LYS 50 N 7.95 0.98 -4.38 4.98 5.02 -1.26 -5.00 118.16 126.46 3jvo n LYS 50 Ca 0.02 -0.06 -0.20 0.00 -2.02 0.00 0.00 58.31 56.05 3jvo n LYS 50 Cb 0.47 -1.44 -0.10 0.00 -0.02 0.00 0.00 35.03 33.93 3jvo n LYS 50 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3jvo s VAL 51 N -2.70 1.76 0.34 -0.18 -7.23 -1.26 -4.82 120.40 106.31 3jvo s VAL 51 Ca -0.08 -2.20 0.13 0.00 -1.81 0.00 0.00 61.98 58.02 3jvo s VAL 51 Cb 0.07 -2.18 0.33 0.00 0.56 0.00 0.00 36.38 35.16 3jvo s VAL 51 CO 0.73 -0.49 1.69 0.00 -0.31 0.00 0.00 175.10 176.71 3jvo h ALA 52 N 2.46 1.92 0.00 1.32 0.00 -1.93 0.14 119.26 123.17 3jvo h ALA 52 Ca -0.39 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3jvo h ALA 52 Cb 1.23 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 3jvo h ALA 52 CO 0.63 -0.48 -0.03 0.00 0.00 0.00 0.00 179.25 179.37 3jvo h ALA 53 N 1.80 1.03 0.00 0.00 0.00 -1.96 -2.64 119.26 117.50 3jvo h ALA 53 Ca 0.70 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.58 3jvo h ALA 53 Cb 1.53 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.31 3jvo h ALA 53 CO -0.55 0.04 0.00 -0.44 0.00 0.00 0.00 179.25 178.30 3jvo h ASP 54 N 0.00 0.00 -2.93 0.00 3.32 -1.11 -3.45 116.42 112.25 3jvo h ASP 54 Ca -0.00 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.48 3jvo h ASP 54 Cb 0.41 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.92 3jvo h ASP 54 CO 0.00 0.00 0.88 -0.63 -1.72 0.00 0.00 179.24 177.77 3jvo s ILE 55 N -3.38 4.27 0.61 0.35 -1.09 -1.00 -4.92 121.20 116.04 3jvo s ILE 55 Ca 0.05 1.55 -0.17 0.00 -2.23 0.00 0.00 60.65 59.85 3jvo s ILE 55 Cb 0.09 -4.00 -0.02 0.00 -1.58 0.00 0.00 42.46 36.95 3jvo s ILE 55 CO 0.53 -0.12 1.11 -2.84 -1.23 0.00 0.00 174.94 172.40 3jvo s PRO 56 N 3.33 3.04 0.28 2.79 0.02 -1.26 -4.84 135.00 138.35 3jvo s PRO 56 Ca 0.55 1.46 -0.02 0.00 0.02 0.00 0.00 61.00 63.01 3jvo s PRO 56 Cb -0.22 -1.98 0.43 0.00 0.02 0.00 0.00 34.50 32.75 3jvo s PRO 56 CO 0.16 -1.07 1.90 0.00 -0.33 0.00 0.00 177.00 177.66 3jvo h ALA 57 N 0.49 1.42 -0.25 -1.55 0.00 -1.98 -1.65 119.26 115.74 3jvo h ALA 57 Ca -0.48 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.33 3jvo h ALA 57 Cb 1.25 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3jvo h ALA 57 CO 0.55 0.44 -0.16 0.00 0.00 0.00 0.00 179.25 180.09 3jvo h ALA 58 N 1.46 1.27 -0.34 0.00 0.00 -2.00 -1.96 119.26 117.71 3jvo h ALA 58 Ca 0.41 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 3jvo h ALA 58 Cb 0.13 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3jvo h ALA 58 CO -0.15 0.48 -0.31 0.28 0.00 0.00 0.00 179.25 179.55 3jvo h VAL 59 N 0.39 1.28 -0.83 0.00 2.07 -1.70 -2.28 116.25 115.19 3jvo h VAL 59 Ca 0.07 -1.45 0.04 0.00 0.82 0.00 0.00 66.70 66.18 3jvo h VAL 59 Cb 0.51 1.36 -0.05 0.00 -1.52 0.00 0.00 31.29 31.58 3jvo h VAL 59 CO 0.03 0.48 0.52 0.11 0.02 0.00 0.00 177.57 178.73 3jvo h LYS 60 N 0.62 0.97 -0.60 1.57 1.57 -0.82 -1.28 116.57 118.60 3jvo h LYS 60 Ca 0.07 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3jvo h LYS 60 Cb 0.83 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.90 3jvo h LYS 60 CO 0.07 0.64 0.32 0.78 -0.57 0.00 0.00 179.45 180.69 3jvo h GLY 61 N 1.00 0.90 1.12 3.86 0.00 -1.14 -1.26 103.07 107.54 3jvo h GLY 61 Ca 0.34 -0.42 -0.03 0.00 0.00 0.00 0.00 47.33 47.22 3jvo h GLY 61 CO -0.13 0.40 0.39 0.00 0.00 0.00 0.00 176.54 177.20 3jvo h ALA 62 N 1.14 1.19 -0.54 3.60 0.00 -1.06 -2.24 119.26 121.35 3jvo h ALA 62 Ca 0.21 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 3jvo h ALA 62 Cb 0.06 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 3jvo h ALA 62 CO -0.03 0.62 0.16 0.28 0.00 0.00 0.00 179.25 180.28 3jvo h VAL 63 N 1.13 1.24 -0.79 0.00 2.07 -0.87 -0.37 116.25 118.66 3jvo h VAL 63 Ca 0.28 -0.81 0.02 0.00 0.82 0.00 0.00 66.70 67.01 3jvo h VAL 63 Cb 0.10 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 3jvo h VAL 63 CO -0.04 0.30 0.52 -0.07 0.02 0.00 0.00 177.57 178.30 3jvo h LEU 64 N 0.75 0.88 -0.49 2.57 3.38 -1.00 0.80 115.31 122.20 3jvo h LEU 64 Ca 0.17 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 3jvo h LEU 64 Cb 0.29 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3jvo h LEU 64 CO -0.00 0.63 0.10 -0.07 0.09 0.00 0.00 178.44 179.19 3jvo h LEU 65 N 1.04 0.76 -0.24 1.67 3.38 -1.08 -0.70 115.31 120.14 3jvo h LEU 65 Ca 0.30 -0.24 -0.18 0.00 0.09 0.00 0.00 57.88 57.84 3jvo h LEU 65 Cb -0.08 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.48 3jvo h LEU 65 CO -0.08 0.80 -0.57 0.58 0.09 0.00 0.00 178.44 179.27 3jvo h VAL 66 N 0.68 1.29 -0.29 1.22 2.07 -0.92 -2.38 116.25 117.91 3jvo h VAL 66 Ca 0.15 -1.76 0.03 0.00 0.82 0.00 0.00 66.70 65.94 3jvo h VAL 66 Cb 0.35 1.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 3jvo h VAL 66 CO 0.00 0.57 0.10 0.15 0.02 0.00 0.00 177.57 178.41 3jvo h PHE 67 N 0.56 0.18 -0.22 1.57 3.57 -0.76 -2.96 116.94 118.87 3jvo h PHE 67 Ca -0.00 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.41 3jvo h PHE 67 Cb 1.18 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.87 3jvo h PHE 67 CO 0.08 0.08 -0.31 0.00 -2.23 0.00 0.00 178.31 175.93 3jvo h ALA 68 N 1.18 1.06 0.00 2.41 0.00 -1.04 -2.11 119.26 120.77 3jvo h ALA 68 Ca 0.13 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3jvo h ALA 68 Cb 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3jvo h ALA 68 CO -0.13 0.58 0.00 -3.47 0.00 0.00 0.00 179.25 176.23 3jvo n ASP 69 N -4.09 0.00 0.00 0.00 2.03 -0.90 -1.21 116.55 112.38 3jvo n ASP 69 Ca -0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.30 3jvo n ASP 69 Cb 0.44 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.84 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 -0.01 -0.67 7.35 -0.79 -0.25 117.46 123.78 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 -3.92 -4.13 -0.58 -0.35 -4.74 120.64 107.55 3jvo n GLU 72 Ca 0.00 0.23 -0.31 0.00 -0.42 0.00 0.00 57.16 56.66 3jvo n GLU 72 Cb 0.00 -1.76 -0.15 0.00 -0.57 0.00 0.00 31.44 28.96 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 -2.73 3.10 -2.47 -0.32 3.76 0.65 -4.99 115.29 112.29 3jvo s HIS 73 Ca -0.05 -2.68 0.22 0.00 -0.15 0.00 0.00 55.06 52.40 3jvo s HIS 73 Cb 0.08 -2.56 0.10 0.00 1.11 0.00 0.00 32.58 31.32 3jvo s HIS 73 CO 0.82 -0.90 1.15 0.54 -0.85 0.00 0.00 174.74 175.50 3jvo n ARG 74 N 4.23 1.81 -4.87 1.40 1.74 -1.26 -4.94 116.66 114.78 3jvo n ARG 74 Ca 0.03 -1.50 -0.30 0.00 -0.77 0.00 0.00 57.85 55.31 3jvo n ARG 74 Cb 0.40 -1.43 -0.14 0.00 -1.02 0.00 0.00 32.46 30.27 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 -2.07 2.19 0.37 0.55 -4.23 -1.26 -5.03 115.64 106.17 3jvo s THR 75 Ca 0.23 -1.39 0.39 0.00 -1.18 0.00 0.00 61.69 59.74 3jvo s THR 75 Cb 0.18 -1.86 0.40 0.00 1.34 0.00 0.00 72.50 72.56 3jvo s THR 75 CO 0.38 0.36 2.17 0.00 -0.54 0.00 0.00 174.62 176.99 3jvo h ALA 76 N 4.74 1.00 -3.53 3.99 0.00 -2.06 -3.42 119.26 119.99 3jvo h ALA 76 Ca -0.47 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.12 3jvo h ALA 76 Cb 1.14 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 18.69 3jvo h ALA 76 CO 0.44 0.00 -0.75 -0.65 0.00 0.00 0.00 179.25 178.28 3jvo s GLN 77 N -3.92 0.58 0.12 0.00 -0.21 -1.26 -5.17 119.66 109.80 3jvo s GLN 77 Ca -0.03 -0.58 0.05 0.00 0.02 0.00 0.00 55.36 54.83 3jvo s GLN 77 Cb 0.11 -0.47 -0.04 0.00 1.00 0.00 0.00 33.01 33.61 3jvo s GLN 77 CO 0.43 0.11 -0.12 -1.54 -2.12 0.00 0.00 175.29 172.05 3jvo s SER 78 N -1.02 1.77 0.38 5.90 1.04 -1.26 -5.03 113.70 115.48 3jvo s SER 78 Ca -0.04 -0.84 0.20 0.00 0.48 0.00 0.00 55.95 55.76 3jvo s SER 78 Cb -0.07 -0.03 0.58 0.00 0.10 0.00 0.00 66.02 66.59 3jvo s SER 78 CO 0.00 -0.21 1.68 -0.33 0.98 0.00 0.00 173.24 175.36 3jvo h GLU 79 N 3.44 0.00 -5.41 4.02 3.07 -2.02 -3.43 114.58 114.25 3jvo h GLU 79 Ca -0.38 0.00 -0.65 0.00 -0.50 0.00 0.00 59.36 57.83 3jvo h GLU 79 Cb 1.19 0.00 -0.22 0.00 -0.84 0.00 0.00 28.75 28.88 3jvo h GLU 79 CO 0.53 0.32 -0.69 0.14 -1.40 0.00 0.00 179.01 177.90 3jvo s VAL 80 N -3.39 3.66 0.28 3.13 -7.23 -1.26 -5.09 120.40 110.50 3jvo s VAL 80 Ca 0.02 -0.45 -0.29 0.00 -1.81 0.00 0.00 61.98 59.45 3jvo s VAL 80 Cb 0.09 -2.58 -0.14 0.00 0.56 0.00 0.00 36.38 34.32 3jvo s VAL 80 CO 0.68 0.52 1.17 0.00 -0.31 0.00 0.00 175.10 177.16 3jvo n GLN 81 N 3.35 1.66 -4.15 4.82 6.02 -1.26 -5.01 117.38 122.81 3jvo n GLN 81 Ca -0.18 0.58 -0.32 0.00 -0.01 0.00 0.00 57.00 57.08 3jvo n GLN 81 Cb 0.53 -2.07 -0.08 0.00 1.02 0.00 0.00 30.24 29.64 3jvo n GLN 81 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3jvo s LEU 82 N 0.01 3.70 -0.08 1.08 1.43 -1.26 -5.12 118.68 118.45 3jvo s LEU 82 Ca 0.61 0.02 0.04 0.00 -1.03 0.00 0.00 54.13 53.77 3jvo s LEU 82 Cb -0.67 -2.24 -0.01 0.00 0.03 0.00 0.00 46.19 43.30 3jvo s LEU 82 CO 0.58 0.24 -0.22 -0.31 0.23 0.00 0.00 176.35 176.87 3jvo s TYR 83 N -1.22 2.56 0.16 0.29 2.02 -1.26 -5.09 117.35 114.81 3jvo s TYR 83 Ca 0.24 -0.76 -0.32 0.00 -0.37 0.00 0.00 57.07 55.86 3jvo s TYR 83 Cb -0.12 -1.68 -0.10 0.00 -0.40 0.00 0.00 41.96 39.66 3jvo s TYR 83 CO 0.15 -0.24 1.64 -2.00 -1.57 0.00 0.00 175.55 173.53 3jvo s GLU 84 N 0.03 4.18 -0.32 -0.62 2.12 -1.26 -4.97 118.70 117.86 3jvo s GLU 84 Ca -0.08 2.45 -0.22 0.00 0.36 0.00 0.00 54.97 57.48 3jvo s GLU 84 Cb -0.15 -3.22 -0.00 0.00 0.26 0.00 0.00 34.13 31.01 3jvo s GLU 84 CO 0.05 -0.68 0.70 1.21 -0.54 0.00 0.00 175.26 176.00 3jvo s ASN 85 N 1.44 6.55 0.53 -1.70 3.84 -1.26 -4.95 114.94 119.40 3jvo s ASN 85 Ca 0.73 0.47 0.30 0.00 0.21 0.00 0.00 52.86 54.57 3jvo s ASN 85 Cb -0.45 -2.36 1.48 0.00 -0.55 0.00 0.00 41.25 39.37 3jvo s ASN 85 CO 0.32 -0.57 2.06 0.00 -2.79 0.00 0.00 177.10 176.12 3jvo h ALA 86 N 8.23 1.17 -0.80 1.71 0.00 -2.02 -3.05 119.26 124.50 3jvo h ALA 86 Ca -0.26 -0.09 0.12 0.00 0.00 0.00 0.00 54.91 54.68 3jvo h ALA 86 Cb 1.11 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 18.80 3jvo h ALA 86 CO 0.85 0.13 0.41 0.00 0.00 0.00 0.00 179.25 180.63 3jvo h ALA 87 N 1.90 1.17 -0.20 0.00 0.00 -1.98 -1.20 119.26 118.94 3jvo h ALA 87 Ca -0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3jvo h ALA 87 Cb 0.38 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 3jvo h ALA 87 CO 0.01 -0.06 0.13 0.00 0.00 0.00 0.00 179.25 179.33 3jvo h ALA 88 N 1.51 0.25 0.02 0.00 0.00 -1.92 -2.92 119.26 116.20 3jvo h ALA 88 Ca 0.42 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 55.12 3jvo h ALA 88 Cb 0.53 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3jvo h ALA 88 CO -0.32 -0.28 -0.92 1.05 0.00 0.00 0.00 179.25 178.78 3jvo h GLU 89 N 0.26 0.16 -4.96 0.00 4.11 -1.71 -3.44 114.58 109.00 3jvo h GLU 89 Ca 0.08 -0.19 -0.44 0.00 0.07 0.00 0.00 59.36 58.87 3jvo h GLU 89 Cb -0.02 0.06 0.07 0.00 0.50 0.00 0.00 28.75 29.36 3jvo h GLU 89 CO -0.03 0.97 1.24 0.54 0.07 0.00 0.00 179.01 181.81 3jvo n ARG 90 N -3.60 0.56 0.00 1.06 1.74 -0.47 -4.56 116.66 111.38 3jvo n ARG 90 Ca -0.03 -1.53 0.00 0.00 -0.77 0.00 0.00 57.85 55.52 3jvo n ARG 90 Cb 0.84 -3.06 0.00 0.00 -1.02 0.00 0.00 32.46 29.22 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 11.76 0.00 0.35 -1.55 7.35 -1.26 -4.81 117.46 129.29 3jvo n PHE 93 Ca 0.46 0.00 0.04 0.00 -0.76 0.00 0.00 57.45 57.19 3jvo n PHE 93 Cb 0.43 0.00 0.21 0.00 0.35 0.00 0.00 39.48 40.47 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 1.21 -1.41 -2.13 0.13 -1.26 -1.98 119.36 113.91 3jvo n ILE 94 Ca 0.00 0.30 0.04 0.00 -1.10 0.00 0.00 62.75 61.99 3jvo n ILE 94 Cb 0.00 -1.15 0.05 0.00 -0.84 0.00 0.00 39.64 37.71 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 -1.44 0.00 -2.31 9.51 8.25 -1.26 -5.06 115.22 122.91 3jvo n HIS 95 Ca 0.03 -0.43 -0.42 0.00 -0.26 0.00 0.00 57.72 56.65 3jvo n HIS 95 Cb 0.10 -0.08 -0.03 0.00 1.12 0.00 0.00 29.99 31.09 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 -1.19 4.41 0.00 -0.41 3.52 -0.84 -4.86 118.95 119.57 3jvo s ARG 96 Ca 0.12 1.93 0.18 0.00 -0.13 0.00 0.00 55.73 57.83 3jvo s ARG 96 Cb 0.11 -3.27 1.08 0.00 -1.56 0.00 0.00 34.95 31.31 3jvo s ARG 96 CO 0.01 -0.27 1.48 -1.71 -0.81 0.00 0.00 175.30 174.00