#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 5.05 -0.22 0.00 1.01 -1.26 -5.05 121.20 120.72 3jvo s ILE 3 Ca 0.00 0.98 -0.26 0.00 0.00 0.00 0.00 60.65 61.37 3jvo s ILE 3 Cb 0.00 -3.80 -0.00 0.00 0.01 0.00 0.00 42.46 38.66 3jvo s ILE 3 CO 0.00 0.45 0.87 -0.62 0.00 0.00 0.00 174.94 175.64 3jvo s ASP 4 N -0.24 6.91 0.40 3.58 -1.08 -1.26 -4.96 116.67 120.02 3jvo s ASP 4 Ca 0.26 1.13 0.13 0.00 -0.52 0.00 0.00 52.55 53.55 3jvo s ASP 4 Cb -0.16 -2.46 0.96 0.00 -1.46 0.00 0.00 42.92 39.79 3jvo s ASP 4 CO 0.13 -0.52 1.90 1.62 0.52 0.00 0.00 175.17 178.82 3jvo h VAL 5 N 5.39 0.82 0.00 1.11 3.04 -1.93 -0.10 116.25 124.58 3jvo h VAL 5 Ca -0.23 -0.18 0.00 0.00 -1.01 0.00 0.00 66.70 65.27 3jvo h VAL 5 Cb 1.09 0.25 0.00 0.00 -2.01 0.00 0.00 31.29 30.62 3jvo h VAL 5 CO 0.89 0.10 0.00 0.18 -1.01 0.00 0.00 177.57 177.72 3jvo n LEU 6 N -4.51 0.00 0.16 3.16 4.77 -1.25 -0.80 117.00 118.53 3jvo n LEU 6 Ca 0.15 0.50 0.12 0.00 -0.03 0.00 0.00 56.01 56.75 3jvo n LEU 6 Cb 0.49 -0.50 0.22 0.00 -2.33 0.00 0.00 43.42 41.30 3jvo n LEU 6 CO 0.32 -0.16 0.70 0.44 -1.33 0.00 0.00 177.39 177.35 3jvo h ASP 7 N 0.00 0.00 0.01 -1.43 3.32 -1.42 -3.35 116.42 113.55 3jvo h ASP 7 Ca 0.00 -0.02 -0.35 0.00 0.02 0.00 0.00 57.03 56.68 3jvo h ASP 7 Cb 0.34 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.84 3jvo h ASP 7 CO 0.00 0.01 -1.90 0.52 -1.72 0.00 0.00 179.24 176.15 3jvo n VAL 8 N -2.72 1.54 -3.90 -1.35 0.31 -0.15 -4.81 118.33 107.24 3jvo n VAL 8 Ca 0.04 -0.23 -0.22 0.00 -0.01 0.00 0.00 64.34 63.92 3jvo n VAL 8 Cb 0.50 -1.94 -0.17 0.00 -0.91 0.00 0.00 33.84 31.32 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 0.44 0.66 2.52 1.01 0.02 -5.07 121.20 118.33 3jvo s ILE 9 Ca -0.33 0.03 -0.16 0.00 0.00 0.00 0.00 60.65 60.19 3jvo s ILE 9 Cb 0.10 -0.54 0.00 0.00 0.01 0.00 0.00 42.46 42.03 3jvo s ILE 9 CO 0.55 0.25 1.15 -0.94 0.00 0.00 0.00 174.94 175.95 3jvo s SER 10 N 1.58 4.89 0.23 3.58 1.04 -1.26 -3.94 113.70 119.82 3jvo s SER 10 Ca -0.01 2.17 -0.07 0.00 0.48 0.00 0.00 55.95 58.53 3jvo s SER 10 Cb -0.13 -2.57 0.34 0.00 0.10 0.00 0.00 66.02 63.76 3jvo s SER 10 CO -0.04 -1.78 1.79 0.25 0.98 0.00 0.00 173.24 174.44 3jvo h LEU 11 N 0.14 0.51 -1.15 2.42 5.85 -1.95 -1.48 115.31 119.64 3jvo h LEU 11 Ca -0.48 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.28 3jvo h LEU 11 Cb 1.27 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.23 3jvo h LEU 11 CO 0.53 0.29 0.37 0.77 -0.34 0.00 0.00 178.44 180.06 3jvo h SER 12 N 0.64 0.86 -0.56 1.25 4.64 -1.99 -0.71 113.55 117.68 3jvo h SER 12 Ca 0.36 -0.07 -0.03 0.00 -0.47 0.00 0.00 61.79 61.57 3jvo h SER 12 Cb 0.35 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.20 3jvo h SER 12 CO -0.26 0.70 0.22 -0.07 -0.87 0.00 0.00 176.83 176.55 3jvo h LEU 13 N 0.96 0.78 -0.89 5.97 3.38 -1.76 -1.90 115.31 121.84 3jvo h LEU 13 Ca 0.24 -0.17 0.09 0.00 0.09 0.00 0.00 57.88 58.13 3jvo h LEU 13 Cb 0.04 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.52 3jvo h LEU 13 CO -0.04 0.74 0.54 -0.26 0.09 0.00 0.00 178.44 179.51 3jvo h PHE 14 N 0.77 0.98 -0.28 1.13 0.04 -0.48 -0.96 116.94 118.14 3jvo h PHE 14 Ca 0.19 0.03 -0.10 0.00 2.80 0.00 0.00 57.97 60.89 3jvo h PHE 14 Cb 0.21 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 38.04 3jvo h PHE 14 CO 0.01 0.43 -0.23 0.87 -0.60 0.00 0.00 178.31 178.79 3jvo h LYS 15 N 0.91 0.53 -0.27 1.51 1.57 -0.89 -2.93 116.57 117.01 3jvo h LYS 15 Ca 0.42 -0.20 -0.14 0.00 -1.87 0.00 0.00 60.65 58.86 3jvo h LYS 15 Cb 0.33 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 3jvo h LYS 15 CO -0.23 0.73 -0.41 1.96 -0.57 0.00 0.00 179.45 180.93 3jvo h GLN 16 N 0.47 0.64 -0.72 3.15 4.20 -0.63 0.55 115.11 122.77 3jvo h GLN 16 Ca 0.07 -0.33 0.15 0.00 0.06 0.00 0.00 58.65 58.60 3jvo h GLN 16 Cb 0.65 0.01 -0.10 0.00 0.30 0.00 0.00 27.48 28.34 3jvo h GLN 16 CO 0.05 0.93 0.20 0.37 -0.67 0.00 0.00 178.83 179.71 3jvo h GLN 17 N 0.52 0.30 -0.68 1.46 5.75 -1.01 -2.25 115.11 119.20 3jvo h GLN 17 Ca 0.04 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.52 3jvo h GLN 17 Cb 0.93 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.41 3jvo h GLN 17 CO 0.08 0.20 0.00 0.44 -2.65 0.00 0.00 178.83 176.90 3jvo n ILE 18 N -5.12 1.10 -4.04 2.39 -5.35 -1.16 -4.96 119.36 102.23 3jvo n ILE 18 Ca 0.13 -0.97 -0.28 0.00 -0.27 0.00 0.00 62.75 61.37 3jvo n ILE 18 Cb 0.43 0.38 -0.03 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 1.42 -3.06 -4.08 6.28 -0.58 -0.65 -4.95 120.64 115.03 3jvo n GLU 19 Ca 0.23 0.37 -0.35 0.00 -0.42 0.00 0.00 57.16 56.99 3jvo n GLU 19 Cb 0.64 -4.54 -0.12 0.00 -0.57 0.00 0.00 31.44 26.84 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 -3.88 3.05 -0.13 -0.32 5.36 0.09 -5.01 117.98 117.14 3jvo s PHE 20 Ca 0.14 -0.42 0.13 0.00 -0.96 0.00 0.00 56.93 55.82 3jvo s PHE 20 Cb -0.08 -2.08 -0.24 0.00 -0.34 0.00 0.00 43.02 40.29 3jvo s PHE 20 CO 0.91 -0.21 0.31 0.39 -1.46 0.00 0.00 175.22 175.16 3jvo n GLU 21 N 4.18 0.67 -1.69 10.12 -0.58 -1.26 -4.64 120.64 127.44 3jvo n GLU 21 Ca -0.17 0.15 -0.32 0.00 -0.42 0.00 0.00 57.16 56.39 3jvo n GLU 21 Cb 0.52 -1.65 0.05 0.00 -0.57 0.00 0.00 31.44 29.79 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 -2.54 2.77 -0.20 3.49 8.01 -1.26 -4.98 118.70 123.99 3jvo s GLU 22 Ca -0.11 1.30 0.16 0.00 0.01 0.00 0.00 54.97 56.33 3jvo s GLU 22 Cb 0.07 -1.95 0.59 0.00 -4.31 0.00 0.00 34.13 28.53 3jvo s GLU 22 CO 0.81 -1.26 1.50 -0.25 0.01 0.00 0.00 175.26 176.06 3jvo n ASP 23 N -2.62 4.18 -0.73 -0.19 9.92 -1.26 -4.60 116.55 121.25 3jvo n ASP 23 Ca 0.10 -3.05 0.07 0.00 -0.53 0.00 0.00 54.79 51.38 3jvo n ASP 23 Cb 0.52 -0.58 0.21 0.00 -0.64 0.00 0.00 41.12 40.63 3jvo n ASP 23 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 3jvo n ASP 24 N -0.34 3.42 -0.55 -2.24 5.75 -1.26 -4.29 116.55 117.04 3jvo n ASP 24 Ca 0.24 -2.67 0.05 0.00 -0.01 0.00 0.00 54.79 52.40 3jvo n ASP 24 Cb 0.97 -0.42 0.08 0.00 -1.03 0.00 0.00 41.12 40.72 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 -0.25 0.62 -0.31 0.11 5.12 -1.26 -4.89 116.66 115.80 3jvo n ARG 25 Ca 0.17 -1.98 -0.04 0.00 -1.93 0.00 0.00 57.85 54.07 3jvo n ARG 25 Cb 0.71 -0.88 0.08 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 0.30 0.97 -0.19 0.55 5.19 -1.90 0.24 116.42 121.59 3jvo h ASP 26 Ca -0.04 -0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.32 3jvo h ASP 26 Cb 1.30 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 40.56 3jvo h ASP 26 CO 0.02 0.73 0.07 -0.33 -3.12 0.00 0.00 179.24 176.60 3jvo h GLU 27 N 1.14 0.30 -0.11 3.56 5.08 -1.94 -0.65 114.58 121.96 3jvo h GLU 27 Ca 0.30 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.60 3jvo h GLU 27 Cb -0.10 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 3jvo h GLU 27 CO -0.06 0.39 0.06 1.25 -1.00 0.00 0.00 179.01 179.65 3jvo h LEU 28 N 0.14 0.13 -1.02 1.33 5.85 -1.88 -1.11 115.31 118.74 3jvo h LEU 28 Ca 0.06 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.74 3jvo h LEU 28 Cb 0.21 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.16 3jvo h LEU 28 CO -0.00 0.17 0.66 0.40 -0.34 0.00 0.00 178.44 179.32 3jvo h ILE 29 N 0.09 1.20 -0.69 4.05 2.04 -0.97 -1.48 117.51 121.75 3jvo h ILE 29 Ca 0.04 -0.44 -0.07 0.00 1.00 0.00 0.00 64.86 65.39 3jvo h ILE 29 Cb 0.06 -0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 35.91 3jvo h ILE 29 CO -0.01 0.24 0.18 0.74 0.00 0.00 0.00 178.15 179.30 3jvo h THR 30 N 1.29 1.26 -0.25 -0.27 2.02 -0.86 -0.72 112.91 115.38 3jvo h THR 30 Ca 0.39 -0.95 0.00 0.00 0.77 0.00 0.00 66.41 66.63 3jvo h THR 30 Cb -0.05 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 66.88 3jvo h THR 30 CO -0.11 0.36 0.16 0.25 0.37 0.00 0.00 175.52 176.55 3jvo h LEU 31 N 1.04 0.27 -0.61 2.58 6.46 -0.53 0.50 115.31 125.02 3jvo h LEU 31 Ca 0.22 -0.00 0.02 0.00 -0.12 0.00 0.00 57.88 58.00 3jvo h LEU 31 Cb 0.35 -0.06 -0.04 0.00 -0.73 0.00 0.00 40.66 40.18 3jvo h LEU 31 CO 0.00 0.19 0.38 1.88 -0.62 0.00 0.00 178.44 180.27 3jvo h TYR 32 N 0.32 0.70 -0.42 1.25 0.05 -1.03 0.12 116.97 117.97 3jvo h TYR 32 Ca 0.09 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.86 3jvo h TYR 32 Cb -0.03 -0.23 -0.02 0.00 1.01 0.00 0.00 36.73 37.46 3jvo h TYR 32 CO -0.07 0.41 0.15 0.00 -1.05 0.00 0.00 178.16 177.60 3jvo h ALA 33 N 1.26 0.55 -0.64 3.88 0.00 -0.77 0.10 119.26 123.64 3jvo h ALA 33 Ca 0.24 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3jvo h ALA 33 Cb 0.01 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3jvo h ALA 33 CO -0.09 0.18 0.31 1.96 0.00 0.00 0.00 179.25 181.61 3jvo h GLN 34 N 0.54 0.92 -0.31 0.00 4.20 -0.68 -0.71 115.11 119.08 3jvo h GLN 34 Ca 0.14 -0.14 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 3jvo h GLN 34 Cb 0.23 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 3jvo h GLN 34 CO -0.01 0.74 0.06 0.00 -0.67 0.00 0.00 178.83 178.95 3jvo h ALA 35 N 1.14 0.41 -0.32 3.87 0.00 -0.43 0.16 119.26 124.09 3jvo h ALA 35 Ca 0.22 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3jvo h ALA 35 Cb 0.12 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3jvo h ALA 35 CO -0.03 0.10 0.19 0.00 0.00 0.00 0.00 179.25 179.51 3jvo h ALA 36 N 0.89 0.39 -0.05 0.00 0.00 -0.73 0.51 119.26 120.27 3jvo h ALA 36 Ca 0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3jvo h ALA 36 Cb 0.33 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 3jvo h ALA 36 CO 0.00 -0.17 0.02 0.35 0.00 0.00 0.00 179.25 179.45 3jvo h PHE 37 N 0.39 0.08 -0.49 0.00 3.57 -1.04 -0.71 116.94 118.73 3jvo h PHE 37 Ca 0.12 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.71 3jvo h PHE 37 Cb -0.01 -0.02 -0.08 0.00 2.79 0.00 0.00 35.95 38.63 3jvo h PHE 37 CO -0.07 0.21 0.04 0.22 -2.23 0.00 0.00 178.31 176.48 3jvo h ASP 38 N -0.08 -0.13 -0.09 0.41 3.58 -0.87 -2.64 116.42 116.60 3jvo h ASP 38 Ca 0.02 0.11 0.03 0.00 0.42 0.00 0.00 57.03 57.60 3jvo h ASP 38 Cb 0.17 0.17 -0.03 0.00 1.72 0.00 0.00 39.33 41.36 3jvo h ASP 38 CO -0.00 -0.03 -0.09 0.22 -2.88 0.00 0.00 179.24 176.46 3jvo h TYR 39 N 0.16 -0.21 0.00 0.28 3.20 -0.61 -1.62 116.97 118.17 3jvo h TYR 39 Ca 0.25 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.13 3jvo h TYR 39 Cb 0.36 0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.74 3jvo h TYR 39 CO -0.28 -0.13 0.00 0.00 -1.64 0.00 0.00 178.16 176.11 3jvo n ARG 42 N 0.74 0.00 -0.13 0.00 3.00 -0.61 -0.98 116.66 118.68 3jvo n ARG 42 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.85 57.76 3jvo n ARG 42 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.71 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 0.48 -0.21 -1.55 7.01 -1.56 -3.05 115.95 117.07 3jvo h TRP 43 Ca 0.00 0.01 -0.17 0.00 2.11 0.00 0.00 58.89 60.85 3jvo h TRP 43 Cb 0.00 -0.16 -0.00 0.00 -2.10 0.00 0.00 29.16 26.90 3jvo h TRP 43 CO 0.00 0.30 -0.55 0.00 -2.79 0.00 0.00 178.44 175.39 3jvo n ASP 45 N -3.97 -1.64 -4.23 0.00 -0.08 -1.16 -1.46 116.55 104.02 3jvo n ASP 45 Ca -0.03 -0.84 -0.42 0.00 -1.51 0.00 0.00 54.79 51.99 3jvo n ASP 45 Cb 0.61 -3.89 -0.08 0.00 2.34 0.00 0.00 41.12 40.10 3jvo n ASP 45 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 3jvo s GLU 46 N -6.16 2.57 0.49 -0.67 2.56 -1.26 -4.45 118.70 111.77 3jvo s GLU 46 Ca 0.11 -1.73 0.32 0.00 0.00 0.00 0.00 54.97 53.67 3jvo s GLU 46 Cb -0.06 -3.98 1.40 0.00 2.00 0.00 0.00 34.13 33.49 3jvo s GLU 46 CO 0.83 -1.20 1.95 -1.35 -0.56 0.00 0.00 175.26 174.93 3jvo h PRO 47 N 8.52 0.00 0.00 4.30 0.11 -2.01 -2.79 132.00 140.14 3jvo h PRO 47 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 3jvo h PRO 47 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3jvo h PRO 47 CO 0.88 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.67 3jvo n ALA 48 N -2.00 1.62 -3.00 -0.75 0.00 -1.26 -4.49 120.51 110.63 3jvo n ALA 48 Ca 0.00 -0.01 -0.44 0.00 0.00 0.00 0.00 53.44 52.99 3jvo n ALA 48 Cb 0.25 -1.26 -0.03 0.00 0.00 0.00 0.00 19.45 18.41 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 -3.08 3.16 -0.09 0.00 0.51 -1.05 -4.87 118.94 113.52 3jvo s TRP 49 Ca 0.06 -1.35 -0.02 0.00 -2.12 0.00 0.00 56.10 52.66 3jvo s TRP 49 Cb 0.09 -4.19 -0.26 0.00 -0.81 0.00 0.00 33.47 28.30 3jvo s TRP 49 CO 0.28 -1.41 0.50 0.87 -0.51 0.00 0.00 176.95 176.68 3jvo h LYS 50 N 8.79 0.22 -5.32 4.98 6.56 -1.90 -3.49 116.57 126.42 3jvo h LYS 50 Ca 0.06 -0.37 -0.49 0.00 -1.06 0.00 0.00 60.65 58.79 3jvo h LYS 50 Cb 1.04 0.14 -0.14 0.00 -0.57 0.00 0.00 32.23 32.70 3jvo h LYS 50 CO 1.06 1.06 -0.62 0.14 -2.06 0.00 0.00 179.45 179.03 3jvo s VAL 51 N -2.57 1.35 0.23 0.50 -7.23 -1.26 -4.75 120.40 106.66 3jvo s VAL 51 Ca -0.17 -2.02 -0.09 0.00 -1.81 0.00 0.00 61.98 57.89 3jvo s VAL 51 Cb 0.07 -2.73 0.23 0.00 0.56 0.00 0.00 36.38 34.51 3jvo s VAL 51 CO 0.80 -0.08 1.65 0.00 -0.31 0.00 0.00 175.10 177.16 3jvo h ALA 52 N 2.13 0.69 0.00 1.32 0.00 -1.92 -0.43 119.26 121.05 3jvo h ALA 52 Ca -0.41 0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3jvo h ALA 52 Cb 1.24 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.39 3jvo h ALA 52 CO 0.70 -0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.55 3jvo n ALA 53 N -2.85 1.42 0.21 0.00 0.00 -1.26 -1.96 120.51 116.08 3jvo n ALA 53 Ca 0.11 0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.69 3jvo n ALA 53 Cb 0.41 -1.25 0.37 0.00 0.00 0.00 0.00 19.45 18.98 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 -2.78 0.00 3.32 -1.47 -3.45 116.42 112.04 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 0.19 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 3jvo h ASP 54 CO 0.00 0.25 0.99 -0.63 -1.72 0.00 0.00 179.24 178.13 3jvo s ILE 55 N -3.51 3.96 0.66 0.35 -1.09 -0.83 -4.94 121.20 115.81 3jvo s ILE 55 Ca 0.02 1.16 -0.15 0.00 -2.23 0.00 0.00 60.65 59.44 3jvo s ILE 55 Cb 0.09 -3.76 0.00 0.00 -1.58 0.00 0.00 42.46 37.21 3jvo s ILE 55 CO 0.65 -0.12 1.12 -2.84 -1.23 0.00 0.00 174.94 172.52 3jvo s PRO 56 N 3.79 2.77 0.35 2.79 0.02 -1.26 -4.87 135.00 138.59 3jvo s PRO 56 Ca 0.63 1.41 0.04 0.00 0.02 0.00 0.00 61.00 63.10 3jvo s PRO 56 Cb -0.27 -1.94 0.65 0.00 0.02 0.00 0.00 34.50 32.96 3jvo s PRO 56 CO 0.22 -1.28 1.96 0.00 -0.33 0.00 0.00 177.00 177.56 3jvo h ALA 57 N 0.03 1.49 -0.39 -1.55 0.00 -1.99 -2.13 119.26 114.71 3jvo h ALA 57 Ca -0.47 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.25 3jvo h ALA 57 Cb 1.25 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 3jvo h ALA 57 CO 0.54 0.41 -0.11 0.00 0.00 0.00 0.00 179.25 180.08 3jvo h ALA 58 N 1.57 1.07 -0.28 0.00 0.00 -2.00 -1.40 119.26 118.22 3jvo h ALA 58 Ca 0.17 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 54.60 3jvo h ALA 58 Cb 0.10 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3jvo h ALA 58 CO -0.02 0.57 -0.51 0.28 0.00 0.00 0.00 179.25 179.57 3jvo h VAL 59 N 0.63 1.29 -0.71 0.00 2.07 -1.78 -2.11 116.25 115.64 3jvo h VAL 59 Ca 0.11 -1.70 0.09 0.00 0.82 0.00 0.00 66.70 66.02 3jvo h VAL 59 Cb 0.56 1.60 -0.07 0.00 -1.52 0.00 0.00 31.29 31.86 3jvo h VAL 59 CO 0.03 0.55 0.37 0.11 0.02 0.00 0.00 177.57 178.65 3jvo h LYS 60 N 0.62 0.62 -0.40 1.57 1.57 -1.07 0.13 116.57 119.61 3jvo h LYS 60 Ca 0.02 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.80 3jvo h LYS 60 Cb 1.09 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 33.23 3jvo h LYS 60 CO 0.11 0.41 0.20 0.78 -0.57 0.00 0.00 179.45 180.38 3jvo h GLY 61 N 0.63 0.55 0.96 3.86 0.00 -0.86 -1.26 103.07 106.95 3jvo h GLY 61 Ca 0.35 -0.14 0.01 0.00 0.00 0.00 0.00 47.33 47.54 3jvo h GLY 61 CO -0.25 0.11 0.35 0.00 0.00 0.00 0.00 176.54 176.74 3jvo h ALA 62 N 1.21 0.69 -0.55 3.60 0.00 -0.87 -2.39 119.26 120.95 3jvo h ALA 62 Ca 0.17 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.10 3jvo h ALA 62 Cb 0.07 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 3jvo h ALA 62 CO -0.12 0.09 0.27 0.28 0.00 0.00 0.00 179.25 179.78 3jvo h VAL 63 N 0.70 0.93 -0.90 0.00 2.07 -0.59 -1.13 116.25 117.34 3jvo h VAL 63 Ca 0.21 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 3jvo h VAL 63 Cb -0.05 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.05 3jvo h VAL 63 CO -0.06 0.09 0.54 -0.07 0.02 0.00 0.00 177.57 178.09 3jvo h LEU 64 N 0.52 1.08 -0.31 2.57 3.38 -0.96 -0.34 115.31 121.26 3jvo h LEU 64 Ca 0.25 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 58.06 3jvo h LEU 64 Cb 0.17 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3jvo h LEU 64 CO -0.18 0.83 -0.15 -0.07 0.09 0.00 0.00 178.44 178.96 3jvo h LEU 65 N 1.24 0.67 -0.37 1.67 3.38 -0.90 -0.90 115.31 120.11 3jvo h LEU 65 Ca 0.32 -0.41 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 3jvo h LEU 65 Cb -0.05 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 3jvo h LEU 65 CO -0.06 0.93 0.03 0.58 0.09 0.00 0.00 178.44 180.01 3jvo h VAL 66 N 0.41 1.25 -0.37 1.22 2.07 -1.09 -2.20 116.25 117.55 3jvo h VAL 66 Ca 0.07 -0.93 0.04 0.00 0.82 0.00 0.00 66.70 66.70 3jvo h VAL 66 Cb 0.68 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 3jvo h VAL 66 CO 0.05 0.31 0.12 0.15 0.02 0.00 0.00 177.57 178.22 3jvo h PHE 67 N 0.47 0.21 -0.20 1.57 3.57 -0.96 -2.79 116.94 118.80 3jvo h PHE 67 Ca 0.11 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.53 3jvo h PHE 67 Cb 0.42 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 3jvo h PHE 67 CO 0.03 0.08 -0.28 0.00 -2.23 0.00 0.00 178.31 175.91 3jvo h ALA 68 N 1.24 1.15 0.00 2.41 0.00 -1.04 -1.93 119.26 121.09 3jvo h ALA 68 Ca 0.17 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3jvo h ALA 68 Cb 0.15 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3jvo h ALA 68 CO -0.18 0.54 0.00 -3.47 0.00 0.00 0.00 179.25 176.14 3jvo n ASP 69 N -4.11 0.14 0.00 0.00 2.03 -0.84 -1.15 116.55 112.62 3jvo n ASP 69 Ca -0.01 -0.16 0.00 0.00 0.52 0.00 0.00 54.79 55.14 3jvo n ASP 69 Cb 0.41 -0.04 0.00 0.00 -0.72 0.00 0.00 41.12 40.77 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 0.64 0.00 0.03 -0.67 7.35 -0.73 0.22 117.46 124.30 3jvo n PHE 71 Ca 0.00 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.65 3jvo n PHE 71 Cb 0.03 0.00 -0.10 0.00 0.35 0.00 0.00 39.48 39.76 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 -4.38 -4.13 4.39 -1.42 -3.44 114.58 105.61 3jvo h GLU 72 Ca 0.00 0.00 -0.65 0.00 0.34 0.00 0.00 59.36 59.05 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 0.51 -0.72 -1.01 -1.16 0.00 0.00 179.01 176.64 3jvo s HIS 73 N -2.78 3.38 -0.68 4.33 3.76 0.13 -4.99 115.29 118.45 3jvo s HIS 73 Ca -0.02 -2.83 0.23 0.00 -0.15 0.00 0.00 55.06 52.29 3jvo s HIS 73 Cb 0.09 -2.72 0.09 0.00 1.11 0.00 0.00 32.58 31.15 3jvo s HIS 73 CO 0.81 -0.92 1.07 0.54 -0.85 0.00 0.00 174.74 175.40 3jvo n ARG 74 N 4.22 0.24 -4.37 1.40 5.12 -1.26 -4.95 116.66 117.06 3jvo n ARG 74 Ca 0.03 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.66 3jvo n ARG 74 Cb 0.41 -1.58 -0.12 0.00 -1.16 0.00 0.00 32.46 30.01 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 -3.16 2.65 0.01 0.55 -4.23 -1.26 -5.03 115.64 105.16 3jvo s THR 75 Ca 0.05 -1.55 0.29 0.00 -1.18 0.00 0.00 61.69 59.30 3jvo s THR 75 Cb 0.15 -2.19 0.34 0.00 1.34 0.00 0.00 72.50 72.14 3jvo s THR 75 CO 0.79 0.12 1.87 0.00 -0.54 0.00 0.00 174.62 176.86 3jvo h ALA 76 N 3.87 1.00 -4.08 3.99 0.00 -2.06 -3.41 119.26 118.55 3jvo h ALA 76 Ca -0.50 -0.06 -0.53 0.00 0.00 0.00 0.00 54.91 53.82 3jvo h ALA 76 Cb 1.17 -0.01 -0.27 0.00 0.00 0.00 0.00 17.79 18.68 3jvo h ALA 76 CO 0.44 0.08 -0.83 -0.65 0.00 0.00 0.00 179.25 178.29 3jvo s GLN 77 N -3.57 1.28 0.20 0.00 -0.21 -1.26 -5.16 119.66 110.94 3jvo s GLN 77 Ca 0.02 -0.76 0.08 0.00 0.02 0.00 0.00 55.36 54.71 3jvo s GLN 77 Cb 0.08 -1.30 -0.05 0.00 1.00 0.00 0.00 33.01 32.75 3jvo s GLN 77 CO 0.59 0.34 -0.14 -1.54 -2.12 0.00 0.00 175.29 172.42 3jvo s SER 78 N -0.86 2.57 0.05 5.90 1.04 -1.26 -5.03 113.70 116.12 3jvo s SER 78 Ca 0.06 -1.02 0.27 0.00 0.48 0.00 0.00 55.95 55.74 3jvo s SER 78 Cb -0.08 -0.14 0.98 0.00 0.10 0.00 0.00 66.02 66.89 3jvo s SER 78 CO 0.01 -0.17 1.78 -0.62 0.98 0.00 0.00 173.24 175.22 3jvo n GLU 79 N -0.38 0.08 -5.26 4.02 1.02 -1.26 -4.74 120.64 114.12 3jvo n GLU 79 Ca -0.08 0.05 -0.32 0.00 -0.02 0.00 0.00 57.16 56.80 3jvo n GLU 79 Cb 0.60 -1.58 -0.16 0.00 -0.02 0.00 0.00 31.44 30.28 3jvo n GLU 79 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3jvo s VAL 80 N -3.03 2.08 0.34 2.62 -7.23 -1.26 -5.11 120.40 108.81 3jvo s VAL 80 Ca 0.12 -1.06 -0.29 0.00 -1.81 0.00 0.00 61.98 58.95 3jvo s VAL 80 Cb 0.17 -1.75 -0.11 0.00 0.56 0.00 0.00 36.38 35.25 3jvo s VAL 80 CO 0.58 0.57 1.51 -1.58 -0.31 0.00 0.00 175.10 175.87 3jvo s GLN 81 N -0.16 4.13 -0.01 4.82 2.00 -1.26 -5.01 119.66 124.17 3jvo s GLN 81 Ca -0.04 2.55 -0.01 0.00 -2.00 0.00 0.00 55.36 55.86 3jvo s GLN 81 Cb -0.14 -3.00 -0.04 0.00 0.80 0.00 0.00 33.01 30.64 3jvo s GLN 81 CO 0.04 -0.55 0.13 -0.51 -0.50 0.00 0.00 175.29 173.90 3jvo s LEU 82 N -1.50 4.12 -0.06 3.68 1.43 -1.26 -5.11 118.68 119.97 3jvo s LEU 82 Ca 0.56 0.24 0.04 0.00 -1.03 0.00 0.00 54.13 53.94 3jvo s LEU 82 Cb -0.46 -2.42 -0.02 0.00 0.03 0.00 0.00 46.19 43.31 3jvo s LEU 82 CO 0.57 0.27 -0.19 -0.31 0.23 0.00 0.00 176.35 176.92 3jvo s TYR 83 N -1.25 2.59 0.14 0.29 2.02 -1.26 -5.09 117.35 114.79 3jvo s TYR 83 Ca 0.25 -0.47 -0.31 0.00 -0.37 0.00 0.00 57.07 56.17 3jvo s TYR 83 Cb -0.12 -1.64 -0.10 0.00 -0.40 0.00 0.00 41.96 39.70 3jvo s TYR 83 CO 0.16 -0.04 1.60 -2.00 -1.57 0.00 0.00 175.55 173.70 3jvo s GLU 84 N -0.33 4.21 -0.44 -0.62 2.12 -1.26 -4.97 118.70 117.41 3jvo s GLU 84 Ca 0.02 2.37 -0.24 0.00 0.36 0.00 0.00 54.97 57.48 3jvo s GLU 84 Cb -0.13 -3.29 0.02 0.00 0.26 0.00 0.00 34.13 31.00 3jvo s GLU 84 CO 0.02 -0.65 0.84 1.21 -0.54 0.00 0.00 175.26 176.14 3jvo s ASN 85 N 1.53 6.47 0.64 -1.70 2.47 -1.26 -4.93 114.94 118.15 3jvo s ASN 85 Ca 0.72 0.04 0.39 0.00 0.42 0.00 0.00 52.86 54.43 3jvo s ASN 85 Cb -0.43 -2.41 2.19 0.00 -1.45 0.00 0.00 41.25 39.15 3jvo s ASN 85 CO 0.32 -0.94 2.33 0.00 -3.72 0.00 0.00 177.10 175.08 3jvo h ALA 86 N 8.95 1.21 -0.95 1.71 0.00 -2.03 -2.83 119.26 125.32 3jvo h ALA 86 Ca -0.24 -0.00 0.12 0.00 0.00 0.00 0.00 54.91 54.78 3jvo h ALA 86 Cb 1.08 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.80 3jvo h ALA 86 CO 0.98 -0.01 0.61 0.00 0.00 0.00 0.00 179.25 180.83 3jvo h ALA 87 N 1.99 1.61 0.33 0.00 0.00 -1.99 -2.19 119.26 119.02 3jvo h ALA 87 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3jvo h ALA 87 Cb 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3jvo h ALA 87 CO -0.00 0.16 -0.16 0.00 0.00 0.00 0.00 179.25 179.25 3jvo h ALA 88 N 1.55 -0.44 -0.64 0.00 0.00 -1.88 -3.04 119.26 114.81 3jvo h ALA 88 Ca 0.46 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.19 3jvo h ALA 88 Cb 0.51 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 3jvo h ALA 88 CO -0.23 -0.74 0.10 1.49 0.00 0.00 0.00 179.25 179.87 3jvo h GLU 89 N -0.47 1.06 -4.98 0.00 4.22 -1.75 -3.44 114.58 109.22 3jvo h GLU 89 Ca -0.05 -0.28 -0.43 0.00 0.08 0.00 0.00 59.36 58.69 3jvo h GLU 89 Cb 0.35 -0.13 0.04 0.00 0.50 0.00 0.00 28.75 29.52 3jvo h GLU 89 CO 0.07 0.97 1.29 0.54 -2.18 0.00 0.00 179.01 179.71 3jvo n ARG 90 N -4.22 0.85 0.00 1.92 1.74 -0.83 -4.56 116.66 111.56 3jvo n ARG 90 Ca 0.04 -1.75 0.00 0.00 -0.77 0.00 0.00 57.85 55.37 3jvo n ARG 90 Cb 0.29 -3.22 0.00 0.00 -1.02 0.00 0.00 32.46 28.51 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 12.13 0.00 0.47 -1.55 7.35 -1.26 -4.82 117.46 129.78 3jvo n PHE 93 Ca 0.46 0.00 0.05 0.00 -0.76 0.00 0.00 57.45 57.20 3jvo n PHE 93 Cb 0.44 0.00 0.26 0.00 0.35 0.00 0.00 39.48 40.53 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 0.93 -2.30 -2.13 0.13 -1.26 -2.24 119.36 112.48 3jvo n ILE 94 Ca 0.00 0.23 0.04 0.00 -1.10 0.00 0.00 62.75 61.92 3jvo n ILE 94 Cb 0.00 -1.05 0.07 0.00 -0.84 0.00 0.00 39.64 37.82 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 -1.37 0.13 -2.27 9.51 8.25 -1.26 -5.11 115.22 123.10 3jvo n HIS 95 Ca 0.04 -0.86 -0.33 0.00 -0.26 0.00 0.00 57.72 56.31 3jvo n HIS 95 Cb 0.10 -0.18 -0.01 0.00 1.12 0.00 0.00 29.99 31.02 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 -1.04 3.58 0.00 -0.41 3.52 -0.95 -4.86 118.95 118.80 3jvo s ARG 96 Ca 0.35 1.21 0.10 0.00 -0.13 0.00 0.00 55.73 57.26 3jvo s ARG 96 Cb 0.38 -2.07 0.08 0.00 -1.56 0.00 0.00 34.95 31.78 3jvo s ARG 96 CO -0.14 -0.59 0.81 -1.71 -0.81 0.00 0.00 175.30 172.86