#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 5.08 -0.22 0.00 1.01 -1.26 -5.05 121.20 120.76 3jvo s ILE 3 Ca 0.00 1.00 -0.24 0.00 0.00 0.00 0.00 60.65 61.41 3jvo s ILE 3 Cb 0.00 -3.82 -0.01 0.00 0.01 0.00 0.00 42.46 38.64 3jvo s ILE 3 CO 0.00 0.41 0.79 -0.62 0.00 0.00 0.00 174.94 175.52 3jvo s ASP 4 N 0.04 6.83 0.39 3.58 -1.08 -1.26 -4.95 116.67 120.21 3jvo s ASP 4 Ca 0.27 1.02 0.15 0.00 -0.52 0.00 0.00 52.55 53.46 3jvo s ASP 4 Cb -0.16 -2.42 0.99 0.00 -1.46 0.00 0.00 42.92 39.86 3jvo s ASP 4 CO 0.13 -0.45 1.83 1.62 0.52 0.00 0.00 175.17 178.82 3jvo h VAL 5 N 5.34 0.68 0.00 1.11 3.04 -1.93 0.20 116.25 124.69 3jvo h VAL 5 Ca -0.26 -0.17 0.00 0.00 -1.01 0.00 0.00 66.70 65.26 3jvo h VAL 5 Cb 1.11 0.13 0.00 0.00 -2.01 0.00 0.00 31.29 30.52 3jvo h VAL 5 CO 0.85 0.09 0.00 0.18 -1.01 0.00 0.00 177.57 177.68 3jvo n LEU 6 N -4.58 0.20 0.09 3.16 4.77 -1.26 -0.83 117.00 118.56 3jvo n LEU 6 Ca 0.21 0.56 0.12 0.00 -0.03 0.00 0.00 56.01 56.87 3jvo n LEU 6 Cb 0.68 -0.54 0.20 0.00 -2.33 0.00 0.00 43.42 41.42 3jvo n LEU 6 CO 0.28 -0.40 0.46 0.44 -1.33 0.00 0.00 177.39 176.84 3jvo h ASP 7 N 0.00 0.00 0.00 -1.43 3.32 -1.36 -3.36 116.42 113.60 3jvo h ASP 7 Ca 0.00 -0.12 -0.35 0.00 0.02 0.00 0.00 57.03 56.58 3jvo h ASP 7 Cb 0.23 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.73 3jvo h ASP 7 CO 0.00 0.06 -1.94 0.52 -1.72 0.00 0.00 179.24 176.16 3jvo n VAL 8 N -2.32 1.54 -4.11 -1.35 0.31 -0.01 -4.84 118.33 107.55 3jvo n VAL 8 Ca 0.03 -0.24 -0.25 0.00 -0.01 0.00 0.00 64.34 63.88 3jvo n VAL 8 Cb 0.46 -1.94 -0.17 0.00 -0.91 0.00 0.00 33.84 31.29 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 0.90 0.66 2.52 1.01 -0.20 -5.07 121.20 118.58 3jvo s ILE 9 Ca -0.34 -0.26 -0.17 0.00 0.00 0.00 0.00 60.65 59.88 3jvo s ILE 9 Cb 0.10 -0.91 0.00 0.00 0.01 0.00 0.00 42.46 41.66 3jvo s ILE 9 CO 0.55 0.33 1.21 -0.94 0.00 0.00 0.00 174.94 176.09 3jvo s SER 10 N 1.34 4.72 0.24 3.58 1.04 -1.26 -4.01 113.70 119.35 3jvo s SER 10 Ca -0.03 2.36 -0.04 0.00 0.48 0.00 0.00 55.95 58.72 3jvo s SER 10 Cb -0.14 -2.59 0.42 0.00 0.10 0.00 0.00 66.02 63.81 3jvo s SER 10 CO -0.03 -1.91 1.77 0.25 0.98 0.00 0.00 173.24 174.29 3jvo h LEU 11 N 0.29 0.48 -0.85 2.42 5.85 -1.94 -1.98 115.31 119.58 3jvo h LEU 11 Ca -0.49 0.08 0.09 0.00 0.84 0.00 0.00 57.88 58.39 3jvo h LEU 11 Cb 1.30 -0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.25 3jvo h LEU 11 CO 0.53 0.25 0.51 0.77 -0.34 0.00 0.00 178.44 180.15 3jvo h SER 12 N 0.61 0.75 -0.43 1.25 4.64 -1.99 -2.06 113.55 116.32 3jvo h SER 12 Ca 0.40 0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 61.72 3jvo h SER 12 Cb 0.49 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.45 3jvo h SER 12 CO -0.31 0.44 0.11 0.25 -0.87 0.00 0.00 176.83 176.45 3jvo h LEU 13 N 0.87 0.66 -0.67 5.97 5.85 -1.74 -1.71 115.31 124.53 3jvo h LEU 13 Ca 0.40 -0.23 0.08 0.00 0.84 0.00 0.00 57.88 58.97 3jvo h LEU 13 Cb 0.32 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.11 3jvo h LEU 13 CO -0.23 0.72 0.34 -0.26 -0.34 0.00 0.00 178.44 178.67 3jvo h PHE 14 N 0.57 0.61 -0.27 1.25 0.04 -1.06 -0.91 116.94 117.17 3jvo h PHE 14 Ca 0.14 0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.86 3jvo h PHE 14 Cb 0.31 -0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.27 3jvo h PHE 14 CO 0.02 0.25 -0.13 0.87 -0.60 0.00 0.00 178.31 178.72 3jvo h LYS 15 N 0.61 0.46 -0.61 1.51 1.57 -1.16 -2.76 116.57 116.18 3jvo h LYS 15 Ca 0.31 -0.13 -0.09 0.00 -1.87 0.00 0.00 60.65 58.87 3jvo h LYS 15 Cb 0.28 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 3jvo h LYS 15 CO -0.23 0.59 0.02 1.96 -0.57 0.00 0.00 179.45 181.23 3jvo h GLN 16 N 0.42 1.06 -0.84 3.15 4.20 -0.37 0.59 115.11 123.31 3jvo h GLN 16 Ca 0.08 -0.32 0.17 0.00 0.06 0.00 0.00 58.65 58.63 3jvo h GLN 16 Cb 0.49 -0.10 -0.10 0.00 0.30 0.00 0.00 27.48 28.06 3jvo h GLN 16 CO 0.03 1.02 0.39 0.37 -0.67 0.00 0.00 178.83 179.97 3jvo h GLN 17 N 0.96 0.50 -0.63 1.46 5.75 -0.91 -1.49 115.11 120.74 3jvo h GLN 17 Ca 0.17 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.65 3jvo h GLN 17 Cb 0.53 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 28.97 3jvo h GLN 17 CO 0.03 0.33 0.00 0.44 -2.65 0.00 0.00 178.83 176.97 3jvo n ILE 18 N -4.96 1.34 -3.80 2.39 -5.35 -1.15 -4.97 119.36 102.87 3jvo n ILE 18 Ca 0.18 -1.10 -0.23 0.00 -0.27 0.00 0.00 62.75 61.32 3jvo n ILE 18 Cb 0.50 0.34 0.01 0.00 -1.74 0.00 0.00 39.64 38.75 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 1.22 -4.04 -4.04 6.28 -0.58 -0.52 -4.96 120.64 114.00 3jvo n GLU 19 Ca 0.23 0.53 -0.32 0.00 -0.42 0.00 0.00 57.16 57.18 3jvo n GLU 19 Cb 0.70 -4.87 -0.15 0.00 -0.57 0.00 0.00 31.44 26.55 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 -3.78 2.87 -0.24 -0.32 5.36 0.08 -5.00 117.98 116.95 3jvo s PHE 20 Ca 0.03 -1.96 0.22 0.00 -0.96 0.00 0.00 56.93 54.26 3jvo s PHE 20 Cb -0.01 -1.81 -0.18 0.00 -0.34 0.00 0.00 43.02 40.68 3jvo s PHE 20 CO 0.84 -0.82 0.75 0.39 -1.46 0.00 0.00 175.22 174.92 3jvo n GLU 21 N 4.55 0.54 -2.32 10.12 -0.58 -1.26 -4.58 120.64 127.13 3jvo n GLU 21 Ca -0.15 -0.07 -0.29 0.00 -0.42 0.00 0.00 57.16 56.23 3jvo n GLU 21 Cb 0.45 -1.61 0.01 0.00 -0.57 0.00 0.00 31.44 29.71 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 -3.39 3.48 0.00 3.49 0.41 -1.26 -5.00 118.70 116.42 3jvo s GLU 22 Ca -0.03 0.38 0.15 0.00 -0.41 0.00 0.00 54.97 55.06 3jvo s GLU 22 Cb 0.13 -2.25 0.28 0.00 -1.78 0.00 0.00 34.13 30.51 3jvo s GLU 22 CO 0.86 -0.41 1.18 -0.25 -0.49 0.00 0.00 175.26 176.14 3jvo n ASP 23 N -2.49 2.81 -0.38 -0.19 8.00 -1.26 -4.59 116.55 118.45 3jvo n ASP 23 Ca 0.03 -1.83 0.10 0.00 0.71 0.00 0.00 54.79 53.80 3jvo n ASP 23 Cb 0.55 -0.17 0.44 0.00 -0.02 0.00 0.00 41.12 41.92 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 0.86 1.13 -0.72 -2.24 5.75 -1.26 -3.72 116.55 116.35 3jvo n ASP 24 Ca 0.13 -1.61 0.06 0.00 -0.01 0.00 0.00 54.79 53.36 3jvo n ASP 24 Cb 0.44 -0.07 0.17 0.00 -1.03 0.00 0.00 41.12 40.63 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 -0.04 1.26 -0.32 0.11 5.12 -1.26 -4.85 116.66 116.69 3jvo n ARG 25 Ca 0.16 -2.99 0.03 0.00 -1.93 0.00 0.00 57.85 53.11 3jvo n ARG 25 Cb 0.25 -1.31 0.21 0.00 -1.16 0.00 0.00 32.46 30.45 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 0.92 0.96 -0.14 0.55 3.32 -1.89 0.14 116.42 120.27 3jvo h ASP 26 Ca -0.04 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.91 3jvo h ASP 26 Cb 1.17 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.51 3jvo h ASP 26 CO 0.02 0.63 -0.31 -0.08 -1.72 0.00 0.00 179.24 177.78 3jvo h GLU 27 N 1.10 0.46 -0.35 3.56 4.81 -1.91 0.39 114.58 122.64 3jvo h GLU 27 Ca 0.39 -0.31 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 3jvo h GLU 27 Cb 0.13 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 3jvo h GLU 27 CO -0.14 0.91 0.17 1.25 -0.73 0.00 0.00 179.01 180.48 3jvo h LEU 28 N 0.07 0.46 -0.70 1.64 5.85 -1.89 -1.75 115.31 118.99 3jvo h LEU 28 Ca 0.00 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.64 3jvo h LEU 28 Cb 0.91 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.78 3jvo h LEU 28 CO 0.07 0.44 0.43 0.40 -0.34 0.00 0.00 178.44 179.45 3jvo h ILE 29 N 0.43 1.08 -0.78 4.05 2.04 -0.92 -1.33 117.51 122.09 3jvo h ILE 29 Ca 0.12 -0.29 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 3jvo h ILE 29 Cb 0.10 0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 36.31 3jvo h ILE 29 CO -0.02 0.15 0.35 0.74 0.00 0.00 0.00 178.15 179.38 3jvo h THR 30 N 0.84 1.25 -0.55 -0.27 2.02 -0.73 -0.31 112.91 115.16 3jvo h THR 30 Ca 0.28 -0.73 -0.01 0.00 0.77 0.00 0.00 66.41 66.73 3jvo h THR 30 Cb 0.04 0.27 -0.03 0.00 -1.74 0.00 0.00 68.15 66.70 3jvo h THR 30 CO -0.12 0.30 0.30 0.25 0.37 0.00 0.00 175.52 176.63 3jvo h LEU 31 N 1.11 0.69 -0.65 2.58 6.46 -0.62 0.19 115.31 125.07 3jvo h LEU 31 Ca 0.27 -0.09 -0.02 0.00 -0.12 0.00 0.00 57.88 57.92 3jvo h LEU 31 Cb 0.15 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 39.87 3jvo h LEU 31 CO -0.03 0.58 0.34 1.88 -0.62 0.00 0.00 178.44 180.60 3jvo h TYR 32 N 0.74 0.91 -0.62 1.25 0.05 -0.85 -0.62 116.97 117.83 3jvo h TYR 32 Ca 0.19 -0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.94 3jvo h TYR 32 Cb 0.05 -0.29 -0.03 0.00 1.01 0.00 0.00 36.73 37.47 3jvo h TYR 32 CO -0.01 0.66 0.36 0.00 -1.05 0.00 0.00 178.16 178.12 3jvo h ALA 33 N 1.16 0.79 -0.49 3.88 0.00 -0.69 -0.26 119.26 123.65 3jvo h ALA 33 Ca 0.23 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 3jvo h ALA 33 Cb 0.07 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3jvo h ALA 33 CO -0.03 0.29 0.07 1.96 0.00 0.00 0.00 179.25 181.53 3jvo h GLN 34 N 0.84 0.82 -0.35 0.00 4.20 -0.72 -1.50 115.11 118.40 3jvo h GLN 34 Ca 0.22 -0.23 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3jvo h GLN 34 Cb 0.01 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.68 3jvo h GLN 34 CO -0.04 0.83 0.23 0.00 -0.67 0.00 0.00 178.83 179.18 3jvo h ALA 35 N 0.96 0.44 -0.20 3.87 0.00 -0.97 0.16 119.26 123.53 3jvo h ALA 35 Ca 0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3jvo h ALA 35 Cb 0.41 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3jvo h ALA 35 CO 0.01 -0.09 0.10 0.00 0.00 0.00 0.00 179.25 179.27 3jvo h ALA 36 N 1.12 0.25 -0.22 0.00 0.00 -0.92 -0.89 119.26 118.61 3jvo h ALA 36 Ca 0.13 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3jvo h ALA 36 Cb -0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3jvo h ALA 36 CO -0.03 -0.19 0.13 0.35 0.00 0.00 0.00 179.25 179.52 3jvo h PHE 37 N 0.19 0.29 -0.52 0.00 3.57 -1.21 -0.84 116.94 118.42 3jvo h PHE 37 Ca 0.07 -0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.59 3jvo h PHE 37 Cb 0.11 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.72 3jvo h PHE 37 CO -0.03 0.23 0.31 0.22 -2.23 0.00 0.00 178.31 176.81 3jvo h ASP 38 N 0.27 0.49 0.05 0.41 3.58 -0.86 -2.77 116.42 117.59 3jvo h ASP 38 Ca 0.08 0.01 0.02 0.00 0.42 0.00 0.00 57.03 57.55 3jvo h ASP 38 Cb 0.02 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 40.96 3jvo h ASP 38 CO -0.01 0.34 -0.15 0.22 -2.88 0.00 0.00 179.24 176.76 3jvo h TYR 39 N 0.61 -0.38 0.00 0.28 3.20 -0.95 -2.17 116.97 117.56 3jvo h TYR 39 Ca 0.21 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.09 3jvo h TYR 39 Cb 0.04 0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.47 3jvo h TYR 39 CO -0.07 -0.22 0.00 0.00 -1.64 0.00 0.00 178.16 176.23 3jvo n ARG 42 N 0.74 0.00 -0.10 0.00 5.12 -0.82 -1.05 116.66 120.55 3jvo n ARG 42 Ca 0.00 0.00 -0.09 0.00 -1.93 0.00 0.00 57.85 55.83 3jvo n ARG 42 Cb 0.15 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.44 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 0.47 -0.23 -1.55 7.01 -1.47 -2.70 115.95 117.48 3jvo h TRP 43 Ca 0.00 -0.02 -0.11 0.00 2.11 0.00 0.00 58.89 60.88 3jvo h TRP 43 Cb 0.00 -0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 26.90 3jvo h TRP 43 CO 0.00 0.39 -0.32 0.00 -2.79 0.00 0.00 178.44 175.72 3jvo n ASP 45 N -4.08 -4.28 -4.08 0.00 2.03 -1.02 -1.93 116.55 103.20 3jvo n ASP 45 Ca -0.01 -1.04 -0.36 0.00 0.52 0.00 0.00 54.79 53.91 3jvo n ASP 45 Cb 0.45 -3.19 -0.10 0.00 -0.72 0.00 0.00 41.12 37.55 3jvo n ASP 45 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 3jvo s GLU 46 N -6.20 2.46 0.65 -0.67 2.56 -1.26 -4.42 118.70 111.81 3jvo s GLU 46 Ca 0.39 -2.48 0.42 0.00 0.00 0.00 0.00 54.97 53.30 3jvo s GLU 46 Cb -0.15 -3.68 2.24 0.00 2.00 0.00 0.00 34.13 34.55 3jvo s GLU 46 CO 0.87 -1.16 2.31 -1.35 -0.56 0.00 0.00 175.26 175.38 3jvo h PRO 47 N 7.06 0.00 0.00 4.30 0.11 -2.02 -2.67 132.00 138.78 3jvo h PRO 47 Ca -0.03 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.01 3jvo h PRO 47 Cb 0.95 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 3jvo h PRO 47 CO 0.71 0.00 -0.33 0.00 -0.21 0.00 0.00 178.00 178.17 3jvo h ALA 48 N 2.00 1.31 -1.58 -0.75 0.00 -2.02 -3.41 119.26 114.80 3jvo h ALA 48 Ca -0.00 -0.30 -0.54 0.00 0.00 0.00 0.00 54.91 54.07 3jvo h ALA 48 Cb 0.08 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 3jvo h ALA 48 CO 0.00 0.41 1.16 -1.58 0.00 0.00 0.00 179.25 179.24 3jvo s TRP 49 N -4.10 2.13 -0.18 0.00 0.51 -1.01 -4.81 118.94 111.48 3jvo s TRP 49 Ca -0.02 0.50 0.18 0.00 -2.12 0.00 0.00 56.10 54.64 3jvo s TRP 49 Cb 0.14 -4.33 -0.25 0.00 -0.81 0.00 0.00 33.47 28.21 3jvo s TRP 49 CO 0.70 -2.13 0.15 1.63 -0.51 0.00 0.00 176.95 176.79 3jvo n LYS 50 N 8.79 0.68 -4.28 4.98 5.02 -1.26 -5.00 118.16 127.09 3jvo n LYS 50 Ca 0.14 0.01 -0.15 0.00 -2.02 0.00 0.00 58.31 56.28 3jvo n LYS 50 Cb 0.49 -1.54 -0.10 0.00 -0.02 0.00 0.00 35.03 33.86 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 -2.56 1.15 0.28 -0.18 -7.23 -1.26 -4.80 120.40 105.80 3jvo s VAL 51 Ca -0.09 -2.06 0.02 0.00 -1.81 0.00 0.00 61.98 58.04 3jvo s VAL 51 Cb 0.07 -2.02 0.29 0.00 0.56 0.00 0.00 36.38 35.27 3jvo s VAL 51 CO 0.83 -0.60 1.68 0.00 -0.31 0.00 0.00 175.10 176.71 3jvo h ALA 52 N 2.67 1.35 0.00 1.32 0.00 -1.94 0.20 119.26 122.86 3jvo h ALA 52 Ca -0.37 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3jvo h ALA 52 Cb 1.20 0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3jvo h ALA 52 CO 0.64 -0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.52 3jvo n ALA 53 N -2.56 1.62 0.32 0.00 0.00 -1.26 -2.32 120.51 116.31 3jvo n ALA 53 Ca 0.21 0.07 0.14 0.00 0.00 0.00 0.00 53.44 53.85 3jvo n ALA 53 Cb 0.64 -1.35 0.40 0.00 0.00 0.00 0.00 19.45 19.14 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 -2.94 0.00 3.32 -1.01 -3.46 116.42 112.34 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 0.32 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.82 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 -3.34 4.34 0.65 0.35 -1.09 -0.98 -4.95 121.20 116.19 3jvo s ILE 55 Ca 0.06 1.62 -0.17 0.00 -2.23 0.00 0.00 60.65 59.93 3jvo s ILE 55 Cb 0.08 -4.05 -0.00 0.00 -1.58 0.00 0.00 42.46 36.91 3jvo s ILE 55 CO 0.59 -0.14 1.19 -2.84 -1.23 0.00 0.00 174.94 172.51 3jvo s PRO 56 N 3.43 2.65 0.32 2.79 0.02 -1.26 -4.85 135.00 138.10 3jvo s PRO 56 Ca 0.53 1.72 0.01 0.00 0.02 0.00 0.00 61.00 63.28 3jvo s PRO 56 Cb -0.21 -1.90 0.57 0.00 0.02 0.00 0.00 34.50 32.98 3jvo s PRO 56 CO 0.13 -1.44 1.96 0.00 -0.33 0.00 0.00 177.00 177.33 3jvo h ALA 57 N 0.31 1.53 -0.42 -1.55 0.00 -1.99 -1.90 119.26 115.25 3jvo h ALA 57 Ca -0.49 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.31 3jvo h ALA 57 Cb 1.29 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 3jvo h ALA 57 CO 0.53 0.39 -0.04 0.00 0.00 0.00 0.00 179.25 180.13 3jvo h ALA 58 N 1.54 1.15 -0.49 0.00 0.00 -2.00 -1.26 119.26 118.21 3jvo h ALA 58 Ca 0.32 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 3jvo h ALA 58 Cb 0.05 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3jvo h ALA 58 CO -0.09 0.54 -0.08 0.28 0.00 0.00 0.00 179.25 179.90 3jvo h VAL 59 N 0.65 1.26 -0.78 0.00 2.07 -1.74 -2.26 116.25 115.44 3jvo h VAL 59 Ca 0.12 -1.17 0.01 0.00 0.82 0.00 0.00 66.70 66.48 3jvo h VAL 59 Cb 0.46 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 3jvo h VAL 59 CO 0.02 0.41 0.52 0.11 0.02 0.00 0.00 177.57 178.65 3jvo h LYS 60 N 0.79 1.02 -0.76 1.57 1.57 -0.73 0.01 116.57 120.05 3jvo h LYS 60 Ca 0.13 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3jvo h LYS 60 Cb 0.59 -0.23 -0.04 0.00 0.08 0.00 0.00 32.23 32.63 3jvo h LYS 60 CO 0.04 0.68 0.48 0.78 -0.57 0.00 0.00 179.45 180.85 3jvo h GLY 61 N 1.05 1.08 1.20 3.86 0.00 -0.96 -1.54 103.07 107.77 3jvo h GLY 61 Ca 0.29 -0.43 -0.07 0.00 0.00 0.00 0.00 47.33 47.13 3jvo h GLY 61 CO -0.07 0.42 0.12 0.00 0.00 0.00 0.00 176.54 177.01 3jvo h ALA 62 N 1.26 1.05 -0.52 3.60 0.00 -0.91 -2.11 119.26 121.63 3jvo h ALA 62 Ca 0.28 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3jvo h ALA 62 Cb -0.08 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 3jvo h ALA 62 CO -0.06 0.62 0.33 0.28 0.00 0.00 0.00 179.25 180.43 3jvo h VAL 63 N 0.94 1.14 -0.64 0.00 2.07 -0.45 -0.97 116.25 118.34 3jvo h VAL 63 Ca 0.19 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 3jvo h VAL 63 Cb 0.37 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 3jvo h VAL 63 CO 0.01 0.14 0.31 -0.07 0.02 0.00 0.00 177.57 177.98 3jvo h LEU 64 N 0.70 0.82 -0.29 2.57 3.38 -0.92 -0.01 115.31 121.57 3jvo h LEU 64 Ca 0.19 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 3jvo h LEU 64 Cb -0.05 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3jvo h LEU 64 CO -0.04 0.69 -0.06 -0.07 0.09 0.00 0.00 178.44 179.05 3jvo h LEU 65 N 0.90 0.56 -0.50 1.67 3.38 -0.90 -1.43 115.31 118.99 3jvo h LEU 65 Ca 0.22 -0.36 -0.07 0.00 0.09 0.00 0.00 57.88 57.76 3jvo h LEU 65 Cb 0.09 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 3jvo h LEU 65 CO -0.03 0.79 0.02 0.58 0.09 0.00 0.00 178.44 179.89 3jvo h VAL 66 N 0.32 1.26 -0.14 1.22 2.07 -0.90 -1.93 116.25 118.15 3jvo h VAL 66 Ca 0.07 -1.04 -0.00 0.00 0.82 0.00 0.00 66.70 66.55 3jvo h VAL 66 Cb 0.54 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 3jvo h VAL 66 CO 0.03 0.37 0.08 0.15 0.02 0.00 0.00 177.57 178.22 3jvo h PHE 67 N 0.73 0.18 -0.77 1.57 3.57 -0.98 -2.96 116.94 118.28 3jvo h PHE 67 Ca 0.14 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.59 3jvo h PHE 67 Cb 0.48 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.13 3jvo h PHE 67 CO 0.04 0.16 0.28 0.00 -2.23 0.00 0.00 178.31 176.56 3jvo h ALA 68 N 1.01 1.04 0.00 2.41 0.00 -1.20 -2.01 119.26 120.50 3jvo h ALA 68 Ca 0.05 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3jvo h ALA 68 Cb 0.03 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.52 3jvo h ALA 68 CO -0.01 0.67 0.00 -3.47 0.00 0.00 0.00 179.25 176.44 3jvo n ASP 69 N -4.27 0.00 0.00 0.00 2.03 -0.73 -1.65 116.55 111.93 3jvo n ASP 69 Ca 0.07 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.38 3jvo n ASP 69 Cb 0.20 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.60 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 0.59 0.00 0.02 -0.67 7.35 -0.76 -0.60 117.46 123.39 3jvo n PHE 71 Ca 0.00 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.56 3jvo n PHE 71 Cb 0.00 0.00 -0.14 0.00 0.35 0.00 0.00 39.48 39.69 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 0.13 -4.60 -4.13 4.39 -1.60 -3.44 114.58 105.33 3jvo h GLU 72 Ca 0.00 -0.22 -0.67 0.00 0.34 0.00 0.00 59.36 58.81 3jvo h GLU 72 Cb 0.00 0.08 -0.39 0.00 -0.10 0.00 0.00 28.75 28.34 3jvo h GLU 72 CO 0.00 0.87 -0.68 -1.01 -1.16 0.00 0.00 179.01 177.03 3jvo s HIS 73 N -2.61 3.71 -0.94 4.33 3.76 0.23 -4.98 115.29 118.79 3jvo s HIS 73 Ca -0.09 -2.88 0.22 0.00 -0.15 0.00 0.00 55.06 52.16 3jvo s HIS 73 Cb 0.08 -3.00 -0.07 0.00 1.11 0.00 0.00 32.58 30.70 3jvo s HIS 73 CO 0.82 -0.95 0.99 0.54 -0.85 0.00 0.00 174.74 175.30 3jvo n ARG 74 N 4.29 0.04 -4.74 1.40 5.12 -1.26 -4.94 116.66 116.56 3jvo n ARG 74 Ca 0.03 -0.01 -0.30 0.00 -1.93 0.00 0.00 57.85 55.64 3jvo n ARG 74 Cb 0.42 -1.51 -0.14 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 -3.03 2.35 0.42 0.55 -4.23 -1.26 -5.03 115.64 105.40 3jvo s THR 75 Ca 0.08 -1.40 0.23 0.00 -1.18 0.00 0.00 61.69 59.41 3jvo s THR 75 Cb 0.16 -1.96 0.25 0.00 1.34 0.00 0.00 72.50 72.29 3jvo s THR 75 CO 0.83 0.31 2.03 0.00 -0.54 0.00 0.00 174.62 177.25 3jvo h ALA 76 N 4.54 1.39 -4.10 3.99 0.00 -2.06 -3.40 119.26 119.61 3jvo h ALA 76 Ca -0.48 -0.14 -0.57 0.00 0.00 0.00 0.00 54.91 53.72 3jvo h ALA 76 Cb 1.15 -0.03 -0.26 0.00 0.00 0.00 0.00 17.79 18.65 3jvo h ALA 76 CO 0.44 0.20 -0.84 -0.65 0.00 0.00 0.00 179.25 178.40 3jvo s GLN 77 N -4.30 1.40 0.17 0.00 -0.21 -1.26 -5.16 119.66 110.30 3jvo s GLN 77 Ca -0.03 -0.88 0.08 0.00 0.02 0.00 0.00 55.36 54.55 3jvo s GLN 77 Cb 0.14 -1.47 -0.04 0.00 1.00 0.00 0.00 33.01 32.64 3jvo s GLN 77 CO 0.62 0.38 -0.16 -1.54 -2.12 0.00 0.00 175.29 172.47 3jvo s SER 78 N -1.03 2.50 0.22 5.90 1.04 -1.26 -5.03 113.70 116.04 3jvo s SER 78 Ca 0.07 -0.91 0.11 0.00 0.48 0.00 0.00 55.95 55.70 3jvo s SER 78 Cb -0.08 -0.13 0.10 0.00 0.10 0.00 0.00 66.02 66.00 3jvo s SER 78 CO 0.01 -0.11 1.45 1.05 0.98 0.00 0.00 173.24 176.63 3jvo h GLU 79 N 3.06 0.00 -5.65 4.02 9.09 -2.01 -3.44 114.58 119.65 3jvo h GLU 79 Ca -0.40 0.00 -0.65 0.00 0.05 0.00 0.00 59.36 58.35 3jvo h GLU 79 Cb 1.21 0.00 -0.16 0.00 -1.65 0.00 0.00 28.75 28.15 3jvo h GLU 79 CO 0.55 0.72 -0.60 0.14 0.05 0.00 0.00 179.01 179.87 3jvo s VAL 80 N -3.09 4.48 0.31 -1.06 -7.23 -1.26 -5.07 120.40 107.48 3jvo s VAL 80 Ca 0.01 -0.17 -0.29 0.00 -1.81 0.00 0.00 61.98 59.72 3jvo s VAL 80 Cb 0.10 -2.94 -0.10 0.00 0.56 0.00 0.00 36.38 34.00 3jvo s VAL 80 CO 0.77 0.55 1.39 -1.58 -0.31 0.00 0.00 175.10 175.92 3jvo s GLN 81 N -0.36 4.28 -0.02 4.82 0.74 -1.26 -5.01 119.66 122.85 3jvo s GLN 81 Ca 0.08 2.31 -0.00 0.00 0.05 0.00 0.00 55.36 57.80 3jvo s GLN 81 Cb -0.12 -3.07 -0.04 0.00 1.10 0.00 0.00 33.01 30.89 3jvo s GLN 81 CO 0.02 -0.34 0.04 -0.51 -0.55 0.00 0.00 175.29 173.96 3jvo s LEU 82 N -1.31 3.74 -0.11 3.68 1.43 -1.26 -5.11 118.68 119.74 3jvo s LEU 82 Ca 0.54 0.11 0.03 0.00 -1.03 0.00 0.00 54.13 53.78 3jvo s LEU 82 Cb -0.42 -2.10 -0.00 0.00 0.03 0.00 0.00 46.19 43.70 3jvo s LEU 82 CO 0.51 0.30 -0.22 -0.31 0.23 0.00 0.00 176.35 176.86 3jvo s TYR 83 N -1.10 2.62 0.07 0.29 2.02 -1.26 -5.10 117.35 114.90 3jvo s TYR 83 Ca 0.20 -1.04 -0.34 0.00 -0.37 0.00 0.00 57.07 55.52 3jvo s TYR 83 Cb -0.12 -1.75 -0.13 0.00 -0.40 0.00 0.00 41.96 39.57 3jvo s TYR 83 CO 0.10 -0.42 1.72 -1.91 -1.57 0.00 0.00 175.55 173.47 3jvo n GLU 84 N 3.62 2.26 -2.81 -0.62 2.13 -1.26 -4.95 120.64 119.00 3jvo n GLU 84 Ca -0.19 0.82 -0.43 0.00 0.66 0.00 0.00 57.16 58.02 3jvo n GLU 84 Cb 0.53 -2.63 -0.04 0.00 0.27 0.00 0.00 31.44 29.56 3jvo n GLU 84 CO 0.00 0.00 0.00 1.21 -0.41 0.00 0.00 177.13 177.93 3jvo s ASN 85 N 2.22 6.47 0.60 4.31 3.84 -1.26 -4.93 114.94 126.19 3jvo s ASN 85 Ca 0.84 0.03 0.29 0.00 0.21 0.00 0.00 52.86 54.23 3jvo s ASN 85 Cb -0.65 -2.45 1.62 0.00 -0.55 0.00 0.00 41.25 39.22 3jvo s ASN 85 CO 0.42 -1.10 2.04 0.00 -2.79 0.00 0.00 177.10 175.67 3jvo h ALA 86 N 9.14 1.86 -0.58 1.71 0.00 -2.03 -2.75 119.26 126.61 3jvo h ALA 86 Ca -0.24 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 54.78 3jvo h ALA 86 Cb 1.07 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 3jvo h ALA 86 CO 1.04 -0.41 0.40 0.00 0.00 0.00 0.00 179.25 180.29 3jvo h ALA 87 N 1.66 2.18 0.31 0.00 0.00 -1.99 -2.26 119.26 119.16 3jvo h ALA 87 Ca 0.11 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3jvo h ALA 87 Cb 0.68 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3jvo h ALA 87 CO -0.00 -0.33 -0.15 0.00 0.00 0.00 0.00 179.25 178.77 3jvo h ALA 88 N 1.71 -0.42 -0.40 0.00 0.00 -1.87 -3.20 119.26 115.09 3jvo h ALA 88 Ca 0.28 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.02 3jvo h ALA 88 Cb 0.72 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3jvo h ALA 88 CO -0.06 -0.57 0.24 1.05 0.00 0.00 0.00 179.25 179.92 3jvo h GLU 89 N -0.76 0.48 -5.00 0.00 -0.00 -1.75 -3.43 114.58 104.12 3jvo h GLU 89 Ca -0.04 -0.03 -0.56 0.00 -0.00 0.00 0.00 59.36 58.72 3jvo h GLU 89 Cb 0.50 -0.11 0.14 0.00 -0.00 0.00 0.00 28.75 29.29 3jvo h GLU 89 CO 0.07 0.32 1.33 0.54 -0.00 0.00 0.00 179.01 181.27 3jvo n ARG 90 N -4.85 0.00 0.00 1.06 1.74 -0.86 -4.54 116.66 109.21 3jvo n ARG 90 Ca 0.01 -0.98 0.00 0.00 -0.77 0.00 0.00 57.85 56.11 3jvo n ARG 90 Cb 0.05 -2.47 0.00 0.00 -1.02 0.00 0.00 32.46 29.02 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 8.97 0.00 0.43 -1.55 7.35 -1.26 -4.82 117.46 126.58 3jvo n PHE 93 Ca 0.45 0.00 0.05 0.00 -0.76 0.00 0.00 57.45 57.19 3jvo n PHE 93 Cb 0.42 0.00 0.24 0.00 0.35 0.00 0.00 39.48 40.49 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 0.98 -1.74 -2.13 0.13 -1.26 -2.66 119.36 112.68 3jvo n ILE 94 Ca 0.00 0.24 0.02 0.00 -1.10 0.00 0.00 62.75 61.91 3jvo n ILE 94 Cb 0.00 -1.07 0.03 0.00 -0.84 0.00 0.00 39.64 37.75 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 0.00 -1.94 9.51 8.25 -1.26 -5.10 115.22 123.31 3jvo n HIS 95 Ca 0.04 -0.19 -0.32 0.00 -0.26 0.00 0.00 57.72 56.99 3jvo n HIS 95 Cb 0.10 -0.07 0.01 0.00 1.12 0.00 0.00 29.99 31.15 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 -0.55 3.44 0.00 -0.41 3.52 -1.09 -4.88 118.95 118.99 3jvo s ARG 96 Ca 0.06 0.94 0.07 0.00 -0.13 0.00 0.00 55.73 56.67 3jvo s ARG 96 Cb 0.05 -2.06 0.42 0.00 -1.56 0.00 0.00 34.95 31.81 3jvo s ARG 96 CO 0.01 -0.70 0.88 -1.71 -0.81 0.00 0.00 175.30 172.97