#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j2v s ILE 3 N 0.00 2.95 -0.17 7.28 -1.09 0.13 -2.65 121.20 127.65 1j2v s ILE 3 Ca 0.00 -0.74 0.01 0.00 -2.23 0.00 0.00 60.65 57.69 1j2v s ILE 3 Cb 0.00 -2.18 0.03 0.00 -1.58 0.00 0.00 42.46 38.74 1j2v s ILE 3 CO 0.00 0.57 -0.12 -0.69 -1.23 0.00 0.00 174.94 173.46 1j2v s VAL 4 N -0.31 1.62 -0.18 2.92 1.01 -0.12 0.50 120.40 125.83 1j2v s VAL 4 Ca 0.02 -0.83 -0.05 0.00 0.00 0.00 0.00 61.98 61.13 1j2v s VAL 4 Cb -0.13 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.62 1j2v s VAL 4 CO 0.03 0.32 0.00 -0.47 0.00 0.00 0.00 175.10 174.98 1j2v s TYR 5 N 1.44 3.07 0.04 5.22 5.04 0.60 -0.47 117.35 132.28 1j2v s TYR 5 Ca 0.02 -0.31 -0.03 0.00 -2.44 0.00 0.00 57.07 54.31 1j2v s TYR 5 Cb -0.14 -2.05 -0.02 0.00 0.35 0.00 0.00 41.96 40.10 1j2v s TYR 5 CO -0.10 -0.11 0.03 -0.08 -1.34 0.00 0.00 175.55 173.95 1j2v s THR 6 N 0.71 0.15 0.12 4.34 -1.32 -0.97 -1.34 115.64 117.33 1j2v s THR 6 Ca 0.00 -1.26 0.09 0.00 -1.21 0.00 0.00 61.69 59.31 1j2v s THR 6 Cb -0.14 -0.91 -0.04 0.00 -1.51 0.00 0.00 72.50 69.90 1j2v s THR 6 CO 0.02 -0.69 -0.18 -0.89 -2.21 0.00 0.00 174.62 170.67 1j2v s THR 7 N -2.70 2.85 0.21 5.08 2.01 -1.26 0.21 115.64 122.03 1j2v s THR 7 Ca -0.04 -1.53 0.09 0.00 0.31 0.00 0.00 61.69 60.52 1j2v s THR 7 Cb -0.01 -2.31 -0.05 0.00 0.01 0.00 0.00 72.50 70.14 1j2v s THR 7 CO -0.05 0.08 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.42 1j2v s PHE 8 N -1.19 1.96 0.11 4.92 0.08 0.10 -4.79 117.98 119.18 1j2v s PHE 8 Ca 0.18 -0.45 -0.18 0.00 0.12 0.00 0.00 56.93 56.60 1j2v s PHE 8 Cb -0.10 -0.92 -0.05 0.00 -0.57 0.00 0.00 43.02 41.37 1j2v s PHE 8 CO 0.10 0.46 1.68 -1.35 -0.10 0.00 0.00 175.22 176.01 1j2v h PRO 9 N 2.79 0.40 -3.78 0.24 0.11 -1.90 -1.54 132.00 128.32 1j2v h PRO 9 Ca -0.41 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 65.52 1j2v h PRO 9 Cb 1.22 -0.07 -0.08 0.00 0.11 0.00 0.00 31.00 32.18 1j2v h PRO 9 CO 0.56 0.39 -0.14 0.16 -0.21 0.00 0.00 178.00 178.77 1j2v s ASP 10 N -5.64 0.19 0.34 -2.05 1.47 -1.26 -4.62 116.67 105.11 1j2v s ASP 10 Ca -0.13 -1.12 0.03 0.00 1.18 0.00 0.00 52.55 52.50 1j2v s ASP 10 Cb 0.09 0.61 0.62 0.00 -0.34 0.00 0.00 42.92 43.90 1j2v s ASP 10 CO 0.72 -1.20 1.96 -0.50 0.68 0.00 0.00 175.17 176.83 1j2v h TRP 11 N 2.22 0.73 -0.04 2.11 4.06 -1.95 -3.06 115.95 120.02 1j2v h TRP 11 Ca -0.28 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.67 1j2v h TRP 11 Cb 1.25 -0.24 -0.01 0.00 -1.00 0.00 0.00 29.16 29.16 1j2v h TRP 11 CO 0.75 0.52 -0.05 0.93 -3.56 0.00 0.00 178.44 177.03 1j2v h GLU 12 N 0.76 -0.03 -0.58 0.49 5.08 -2.00 -1.66 114.58 116.64 1j2v h GLU 12 Ca 0.19 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1j2v h GLU 12 Cb 0.04 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 1j2v h GLU 12 CO -0.03 -0.02 0.34 0.66 -1.00 0.00 0.00 179.01 178.96 1j2v h SER 13 N -0.03 0.69 -0.00 1.42 4.64 -1.98 -1.26 113.55 117.02 1j2v h SER 13 Ca 0.01 -0.04 0.02 0.00 -0.47 0.00 0.00 61.79 61.31 1j2v h SER 13 Cb 0.05 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 61.94 1j2v h SER 13 CO -0.05 0.54 -0.11 0.00 -0.87 0.00 0.00 176.83 176.34 1j2v h ALA 14 N 1.58 -0.12 -0.50 5.18 0.00 -1.36 0.85 119.26 124.89 1j2v h ALA 14 Ca 0.21 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1j2v h ALA 14 Cb -0.02 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1j2v h ALA 14 CO -0.04 -0.60 -0.01 0.93 0.00 0.00 0.00 179.25 179.53 1j2v h GLU 15 N -0.18 0.90 0.49 0.00 5.08 -1.08 0.22 114.58 120.00 1j2v h GLU 15 Ca 0.04 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.09 1j2v h GLU 15 Cb 0.23 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1j2v h GLU 15 CO -0.11 0.93 -0.23 -0.22 -1.00 0.00 0.00 179.01 178.38 1j2v h LYS 16 N 0.76 -0.63 -0.41 2.33 3.11 -0.76 0.14 116.57 121.11 1j2v h LYS 16 Ca 0.14 0.04 -0.01 0.00 -2.81 0.00 0.00 60.65 58.02 1j2v h LYS 16 Cb 0.53 0.14 -0.02 0.00 -1.00 0.00 0.00 32.23 31.89 1j2v h LYS 16 CO 0.03 -0.42 0.23 0.28 -2.81 0.00 0.00 179.45 176.75 1j2v h VAL 17 N -0.66 1.15 -0.50 2.00 2.07 0.80 -1.65 116.25 119.47 1j2v h VAL 17 Ca -0.07 -0.40 -0.04 0.00 0.82 0.00 0.00 66.70 67.02 1j2v h VAL 17 Cb 0.50 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1j2v h VAL 17 CO 0.11 0.16 0.16 0.58 0.02 0.00 0.00 177.57 178.60 1j2v h VAL 18 N 0.53 1.23 -0.12 2.57 2.07 -0.46 -1.03 116.25 121.04 1j2v h VAL 18 Ca 0.15 -0.76 -0.15 0.00 0.82 0.00 0.00 66.70 66.75 1j2v h VAL 18 Cb 0.06 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1j2v h VAL 18 CO -0.02 0.28 -0.58 0.11 0.02 0.00 0.00 177.57 177.38 1j2v h LYS 19 N 0.68 0.40 -0.25 1.57 1.57 -0.66 -1.62 116.57 118.25 1j2v h LYS 19 Ca 0.16 -0.26 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1j2v h LYS 19 Cb 0.27 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 1j2v h LYS 19 CO -0.01 0.86 0.16 1.15 -0.57 0.00 0.00 179.45 181.05 1j2v h THR 20 N 0.30 1.08 -0.73 -0.16 2.02 -1.16 0.32 112.91 114.58 1j2v h THR 20 Ca -0.00 -0.16 0.01 0.00 0.77 0.00 0.00 66.41 67.03 1j2v h THR 20 Cb 1.10 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 68.21 1j2v h THR 20 CO 0.10 0.07 0.48 -0.07 0.37 0.00 0.00 175.52 176.47 1j2v h LEU 21 N 0.32 0.82 -0.17 2.58 3.38 -0.92 -0.65 115.31 120.68 1j2v h LEU 21 Ca 0.09 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1j2v h LEU 21 Cb -0.02 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1j2v h LEU 21 CO -0.02 0.59 0.02 -0.07 0.09 0.00 0.00 178.44 179.05 1j2v h LEU 22 N 0.97 0.28 0.09 1.67 3.38 -1.04 -0.87 115.31 119.79 1j2v h LEU 22 Ca 0.27 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1j2v h LEU 22 Cb -0.10 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 1j2v h LEU 22 CO -0.06 0.49 -0.47 0.11 0.09 0.00 0.00 178.44 178.60 1j2v h LYS 23 N 0.06 -0.63 0.00 1.13 1.57 -0.62 0.82 116.57 118.90 1j2v h LYS 23 Ca 0.05 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1j2v h LYS 23 Cb 0.34 0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1j2v h LYS 23 CO 0.01 -0.42 0.06 0.39 -0.57 0.00 0.00 179.45 178.92 1j2v n GLU 24 N -5.12 0.01 -2.41 3.15 1.02 -0.28 -5.05 120.64 111.96 1j2v n GLU 24 Ca -0.07 0.46 -0.01 0.00 -0.02 0.00 0.00 57.16 57.51 1j2v n GLU 24 Cb 0.36 -1.60 -0.01 0.00 -0.02 0.00 0.00 31.44 30.17 1j2v n GLU 24 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1j2v n ARG 25 N -1.51 -2.97 -0.65 3.49 1.74 0.29 -4.63 116.66 112.41 1j2v n ARG 25 Ca -0.00 2.43 -0.22 0.00 -0.77 0.00 0.00 57.85 59.29 1j2v n ARG 25 Cb 0.06 -4.33 0.02 0.00 -1.02 0.00 0.00 32.46 27.19 1j2v n ARG 25 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 1j2v n ILE 27 N 0.77 0.00 -0.05 0.55 -5.35 -1.24 -1.03 119.36 113.00 1j2v n ILE 27 Ca -0.10 -0.30 -0.22 0.00 -0.27 0.00 0.00 62.75 61.87 1j2v n ILE 27 Cb 0.15 0.00 -0.13 0.00 -1.74 0.00 0.00 39.64 37.92 1j2v n ILE 27 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1j2v n ALA 28 N -1.30 0.84 -2.57 -1.28 0.00 -0.75 -4.47 120.51 110.98 1j2v n ALA 28 Ca 0.01 -0.54 -0.08 0.00 0.00 0.00 0.00 53.44 52.82 1j2v n ALA 28 Cb 0.32 -0.61 -0.10 0.00 0.00 0.00 0.00 19.45 19.06 1j2v n ALA 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j2v s ALA 30 N -2.79 0.17 -0.21 0.00 0.00 -1.26 -1.26 121.76 116.41 1j2v s ALA 30 Ca -0.04 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 51.76 1j2v s ALA 30 Cb -0.00 -0.01 0.05 0.00 0.00 0.00 0.00 23.12 23.16 1j2v s ALA 30 CO -0.06 0.01 -0.05 -0.80 0.00 0.00 0.00 175.76 174.86 1j2v s ASN 31 N -0.28 3.51 -0.00 0.00 0.02 -0.22 -4.95 114.94 113.02 1j2v s ASN 31 Ca -0.02 -1.00 0.01 0.00 -1.02 0.00 0.00 52.86 50.83 1j2v s ASN 31 Cb -0.02 -1.09 -0.04 0.00 0.02 0.00 0.00 41.25 40.12 1j2v s ASN 31 CO -0.00 -0.22 0.04 -0.76 0.02 0.00 0.00 177.10 176.18 1j2v s LEU 32 N 1.48 3.70 -0.28 0.60 1.02 -1.26 -0.96 118.68 122.98 1j2v s LEU 32 Ca -0.03 0.06 -0.22 0.00 0.02 0.00 0.00 54.13 53.96 1j2v s LEU 32 Cb -0.18 -2.14 0.08 0.00 0.02 0.00 0.00 46.19 43.97 1j2v s LEU 32 CO -0.07 0.27 0.76 0.00 0.02 0.00 0.00 176.35 177.34 1j2v s ARG 33 N -1.66 0.74 0.89 1.70 3.03 -0.71 -5.00 118.95 117.93 1j2v s ARG 33 Ca 0.21 0.99 -0.11 0.00 2.03 0.00 0.00 55.73 58.86 1j2v s ARG 33 Cb -0.12 0.30 0.13 0.00 -1.03 0.00 0.00 34.95 34.23 1j2v s ARG 33 CO 0.12 -0.11 1.11 -1.21 -1.13 0.00 0.00 175.30 174.09 1j2v s GLU 34 N 0.75 1.23 -0.03 3.89 2.02 -1.26 -1.49 118.70 123.82 1j2v s GLU 34 Ca -0.03 1.28 -0.29 0.00 0.02 0.00 0.00 54.97 55.96 1j2v s GLU 34 Cb -0.05 -1.77 0.10 0.00 0.10 0.00 0.00 34.13 32.51 1j2v s GLU 34 CO -0.06 -2.39 0.86 -3.38 0.02 0.00 0.00 175.26 170.31 1j2v s HIS 35 N -2.74 -0.41 -0.29 1.61 -3.43 -0.22 -4.79 115.29 105.02 1j2v s HIS 35 Ca 0.65 0.42 -0.14 0.00 -0.80 0.00 0.00 55.06 55.19 1j2v s HIS 35 Cb -0.21 0.51 -0.03 0.00 -1.43 0.00 0.00 32.58 31.42 1j2v s HIS 35 CO 0.58 -0.53 0.35 1.03 -2.00 0.00 0.00 174.74 174.16 1j2v s ARG 36 N -2.49 3.87 -0.02 -0.38 1.81 -1.26 -0.61 118.95 119.88 1j2v s ARG 36 Ca 0.01 -0.14 -0.24 0.00 -1.72 0.00 0.00 55.73 53.64 1j2v s ARG 36 Cb -0.01 -3.70 -0.04 0.00 -0.45 0.00 0.00 34.95 30.75 1j2v s ARG 36 CO -0.05 -0.34 0.73 0.00 -0.68 0.00 0.00 175.30 174.96 1j2v s ALA 37 N 2.02 3.35 -0.27 2.13 0.00 -0.51 -4.95 121.76 123.53 1j2v s ALA 37 Ca 0.13 0.20 0.02 0.00 0.00 0.00 0.00 51.96 52.31 1j2v s ALA 37 Cb -0.16 -2.97 0.07 0.00 0.00 0.00 0.00 23.12 20.06 1j2v s ALA 37 CO 0.11 -0.02 -0.04 -0.06 0.00 0.00 0.00 175.76 175.75 1j2v s PHE 38 N 0.41 2.92 0.09 0.00 0.40 -1.26 -2.16 117.98 118.38 1j2v s PHE 38 Ca 0.38 -2.21 -0.09 0.00 -0.60 0.00 0.00 56.93 54.41 1j2v s PHE 38 Cb -0.19 -1.99 -0.00 0.00 0.51 0.00 0.00 43.02 41.35 1j2v s PHE 38 CO 0.20 -0.85 0.19 1.52 0.70 0.00 0.00 175.22 176.98 1j2v s TYR 39 N 1.21 0.14 -0.21 0.36 1.13 -0.57 -4.98 117.35 114.43 1j2v s TYR 39 Ca -0.02 -0.57 -0.29 0.00 -1.41 0.00 0.00 57.07 54.78 1j2v s TYR 39 Cb -0.19 -0.05 -0.01 0.00 -1.10 0.00 0.00 41.96 40.61 1j2v s TYR 39 CO -0.08 -0.55 1.26 -1.58 -2.51 0.00 0.00 175.55 172.09 1j2v s TRP 40 N -3.84 2.84 -0.05 -3.49 0.52 -1.26 -0.92 118.94 112.74 1j2v s TRP 40 Ca 0.05 1.01 0.00 0.00 0.02 0.00 0.00 56.10 57.18 1j2v s TRP 40 Cb 0.05 -3.59 0.02 0.00 -1.15 0.00 0.00 33.47 28.80 1j2v s TRP 40 CO -0.11 -1.61 -0.03 -0.46 0.02 0.00 0.00 176.95 174.76 1j2v s TRP 41 N 3.71 0.68 0.00 -1.98 -0.11 -0.77 -4.95 118.94 115.52 1j2v s TRP 41 Ca 0.54 -0.18 0.00 0.00 1.22 0.00 0.00 56.10 57.69 1j2v s TRP 41 Cb -0.20 -0.66 0.00 0.00 -1.50 0.00 0.00 33.47 31.11 1j2v s TRP 41 CO 0.16 -0.22 0.00 0.39 -4.62 0.00 0.00 176.95 172.66 1j2v n GLU 42 N 4.31 0.00 -0.75 5.86 1.02 -1.26 0.31 120.64 130.13 1j2v n GLU 42 Ca -0.21 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.01 1j2v n GLU 42 Cb 0.51 0.00 0.37 0.00 -0.02 0.00 0.00 31.44 32.30 1j2v n GLU 42 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1j2v n GLY 43 N 0.00 2.79 3.58 0.62 0.00 -1.26 -5.01 105.19 105.91 1j2v n GLY 43 Ca 0.00 -0.86 -0.06 0.00 0.00 0.00 0.00 46.02 45.10 1j2v n GLY 43 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j2v s LYS 44 N -2.31 0.78 -0.51 1.61 -2.85 0.15 -5.09 119.74 111.51 1j2v s LYS 44 Ca 0.51 -0.34 -0.26 0.00 -1.00 0.00 0.00 55.97 54.89 1j2v s LYS 44 Cb 0.36 0.32 0.03 0.00 -2.06 0.00 0.00 37.83 36.49 1j2v s LYS 44 CO 0.19 -0.34 1.00 0.42 0.10 0.00 0.00 175.35 176.71 1j2v s ILE 45 N -2.98 4.34 0.48 3.79 1.01 -1.26 -1.84 121.20 124.74 1j2v s ILE 45 Ca 0.08 0.67 -0.04 0.00 0.00 0.00 0.00 60.65 61.35 1j2v s ILE 45 Cb -0.01 -4.54 -0.03 0.00 0.01 0.00 0.00 42.46 37.90 1j2v s ILE 45 CO -0.06 -1.03 0.77 -1.61 0.00 0.00 0.00 174.94 173.01 1j2v s GLU 46 N 4.10 3.46 -0.07 2.79 0.41 -0.09 -4.89 118.70 124.40 1j2v s GLU 46 Ca 0.37 0.10 -0.03 0.00 -0.41 0.00 0.00 54.97 55.00 1j2v s GLU 46 Cb -0.10 -2.40 0.04 0.00 -1.78 0.00 0.00 34.13 29.89 1j2v s GLU 46 CO 0.24 -0.22 0.10 -1.21 -0.49 0.00 0.00 175.26 173.69 1j2v s GLU 47 N -4.71 -0.02 0.29 1.61 2.02 -1.26 -1.52 118.70 115.11 1j2v s GLU 47 Ca 0.47 0.42 0.03 0.00 0.02 0.00 0.00 54.97 55.91 1j2v s GLU 47 Cb -0.10 -0.51 -0.01 0.00 0.10 0.00 0.00 34.13 33.61 1j2v s GLU 47 CO 0.44 -0.35 0.32 -0.40 0.02 0.00 0.00 175.26 175.29 1j2v n ASP 48 N 5.31 -0.85 -4.72 -0.19 3.85 -0.92 -5.00 116.55 114.03 1j2v n ASP 48 Ca -0.04 -2.73 -0.35 0.00 -0.71 0.00 0.00 54.79 50.96 1j2v n ASP 48 Cb 0.50 1.75 -0.08 0.00 -1.35 0.00 0.00 41.12 41.94 1j2v n ASP 48 CO 0.00 0.00 0.00 -0.75 -1.01 0.00 0.00 177.20 175.44 1j2v s LYS 49 N -2.92 3.55 0.30 0.11 2.47 -1.26 -1.43 119.74 120.56 1j2v s LYS 49 Ca 0.29 -0.29 0.03 0.00 -1.56 0.00 0.00 55.97 54.44 1j2v s LYS 49 Cb 0.00 -3.10 -0.06 0.00 -1.46 0.00 0.00 37.83 33.22 1j2v s LYS 49 CO 0.21 0.54 0.08 -1.21 0.16 0.00 0.00 175.35 175.13 1j2v s GLU 50 N -0.39 1.56 -0.31 4.03 2.02 0.22 -4.81 118.70 121.02 1j2v s GLU 50 Ca 0.10 -1.86 0.02 0.00 0.02 0.00 0.00 54.97 53.25 1j2v s GLU 50 Cb -0.12 -0.60 0.09 0.00 0.10 0.00 0.00 34.13 33.60 1j2v s GLU 50 CO 0.02 -0.24 0.03 0.08 0.02 0.00 0.00 175.26 175.17 1j2v s VAL 51 N -3.49 1.85 0.37 2.63 1.01 -0.58 -1.06 120.40 121.14 1j2v s VAL 51 Ca 0.37 -1.92 -0.22 0.00 0.00 0.00 0.00 61.98 60.21 1j2v s VAL 51 Cb 0.08 -2.30 -0.10 0.00 0.00 0.00 0.00 36.38 34.06 1j2v s VAL 51 CO 0.15 -0.50 0.91 -0.83 0.00 0.00 0.00 175.10 174.82 1j2v s GLY 52 N 1.15 2.53 -0.02 4.51 0.00 -0.55 0.01 107.32 114.94 1j2v s GLY 52 Ca 0.07 0.38 0.04 0.00 0.00 0.00 0.00 44.72 45.21 1j2v s GLY 52 CO -0.11 0.71 -0.14 0.00 0.00 0.00 0.00 173.10 173.55 1j2v s ALA 53 N -1.93 1.22 -0.36 3.20 0.00 0.13 -1.74 121.76 122.28 1j2v s ALA 53 Ca 0.56 -0.58 -0.04 0.00 0.00 0.00 0.00 51.96 51.90 1j2v s ALA 53 Cb -0.13 -0.36 0.07 0.00 0.00 0.00 0.00 23.12 22.70 1j2v s ALA 53 CO 0.17 0.26 0.12 0.42 0.00 0.00 0.00 175.76 176.73 1j2v s ILE 54 N -0.13 3.40 -0.03 0.00 1.01 -0.13 -2.30 121.20 123.02 1j2v s ILE 54 Ca 0.01 -1.55 -0.08 0.00 0.00 0.00 0.00 60.65 59.03 1j2v s ILE 54 Cb -0.08 -3.09 -0.05 0.00 0.01 0.00 0.00 42.46 39.26 1j2v s ILE 54 CO 0.00 -0.36 0.26 -0.76 0.00 0.00 0.00 174.94 174.08 1j2v s LEU 55 N 1.27 4.40 -0.12 2.97 1.43 0.38 -1.05 118.68 127.95 1j2v s LEU 55 Ca 0.01 0.61 -0.00 0.00 -1.03 0.00 0.00 54.13 53.72 1j2v s LEU 55 Cb -0.21 -2.46 0.03 0.00 0.03 0.00 0.00 46.19 43.57 1j2v s LEU 55 CO -0.01 0.32 -0.09 -0.54 0.23 0.00 0.00 176.35 176.26 1j2v s LYS 56 N -1.38 1.65 0.00 1.70 1.02 -0.39 -0.95 119.74 121.39 1j2v s LYS 56 Ca 0.23 -0.33 0.00 0.00 0.02 0.00 0.00 55.97 55.89 1j2v s LYS 56 Cb -0.14 -1.71 0.00 0.00 -0.52 0.00 0.00 37.83 35.46 1j2v s LYS 56 CO 0.12 -0.28 0.00 -2.37 -0.92 0.00 0.00 175.35 171.90 1j2v n THR 57 N 4.91 0.00 -2.90 2.17 5.66 -1.08 -1.81 114.28 121.22 1j2v n THR 57 Ca -0.13 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.51 1j2v n THR 57 Cb 0.50 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.21 1j2v n THR 57 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1j2v s ARG 58 N 0.22 4.39 0.23 1.09 0.52 -1.26 -1.58 118.95 122.56 1j2v s ARG 58 Ca 0.00 1.11 -0.06 0.00 -0.52 0.00 0.00 55.73 56.26 1j2v s ARG 58 Cb 0.00 -2.68 0.22 0.00 0.52 0.00 0.00 34.95 33.01 1j2v s ARG 58 CO 0.00 0.25 1.84 1.05 0.02 0.00 0.00 175.30 178.46 1j2v h GLU 59 N 2.94 1.21 -0.00 3.54 4.11 -2.02 -1.36 114.58 123.01 1j2v h GLU 59 Ca -0.48 -0.16 0.00 0.00 0.07 0.00 0.00 59.36 58.79 1j2v h GLU 59 Cb 1.19 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 30.21 1j2v h GLU 59 CO 0.64 0.91 0.01 0.38 0.07 0.00 0.00 179.01 181.03 1j2v h ASP 60 N 1.21 0.00 1.42 3.06 2.03 -2.04 -1.38 116.42 120.72 1j2v h ASP 60 Ca 0.30 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.60 1j2v h ASP 60 Cb 0.09 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.59 1j2v h ASP 60 CO -0.04 0.00 -0.41 -0.07 -1.03 0.00 0.00 179.24 177.69 1j2v h LEU 61 N 0.00 0.00 -0.87 0.15 3.38 -1.64 -3.39 115.31 112.94 1j2v h LEU 61 Ca 0.00 -0.04 0.17 0.00 0.09 0.00 0.00 57.88 58.10 1j2v h LEU 61 Cb 0.03 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 40.62 1j2v h LEU 61 CO -0.00 0.02 -0.25 1.87 0.09 0.00 0.00 178.44 180.17 1j2v n TRP 62 N -2.67 0.25 0.23 1.13 -0.00 -0.52 -1.04 117.44 114.82 1j2v n TRP 62 Ca 0.03 1.07 -0.11 0.00 -0.00 0.00 0.00 57.50 58.48 1j2v n TRP 62 Cb 0.50 -0.97 -0.06 0.00 -0.00 0.00 0.00 31.31 30.79 1j2v n TRP 62 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 177.69 179.18 1j2v h GLU 63 N 0.00 -0.65 -0.08 5.87 4.57 -1.81 -1.23 114.58 121.26 1j2v h GLU 63 Ca 0.39 0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.61 1j2v h GLU 63 Cb 0.61 0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 29.35 1j2v h GLU 63 CO -0.89 -0.43 0.02 1.05 -1.18 0.00 0.00 179.01 177.57 1j2v h GLU 64 N -0.67 0.11 -0.19 1.92 4.11 -1.71 -1.83 114.58 116.31 1j2v h GLU 64 Ca -0.05 -0.01 -0.08 0.00 0.07 0.00 0.00 59.36 59.29 1j2v h GLU 64 Cb 0.55 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 1j2v h GLU 64 CO 0.03 0.10 -0.18 1.25 0.07 0.00 0.00 179.01 180.29 1j2v h LEU 65 N 0.11 0.48 -0.75 3.06 5.85 -1.03 0.82 115.31 123.85 1j2v h LEU 65 Ca 0.03 -0.47 0.03 0.00 0.84 0.00 0.00 57.88 58.31 1j2v h LEU 65 Cb 0.05 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 1j2v h LEU 65 CO -0.00 0.85 0.47 0.50 -0.34 0.00 0.00 178.44 179.92 1j2v h LYS 66 N 0.12 0.88 0.43 1.25 3.64 -0.71 -0.99 116.57 121.20 1j2v h LYS 66 Ca 0.03 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 1j2v h LYS 66 Cb 0.71 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1j2v h LYS 66 CO 0.04 0.58 -0.21 0.93 -2.27 0.00 0.00 179.45 178.53 1j2v h GLU 67 N 0.91 -0.56 -0.84 1.90 5.08 -1.23 -2.45 114.58 117.38 1j2v h GLU 67 Ca 0.30 0.04 0.16 0.00 -1.00 0.00 0.00 59.36 58.86 1j2v h GLU 67 Cb 0.04 0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.35 1j2v h GLU 67 CO -0.12 -0.36 0.55 -0.09 -1.00 0.00 0.00 179.01 178.00 1j2v h ARG 68 N -0.61 0.50 -0.11 2.33 9.65 -0.12 -2.03 114.38 123.99 1j2v h ARG 68 Ca -0.06 -0.03 -0.23 0.00 -1.10 0.00 0.00 59.98 58.56 1j2v h ARG 68 Cb 0.46 -0.11 0.01 0.00 -1.39 0.00 0.00 29.97 28.94 1j2v h ARG 68 CO 0.10 0.33 -0.85 0.82 2.80 0.00 0.00 179.97 183.17 1j2v h ILE 69 N 0.51 1.29 -0.59 1.20 2.04 -1.07 -1.78 117.51 119.10 1j2v h ILE 69 Ca 0.43 -2.07 0.09 0.00 1.00 0.00 0.00 64.86 64.31 1j2v h ILE 69 Cb 0.89 2.10 -0.07 0.00 -0.74 0.00 0.00 36.82 39.01 1j2v h ILE 69 CO -0.17 0.65 0.22 0.11 0.00 0.00 0.00 178.15 178.97 1j2v h LYS 70 N 0.48 0.40 0.00 2.37 1.57 -0.89 0.61 116.57 121.11 1j2v h LYS 70 Ca -0.07 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.64 1j2v h LYS 70 Cb 1.48 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.70 1j2v h LYS 70 CO 0.17 0.26 -0.19 0.93 -0.57 0.00 0.00 179.45 180.06 1j2v h GLU 71 N 0.41 0.00 0.00 3.15 5.08 -1.13 -3.30 114.58 118.79 1j2v h GLU 71 Ca 0.29 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.55 1j2v h GLU 71 Cb 0.34 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1j2v h GLU 71 CO -0.29 0.19 -1.93 1.28 -1.00 0.00 0.00 179.01 177.26 1j2v n LEU 72 N -3.45 0.00 -4.75 1.33 4.77 -0.35 -5.02 117.00 109.53 1j2v n LEU 72 Ca -0.01 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.56 1j2v n LEU 72 Cb 0.36 0.14 -0.02 0.00 -2.33 0.00 0.00 43.42 41.57 1j2v n LEU 72 CO 0.32 0.14 1.05 -2.28 -1.33 0.00 0.00 177.39 175.30 1j2v s HIS 73 N -2.95 3.09 0.40 -1.77 2.46 0.20 -4.90 115.29 111.83 1j2v s HIS 73 Ca -0.07 1.13 0.07 0.00 0.47 0.00 0.00 55.06 56.67 1j2v s HIS 73 Cb 0.09 -3.74 0.84 0.00 -0.13 0.00 0.00 32.58 29.64 1j2v s HIS 73 CO 0.72 -2.33 2.03 -1.35 -2.47 0.00 0.00 174.74 171.34 1j2v h PRO 74 N 4.92 0.48 -6.58 2.88 0.11 -1.92 -3.43 132.00 128.45 1j2v h PRO 74 Ca -0.46 -0.04 -0.52 0.00 0.11 0.00 0.00 66.00 65.08 1j2v h PRO 74 Cb 1.22 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1j2v h PRO 74 CO 0.76 0.37 0.47 0.71 -0.21 0.00 0.00 178.00 180.09 1j2v s TYR 75 N -5.34 3.60 0.52 0.65 2.02 -1.26 -4.91 117.35 112.63 1j2v s TYR 75 Ca -0.08 1.57 0.25 0.00 -0.37 0.00 0.00 57.07 58.45 1j2v s TYR 75 Cb 0.17 -3.26 1.56 0.00 -0.40 0.00 0.00 41.96 40.03 1j2v s TYR 75 CO 0.73 -0.58 2.17 0.22 -1.57 0.00 0.00 175.55 176.52 1j2v h ASP 76 N 5.70 0.00 -2.38 2.29 -0.00 -1.97 -3.33 116.42 116.73 1j2v h ASP 76 Ca -0.43 0.00 -0.50 0.00 -0.00 0.00 0.00 57.03 56.10 1j2v h ASP 76 Cb 1.21 0.00 -0.36 0.00 -0.00 0.00 0.00 39.33 40.18 1j2v h ASP 76 CO 0.74 0.05 -0.78 -0.69 -0.00 0.00 0.00 179.24 178.57 1j2v s VAL 77 N -4.58 -0.06 0.86 2.25 1.01 -1.26 -5.13 120.40 113.49 1j2v s VAL 77 Ca -0.04 -1.32 -0.10 0.00 0.00 0.00 0.00 61.98 60.51 1j2v s VAL 77 Cb 0.15 -0.95 0.11 0.00 0.00 0.00 0.00 36.38 35.69 1j2v s VAL 77 CO 0.59 -0.81 1.13 -2.84 0.00 0.00 0.00 175.10 173.17 1j2v s PRO 78 N 1.36 1.46 -0.26 2.72 0.02 -1.25 -5.01 135.00 134.04 1j2v s PRO 78 Ca 0.16 1.45 -0.11 0.00 0.02 0.00 0.00 61.00 62.52 1j2v s PRO 78 Cb -0.19 -1.79 -0.05 0.00 0.02 0.00 0.00 34.50 32.49 1j2v s PRO 78 CO -0.06 -2.28 0.19 0.00 -0.33 0.00 0.00 177.00 174.52 1j2v s ALA 79 N -2.69 3.57 -0.35 -1.55 0.00 -1.26 -5.02 121.76 114.46 1j2v s ALA 79 Ca 0.65 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 51.65 1j2v s ALA 79 Cb -0.21 -2.42 0.11 0.00 0.00 0.00 0.00 23.12 20.59 1j2v s ALA 79 CO 0.57 -0.39 0.12 0.42 0.00 0.00 0.00 175.76 176.48 1j2v s ILE 80 N 1.45 1.27 -0.20 0.00 1.01 -1.26 -3.98 121.20 119.49 1j2v s ILE 80 Ca 0.08 -1.86 -0.04 0.00 0.00 0.00 0.00 60.65 58.83 1j2v s ILE 80 Cb -0.15 -1.94 -0.02 0.00 0.01 0.00 0.00 42.46 40.37 1j2v s ILE 80 CO 0.08 -0.71 -0.03 -0.63 0.00 0.00 0.00 174.94 173.64 1j2v s ILE 81 N 1.18 3.62 -0.23 2.92 1.01 -0.45 -4.96 121.20 124.29 1j2v s ILE 81 Ca 0.12 -0.42 -0.09 0.00 0.00 0.00 0.00 60.65 60.26 1j2v s ILE 81 Cb -0.19 -2.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.60 1j2v s ILE 81 CO -0.16 0.44 0.12 -0.60 0.00 0.00 0.00 174.94 174.74 1j2v s ARG 82 N 1.12 3.96 -0.22 2.79 3.52 -1.26 -0.29 118.95 128.56 1j2v s ARG 82 Ca 0.02 -0.33 0.01 0.00 -0.13 0.00 0.00 55.73 55.30 1j2v s ARG 82 Cb -0.15 -3.42 0.05 0.00 -1.56 0.00 0.00 34.95 29.87 1j2v s ARG 82 CO 0.00 0.05 -0.09 0.42 -0.81 0.00 0.00 175.30 174.88 1j2v s ILE 83 N 1.03 1.72 0.45 4.11 -1.09 0.18 -4.96 121.20 122.64 1j2v s ILE 83 Ca 0.06 -1.22 -0.24 0.00 -2.23 0.00 0.00 60.65 57.03 1j2v s ILE 83 Cb -0.14 -1.87 -0.07 0.00 -1.58 0.00 0.00 42.46 38.80 1j2v s ILE 83 CO 0.04 0.03 1.20 -1.81 -1.23 0.00 0.00 174.94 173.17 1j2v s ASP 84 N 1.33 6.16 -0.25 3.58 1.01 -1.26 0.20 116.67 127.44 1j2v s ASP 84 Ca -0.04 2.40 -0.14 0.00 0.71 0.00 0.00 52.55 55.48 1j2v s ASP 84 Cb -0.18 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.10 1j2v s ASP 84 CO -0.07 -0.93 0.32 -0.69 0.21 0.00 0.00 175.17 174.01 1j2v s VAL 85 N -1.46 5.23 -1.14 -1.27 1.01 -1.26 -4.84 120.40 116.67 1j2v s VAL 85 Ca 0.62 0.50 0.21 0.00 0.00 0.00 0.00 61.98 63.31 1j2v s VAL 85 Cb -0.31 -3.65 0.24 0.00 0.00 0.00 0.00 36.38 32.65 1j2v s VAL 85 CO 0.38 0.23 1.67 0.47 0.00 0.00 0.00 175.10 177.85 1j2v n ASP 86 N 4.88 0.00 0.00 3.32 9.92 -1.26 -4.85 116.55 128.56 1j2v n ASP 86 Ca -0.10 0.33 0.00 0.00 -0.53 0.00 0.00 54.79 54.49 1j2v n ASP 86 Cb 0.51 -0.43 0.00 0.00 -0.64 0.00 0.00 41.12 40.56 1j2v n ASP 86 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1j2v n ASP 87 N -1.43 0.00 -3.66 -2.24 -0.08 -1.26 -5.18 116.55 102.70 1j2v n ASP 87 Ca 0.07 0.00 -0.15 0.00 -1.51 0.00 0.00 54.79 53.19 1j2v n ASP 87 Cb 0.22 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.60 1j2v n ASP 87 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1j2v s VAL 88 N -1.94 0.03 0.54 5.18 0.11 -1.26 -5.16 120.40 117.91 1j2v s VAL 88 Ca 0.00 -0.25 -0.20 0.00 -2.93 0.00 0.00 61.98 58.60 1j2v s VAL 88 Cb 0.00 -0.78 -0.05 0.00 -1.53 0.00 0.00 36.38 34.02 1j2v s VAL 88 CO 0.00 -0.14 1.21 0.54 -3.33 0.00 0.00 175.10 173.38 1j2v s ASN 89 N -1.16 5.53 -1.31 3.54 4.22 -1.26 -4.92 114.94 119.59 1j2v s ASN 89 Ca -0.12 2.39 -0.18 0.00 -2.14 0.00 0.00 52.86 52.82 1j2v s ASN 89 Cb -0.03 -2.60 0.07 0.00 1.28 0.00 0.00 41.25 39.97 1j2v s ASN 89 CO 0.06 -1.36 1.77 1.21 -2.04 0.00 0.00 177.10 176.74 1j2v n GLU 90 N -1.18 3.18 0.05 3.55 4.07 -1.26 -2.67 120.64 126.37 1j2v n GLU 90 Ca 0.11 -3.25 0.00 0.00 -0.06 0.00 0.00 57.16 53.96 1j2v n GLU 90 Cb 0.49 -3.47 0.00 0.00 -0.06 0.00 0.00 31.44 28.40 1j2v n GLU 90 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 1j2v n ASP 91 N 8.13 -0.82 -0.33 4.31 -0.08 -1.26 -5.02 116.55 121.48 1j2v n ASP 91 Ca 0.49 0.41 0.02 0.00 -1.51 0.00 0.00 54.79 54.20 1j2v n ASP 91 Cb 0.45 1.04 0.08 0.00 2.34 0.00 0.00 41.12 45.03 1j2v n ASP 91 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1j2v n TYR 92 N -2.67 0.19 0.27 -0.67 9.36 -1.09 0.27 117.16 122.81 1j2v n TYR 92 Ca 0.00 1.09 0.15 0.00 3.32 0.00 0.00 57.90 62.46 1j2v n TYR 92 Cb 0.00 -0.93 0.74 0.00 -0.63 0.00 0.00 39.34 38.51 1j2v n TYR 92 CO 0.00 0.00 0.00 1.25 0.22 0.00 0.00 176.86 178.33 1j2v h LEU 93 N 0.00 0.00 0.07 2.98 5.85 -1.91 0.10 115.31 122.40 1j2v h LEU 93 Ca 0.37 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.82 1j2v h LEU 93 Cb 0.60 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.63 1j2v h LEU 93 CO -0.90 0.09 -1.20 0.11 -0.34 0.00 0.00 178.44 176.20 1j2v h LYS 94 N 0.00 0.33 -0.01 1.25 1.57 -0.49 -1.42 116.57 117.80 1j2v h LYS 94 Ca -0.00 -0.50 -0.08 0.00 -1.87 0.00 0.00 60.65 58.19 1j2v h LYS 94 Cb 0.42 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1j2v h LYS 94 CO 0.01 1.22 -0.39 2.35 -0.57 0.00 0.00 179.45 182.07 1j2v h TRP 95 N 0.12 0.03 0.16 -1.35 7.01 -0.14 -2.22 115.95 119.55 1j2v h TRP 95 Ca -0.13 -0.01 -0.29 0.00 2.11 0.00 0.00 58.89 60.57 1j2v h TRP 95 Cb 1.90 -0.01 0.01 0.00 -2.10 0.00 0.00 29.16 28.97 1j2v h TRP 95 CO 0.07 0.41 -1.30 1.25 -2.79 0.00 0.00 178.44 176.08 1j2v h LEU 96 N 0.02 0.55 -0.61 0.65 6.46 -0.76 -2.63 115.31 119.00 1j2v h LEU 96 Ca -0.00 -0.58 -0.07 0.00 -0.12 0.00 0.00 57.88 57.11 1j2v h LEU 96 Cb 0.70 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.43 1j2v h LEU 96 CO 0.05 1.45 0.12 0.40 -0.62 0.00 0.00 178.44 179.84 1j2v h ILE 97 N 0.10 1.26 -0.64 4.05 2.04 -1.10 -2.78 117.51 120.43 1j2v h ILE 97 Ca -0.17 -0.97 -0.08 0.00 1.00 0.00 0.00 64.86 64.64 1j2v h ILE 97 Cb 2.01 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 38.78 1j2v h ILE 97 CO 0.22 0.36 0.08 -0.08 0.00 0.00 0.00 178.15 178.73 1j2v h GLU 98 N 0.90 1.08 0.00 2.37 4.57 -1.47 -3.12 114.58 118.91 1j2v h GLU 98 Ca 0.19 -0.31 0.00 0.00 -1.18 0.00 0.00 59.36 58.06 1j2v h GLU 98 Cb 0.40 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.87 1j2v h GLU 98 CO 0.01 1.01 0.00 0.39 -1.18 0.00 0.00 179.01 179.24 1j2v n GLU 99 N -4.22 0.07 -4.61 1.92 -0.58 -0.99 -4.77 120.64 107.46 1j2v n GLU 99 Ca 0.04 0.14 -0.33 0.00 -0.42 0.00 0.00 57.16 56.58 1j2v n GLU 99 Cb 0.31 -1.50 -0.12 0.00 -0.57 0.00 0.00 31.44 29.55 1j2v n GLU 99 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1j2v s THR 100 N -2.89 3.57 0.43 2.62 -4.23 -1.07 -4.67 115.64 109.39 1j2v s THR 100 Ca 0.12 -0.50 -0.18 0.00 -1.18 0.00 0.00 61.69 59.95 1j2v s THR 100 Cb 0.13 -2.50 -0.14 0.00 1.34 0.00 0.00 72.50 71.33 1j2v s THR 100 CO 0.36 0.55 -0.02 2.29 -0.54 0.00 0.00 174.62 177.25 1j2v n LYS 101 N 2.95 0.00 0.00 3.99 2.85 -0.20 -4.96 118.16 122.79 1j2v n LYS 101 Ca -0.18 0.00 0.12 0.00 -1.05 0.00 0.00 58.31 57.20 1j2v n LYS 101 Cb 0.53 -0.94 0.10 0.00 -0.65 0.00 0.00 35.03 34.06 1j2v n LYS 101 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98