#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jvy s GLN 2 N 0.00 3.37 -0.23 0.54 0.74 -1.26 -5.10 119.66 117.72 3jvy s GLN 2 Ca 0.00 -0.64 -0.04 0.00 0.05 0.00 0.00 55.36 54.73 3jvy s GLN 2 Cb 0.00 -3.10 -0.01 0.00 1.10 0.00 0.00 33.01 31.00 3jvy s GLN 2 CO 0.00 -0.23 -0.02 0.42 -0.55 0.00 0.00 175.29 174.91 3jvy s ILE 3 N 1.50 3.46 0.84 -2.34 1.01 -1.26 -5.10 121.20 119.31 3jvy s ILE 3 Ca 0.05 -0.53 -0.10 0.00 0.00 0.00 0.00 60.65 60.07 3jvy s ILE 3 Cb -0.15 -2.62 0.15 0.00 0.01 0.00 0.00 42.46 39.85 3jvy s ILE 3 CO -0.02 0.36 1.17 0.42 0.00 0.00 0.00 174.94 176.88 3jvy s THR 4 N 1.48 2.08 -0.13 2.92 -4.23 -1.26 -4.99 115.64 111.51 3jvy s THR 4 Ca 0.05 -0.21 0.18 0.00 -1.18 0.00 0.00 61.69 60.54 3jvy s THR 4 Cb -0.15 -2.88 0.30 0.00 1.34 0.00 0.00 72.50 71.11 3jvy s THR 4 CO -0.02 0.00 1.15 0.18 -0.54 0.00 0.00 174.62 175.39 3jvy n LEU 5 N -3.34 2.35 -0.05 4.79 4.77 -1.26 -4.51 117.00 119.75 3jvy n LEU 5 Ca 0.13 -3.13 0.02 0.00 -0.03 0.00 0.00 56.01 53.01 3jvy n LEU 5 Cb 0.60 -0.43 0.35 0.00 -2.33 0.00 0.00 43.42 41.60 3jvy n LEU 5 CO 0.47 0.76 1.12 -0.50 -1.33 0.00 0.00 177.39 177.91 3jvy h TRP 6 N 0.08 0.63 -1.92 -1.77 -0.00 -2.06 -3.44 115.95 107.48 3jvy h TRP 6 Ca -0.00 -0.01 -0.58 0.00 -0.00 0.00 0.00 58.89 58.31 3jvy h TRP 6 Cb 1.01 -0.21 -0.13 0.00 -0.00 0.00 0.00 29.16 29.83 3jvy h TRP 6 CO 0.06 0.45 -0.57 0.15 -0.00 0.00 0.00 178.44 178.53 3jvy s LYS 7 N -5.44 1.91 0.25 0.49 1.02 -1.26 -5.10 119.74 111.60 3jvy s LYS 7 Ca -0.09 -2.13 -0.31 0.00 0.02 0.00 0.00 55.97 53.47 3jvy s LYS 7 Cb 0.17 -1.19 -0.11 0.00 -0.52 0.00 0.00 37.83 36.18 3jvy s LYS 7 CO 0.75 -0.24 1.58 1.03 -0.92 0.00 0.00 175.35 177.55 3jvy s ARG 8 N -3.80 4.17 -1.23 1.68 0.52 -1.26 -4.86 118.95 114.16 3jvy s ARG 8 Ca 0.27 2.49 -0.20 0.00 -0.52 0.00 0.00 55.73 57.77 3jvy s ARG 8 Cb 0.06 -3.07 0.04 0.00 0.52 0.00 0.00 34.95 32.50 3jvy s ARG 8 CO 0.13 -0.60 1.73 -1.25 0.02 0.00 0.00 175.30 175.33 3jvy s PRO 9 N 0.12 3.68 0.04 3.54 0.04 -1.26 -4.97 135.00 136.19 3jvy s PRO 9 Ca 0.66 -1.71 -0.12 0.00 0.04 0.00 0.00 61.00 59.86 3jvy s PRO 9 Cb -0.46 -5.46 -0.06 0.00 0.04 0.00 0.00 34.50 28.56 3jvy s PRO 9 CO 0.41 -2.53 0.41 -0.51 0.04 0.00 0.00 177.00 174.82 3jvy s LEU 10 N 5.47 4.40 0.11 -3.56 1.43 -1.26 -1.37 118.68 123.89 3jvy s LEU 10 Ca 0.55 0.88 -0.01 0.00 -1.03 0.00 0.00 54.13 54.52 3jvy s LEU 10 Cb 0.02 -2.81 -0.04 0.00 0.03 0.00 0.00 46.19 43.40 3jvy s LEU 10 CO 0.06 0.24 0.03 0.68 0.23 0.00 0.00 176.35 177.59 3jvy s VAL 11 N -1.26 0.17 0.07 -1.59 -7.23 0.98 -4.94 120.40 106.59 3jvy s VAL 11 Ca 0.29 -1.88 -0.21 0.00 -1.81 0.00 0.00 61.98 58.37 3jvy s VAL 11 Cb -0.15 -1.88 -0.06 0.00 0.56 0.00 0.00 36.38 34.84 3jvy s VAL 11 CO 0.16 -0.63 0.62 -0.89 -0.31 0.00 0.00 175.10 174.04 3jvy s THR 12 N -3.99 4.72 0.17 5.32 2.01 -1.26 -0.63 115.64 121.99 3jvy s THR 12 Ca 0.19 1.33 0.08 0.00 0.31 0.00 0.00 61.69 63.60 3jvy s THR 12 Cb 0.08 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.59 3jvy s THR 12 CO -0.02 0.50 -0.17 0.27 -0.69 0.00 0.00 174.62 174.51 3jvy s ILE 13 N -0.81 1.80 -0.14 1.82 -4.36 0.11 -1.82 121.20 117.79 3jvy s ILE 13 Ca 0.31 -1.97 0.02 0.00 -0.26 0.00 0.00 60.65 58.75 3jvy s ILE 13 Cb -0.20 -1.88 0.01 0.00 1.25 0.00 0.00 42.46 41.65 3jvy s ILE 13 CO 0.20 -0.37 -0.22 -0.75 0.24 0.00 0.00 174.94 174.04 3jvy s LYS 14 N -2.96 3.01 -0.11 0.37 2.20 -0.05 -1.43 119.74 120.78 3jvy s LYS 14 Ca 0.17 -0.85 -0.07 0.00 -0.36 0.00 0.00 55.97 54.86 3jvy s LYS 14 Cb -0.05 -2.43 0.04 0.00 -1.51 0.00 0.00 37.83 33.88 3jvy s LYS 14 CO 0.07 -0.02 0.26 -1.50 -0.36 0.00 0.00 175.35 173.80 3jvy s ILE 15 N 0.83 -0.02 -1.25 5.43 2.07 -0.11 -1.56 121.20 126.58 3jvy s ILE 15 Ca -0.07 0.09 -0.01 0.00 -1.41 0.00 0.00 60.65 59.26 3jvy s ILE 15 Cb -0.15 -0.39 0.00 0.00 0.13 0.00 0.00 42.46 42.05 3jvy s ILE 15 CO -0.02 0.04 0.06 0.61 -1.91 0.00 0.00 174.94 173.71 3jvy n GLY 16 N 3.77 -0.50 2.24 1.50 0.00 -1.26 -0.49 105.19 110.45 3jvy n GLY 16 Ca -0.21 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3jvy n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jvy n GLY 17 N -0.90 1.00 3.61 -0.02 0.00 -1.26 -5.02 105.19 102.59 3jvy n GLY 17 Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 3jvy n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3jvy s GLN 18 N -0.25 2.70 -0.06 1.61 -0.21 0.36 -5.10 119.66 118.70 3jvy s GLN 18 Ca 0.00 -0.61 -0.20 0.00 0.02 0.00 0.00 55.36 54.57 3jvy s GLN 18 Cb 0.00 -2.59 -0.05 0.00 1.00 0.00 0.00 33.01 31.38 3jvy s GLN 18 CO 0.00 0.64 0.55 -0.51 -2.12 0.00 0.00 175.29 173.85 3jvy s LEU 19 N -1.16 4.34 0.05 2.90 1.43 -1.26 -0.94 118.68 124.05 3jvy s LEU 19 Ca 0.15 1.01 -0.04 0.00 -1.03 0.00 0.00 54.13 54.22 3jvy s LEU 19 Cb -0.11 -2.84 -0.02 0.00 0.03 0.00 0.00 46.19 43.25 3jvy s LEU 19 CO 0.05 0.03 0.07 -0.54 0.23 0.00 0.00 176.35 176.19 3jvy s LYS 20 N 0.27 0.65 0.06 1.70 1.02 -0.51 -4.99 119.74 117.94 3jvy s LYS 20 Ca 0.30 -0.98 -0.13 0.00 0.02 0.00 0.00 55.97 55.18 3jvy s LYS 20 Cb -0.17 0.25 -0.06 0.00 -0.52 0.00 0.00 37.83 37.33 3jvy s LYS 20 CO 0.14 -0.16 0.44 -2.00 -0.92 0.00 0.00 175.35 172.85 3jvy s GLU 21 N -3.38 3.88 0.04 1.68 2.12 -1.26 0.05 118.70 121.83 3jvy s GLU 21 Ca 0.02 0.35 -0.11 0.00 0.36 0.00 0.00 54.97 55.58 3jvy s GLU 21 Cb 0.03 -3.09 0.01 0.00 0.26 0.00 0.00 34.13 31.35 3jvy s GLU 21 CO -0.08 0.60 0.24 0.00 -0.54 0.00 0.00 175.26 175.49 3jvy s ALA 22 N -1.27 -0.51 -0.12 6.30 0.00 0.20 -4.43 121.76 121.94 3jvy s ALA 22 Ca 0.30 -0.14 -0.16 0.00 0.00 0.00 0.00 51.96 51.96 3jvy s ALA 22 Cb -0.15 0.29 -0.05 0.00 0.00 0.00 0.00 23.12 23.21 3jvy s ALA 22 CO 0.16 -0.38 0.39 -1.17 0.00 0.00 0.00 175.76 174.76 3jvy s LEU 23 N -2.05 4.29 -0.40 0.00 2.96 -0.17 -0.01 118.68 123.30 3jvy s LEU 23 Ca -0.05 0.71 -0.27 0.00 -0.22 0.00 0.00 54.13 54.29 3jvy s LEU 23 Cb -0.01 -2.54 0.02 0.00 0.50 0.00 0.00 46.19 44.16 3jvy s LEU 23 CO -0.03 0.10 1.02 -0.76 -1.32 0.00 0.00 176.35 175.36 3jvy s LEU 24 N 0.28 3.87 -0.31 -0.68 1.43 -0.47 -0.68 118.68 122.12 3jvy s LEU 24 Ca 0.22 0.59 0.00 0.00 -1.03 0.00 0.00 54.13 53.91 3jvy s LEU 24 Cb -0.14 -3.40 0.10 0.00 0.03 0.00 0.00 46.19 42.77 3jvy s LEU 24 CO 0.08 -1.01 0.08 -0.62 0.23 0.00 0.00 176.35 175.11 3jvy s ASP 25 N 2.06 4.19 0.32 2.29 -1.08 -0.17 -4.82 116.67 119.45 3jvy s ASP 25 Ca 0.43 -1.74 0.25 0.00 -0.52 0.00 0.00 52.55 50.97 3jvy s ASP 25 Cb -0.10 -1.06 1.09 0.00 -1.46 0.00 0.00 42.92 41.39 3jvy s ASP 25 CO 0.23 -0.40 1.76 0.71 0.52 0.00 0.00 175.17 177.99 3jvy h THR 26 N 6.53 0.00 -0.01 1.71 1.35 -1.95 -2.53 112.91 118.01 3jvy h THR 26 Ca -0.11 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 3jvy h THR 26 Cb 1.02 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 3jvy h THR 26 CO 0.48 0.00 -0.02 0.61 -0.25 0.00 0.00 175.52 176.34 3jvy n GLY 27 N -0.12 -0.45 3.55 5.82 0.00 -1.26 -4.81 105.19 107.91 3jvy n GLY 27 Ca 0.01 -0.34 -0.34 0.00 0.00 0.00 0.00 46.02 45.35 3jvy n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jvy s ALA 28 N -2.07 2.95 -0.05 4.61 0.00 -0.95 -5.04 121.76 121.20 3jvy s ALA 28 Ca 0.40 -0.88 -0.22 0.00 0.00 0.00 0.00 51.96 51.25 3jvy s ALA 28 Cb 0.21 -1.28 -0.30 0.00 0.00 0.00 0.00 23.12 21.75 3jvy s ALA 28 CO 0.37 0.48 0.90 -0.44 0.00 0.00 0.00 175.76 177.07 3jvy h ASP 29 N 5.63 0.43 -4.25 0.00 3.32 -1.89 -1.09 116.42 118.56 3jvy h ASP 29 Ca -0.44 -0.94 -0.51 0.00 0.02 0.00 0.00 57.03 55.16 3jvy h ASP 29 Cb 1.18 -0.14 -0.29 0.00 0.22 0.00 0.00 39.33 40.30 3jvy h ASP 29 CO 0.54 1.34 -0.82 -1.81 -1.72 0.00 0.00 179.24 176.77 3jvy s ASP 30 N -6.88 1.82 0.25 6.45 1.01 -1.26 -2.64 116.67 115.41 3jvy s ASP 30 Ca -0.14 -0.29 -0.30 0.00 0.71 0.00 0.00 52.55 52.53 3jvy s ASP 30 Cb 0.01 -0.20 -0.10 0.00 1.01 0.00 0.00 42.92 43.64 3jvy s ASP 30 CO 0.82 0.18 1.37 -0.89 0.21 0.00 0.00 175.17 176.86 3jvy s THR 31 N -0.40 2.83 -0.05 -1.27 2.01 -1.26 -4.61 115.64 112.89 3jvy s THR 31 Ca 0.06 0.72 0.01 0.00 0.31 0.00 0.00 61.69 62.79 3jvy s THR 31 Cb -0.06 -3.46 0.02 0.00 0.01 0.00 0.00 72.50 69.01 3jvy s THR 31 CO -0.00 0.13 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.29 3jvy s VAL 32 N -0.22 0.75 0.07 3.82 1.01 -0.64 -0.58 120.40 124.61 3jvy s VAL 32 Ca 0.56 -0.24 0.09 0.00 0.00 0.00 0.00 61.98 62.39 3jvy s VAL 32 Cb -0.40 -0.74 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 3jvy s VAL 32 CO 0.44 0.28 -0.24 -0.51 0.00 0.00 0.00 175.10 175.07 3jvy s ILE 33 N 0.89 1.93 0.89 2.22 2.07 -0.02 -0.62 121.20 128.56 3jvy s ILE 33 Ca -0.11 -1.43 -0.11 0.00 -1.41 0.00 0.00 60.65 57.59 3jvy s ILE 33 Cb -0.15 -1.69 0.12 0.00 0.13 0.00 0.00 42.46 40.87 3jvy s ILE 33 CO 0.01 0.18 1.07 -0.62 -1.91 0.00 0.00 174.94 173.67 3jvy n GLU 34 N 1.51 -0.28 -1.63 3.50 1.02 -1.26 -1.72 120.64 121.77 3jvy n GLU 34 Ca -0.18 -0.01 -0.51 0.00 -0.02 0.00 0.00 57.16 56.44 3jvy n GLU 34 Cb 0.53 -2.32 -0.06 0.00 -0.02 0.00 0.00 31.44 29.57 3jvy n GLU 34 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3jvy n GLU 35 N -3.68 1.48 -3.56 3.49 -0.58 -1.22 -4.59 120.64 111.98 3jvy n GLU 35 Ca 0.12 0.53 -0.10 0.00 -0.42 0.00 0.00 57.16 57.29 3jvy n GLU 35 Cb 0.52 -2.23 -0.02 0.00 -0.57 0.00 0.00 31.44 29.14 3jvy n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3jvy s MET 36 N 1.23 1.35 0.03 3.49 0.23 -1.26 -5.03 119.30 119.33 3jvy s MET 36 Ca 0.85 -0.59 -0.22 0.00 -1.03 0.00 0.00 55.69 54.70 3jvy s MET 36 Cb -0.88 0.56 -0.06 0.00 -1.53 0.00 0.00 34.83 32.92 3jvy s MET 36 CO 0.47 -0.60 0.67 0.45 -2.03 0.00 0.00 175.02 173.98 3jvy s SER 37 N -2.77 7.10 0.14 -1.18 0.15 -1.26 -5.02 113.70 110.86 3jvy s SER 37 Ca 0.05 1.31 0.07 0.00 0.70 0.00 0.00 55.95 58.08 3jvy s SER 37 Cb -0.02 -2.41 -0.04 0.00 -1.71 0.00 0.00 66.02 61.84 3jvy s SER 37 CO -0.07 0.09 -0.16 -0.76 1.20 0.00 0.00 173.24 173.55 3jvy s LEU 38 N -0.29 2.41 0.52 3.45 1.43 -1.26 -4.95 118.68 119.98 3jvy s LEU 38 Ca 0.34 -0.83 -0.18 0.00 -1.03 0.00 0.00 54.13 52.43 3jvy s LEU 38 Cb -0.19 -0.68 -0.07 0.00 0.03 0.00 0.00 46.19 45.27 3jvy s LEU 38 CO 0.20 -0.09 1.01 -2.16 0.23 0.00 0.00 176.35 175.54 3jvy s PRO 39 N -2.70 3.79 0.00 1.29 0.05 -1.26 -4.96 135.00 131.21 3jvy s PRO 39 Ca 0.12 1.14 0.00 0.00 0.05 0.00 0.00 61.00 62.30 3jvy s PRO 39 Cb -0.05 -2.11 0.00 0.00 0.05 0.00 0.00 34.50 32.39 3jvy s PRO 39 CO 0.05 -0.41 0.00 0.41 0.05 0.00 0.00 177.00 177.09 3jvy n GLY 40 N -0.97 -2.28 3.87 0.56 0.00 -1.26 -4.98 105.19 100.12 3jvy n GLY 40 Ca 0.08 -2.08 -0.31 0.00 0.00 0.00 0.00 46.02 43.72 3jvy n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3jvy s ARG 41 N -0.23 3.52 0.20 1.61 0.52 -1.26 -5.08 118.95 118.23 3jvy s ARG 41 Ca 0.00 0.69 -0.08 0.00 -0.52 0.00 0.00 55.73 55.82 3jvy s ARG 41 Cb 0.00 -2.09 -0.02 0.00 0.52 0.00 0.00 34.95 33.36 3jvy s ARG 41 CO 0.00 -0.59 0.30 1.67 0.02 0.00 0.00 175.30 176.69 3jvy s TRP 42 N -3.17 0.60 0.04 -0.53 1.48 -1.26 -4.45 118.94 111.65 3jvy s TRP 42 Ca 0.55 -0.93 -0.03 0.00 -1.06 0.00 0.00 56.10 54.63 3jvy s TRP 42 Cb -0.11 -0.13 -0.02 0.00 -1.16 0.00 0.00 33.47 32.05 3jvy s TRP 42 CO 0.53 -0.78 0.03 -1.59 -4.06 0.00 0.00 176.95 171.08 3jvy s LYS 43 N -4.04 0.56 0.51 3.25 -2.85 -0.83 -4.91 119.74 111.43 3jvy s LYS 43 Ca 0.25 -0.93 -0.19 0.00 -1.00 0.00 0.00 55.97 54.10 3jvy s LYS 43 Cb 0.03 0.21 -0.08 0.00 -2.06 0.00 0.00 37.83 35.93 3jvy s LYS 43 CO 0.06 -0.12 1.04 -1.25 0.10 0.00 0.00 175.35 175.17 3jvy s PRO 44 N -2.99 3.73 0.03 1.78 0.04 -1.26 -0.14 135.00 136.18 3jvy s PRO 44 Ca -0.02 1.30 -0.14 0.00 0.04 0.00 0.00 61.00 62.18 3jvy s PRO 44 Cb 0.01 -2.09 0.02 0.00 0.04 0.00 0.00 34.50 32.49 3jvy s PRO 44 CO -0.06 -0.49 0.31 0.21 0.04 0.00 0.00 177.00 177.01 3jvy s LYS 45 N -3.45 0.77 -0.09 4.56 2.20 -0.47 -4.83 119.74 118.43 3jvy s LYS 45 Ca 0.66 -0.40 0.01 0.00 -0.36 0.00 0.00 55.97 55.88 3jvy s LYS 45 Cb -0.16 0.34 -0.02 0.00 -1.51 0.00 0.00 37.83 36.48 3jvy s LYS 45 CO 0.24 -0.24 -0.12 -1.64 -0.36 0.00 0.00 175.35 173.23 3jvy s MET 46 N -2.18 2.97 0.06 4.03 -1.94 -1.26 -0.63 119.30 120.35 3jvy s MET 46 Ca -0.08 -0.66 0.05 0.00 -1.71 0.00 0.00 55.69 53.29 3jvy s MET 46 Cb -0.02 -2.54 -0.03 0.00 2.01 0.00 0.00 34.83 34.25 3jvy s MET 46 CO -0.01 0.44 -0.14 0.96 -0.01 0.00 0.00 175.02 176.26 3jvy s ILE 47 N -0.23 1.09 0.04 2.53 -4.36 -0.46 -4.96 121.20 114.86 3jvy s ILE 47 Ca 0.01 -1.17 0.01 0.00 -0.26 0.00 0.00 60.65 59.25 3jvy s ILE 47 Cb -0.13 -1.03 -0.03 0.00 1.25 0.00 0.00 42.46 42.53 3jvy s ILE 47 CO 0.03 -0.14 -0.06 -0.83 0.24 0.00 0.00 174.94 174.18 3jvy s GLY 48 N -1.49 0.47 0.00 6.27 0.00 -1.26 -0.36 107.32 110.95 3jvy s GLY 48 Ca -0.01 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 43.89 3jvy s GLY 48 CO 0.02 -0.89 0.00 0.61 0.00 0.00 0.00 173.10 172.84 3jvy n GLY 49 N 1.23 3.39 3.75 0.20 0.00 0.06 -4.97 105.19 108.86 3jvy n GLY 49 Ca -0.21 -0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.13 3jvy n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jvy s ILE 50 N -0.39 2.42 0.00 -0.61 1.01 -1.26 -1.26 121.20 121.11 3jvy s ILE 50 Ca 0.00 0.37 0.00 0.00 0.00 0.00 0.00 60.65 61.02 3jvy s ILE 50 Cb 0.00 -3.24 0.00 0.00 0.01 0.00 0.00 42.46 39.23 3jvy s ILE 50 CO 0.00 0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.62 3jvy n GLY 51 N 1.76 1.79 0.00 6.18 0.00 -1.26 -4.92 105.19 108.73 3jvy n GLY 51 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3jvy n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jvy n GLY 52 N -2.00 0.16 3.63 -0.02 0.00 -0.39 -5.06 105.19 101.52 3jvy n GLY 52 Ca 0.00 -2.21 -0.27 0.00 0.00 0.00 0.00 46.02 43.54 3jvy n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3jvy s PHE 53 N 0.00 2.80 0.12 1.61 0.40 -1.26 -0.76 117.98 120.89 3jvy s PHE 53 Ca 0.00 -0.15 0.08 0.00 -0.60 0.00 0.00 56.93 56.26 3jvy s PHE 53 Cb 0.00 -1.38 -0.04 0.00 0.51 0.00 0.00 43.02 42.11 3jvy s PHE 53 CO 0.00 0.50 -0.19 0.96 0.70 0.00 0.00 175.22 177.19 3jvy s ILE 54 N -1.61 1.69 -0.05 0.64 -4.36 0.51 -4.96 121.20 113.06 3jvy s ILE 54 Ca 0.26 -1.65 -0.18 0.00 -0.26 0.00 0.00 60.65 58.82 3jvy s ILE 54 Cb -0.10 -1.62 -0.05 0.00 1.25 0.00 0.00 42.46 41.95 3jvy s ILE 54 CO 0.17 -0.16 0.49 -0.75 0.24 0.00 0.00 174.94 174.93 3jvy s LYS 55 N -2.21 4.22 0.23 0.37 2.20 -1.26 -1.35 119.74 121.94 3jvy s LYS 55 Ca 0.09 0.53 0.05 0.00 -0.36 0.00 0.00 55.97 56.28 3jvy s LYS 55 Cb -0.08 -3.34 -0.05 0.00 -1.51 0.00 0.00 37.83 32.84 3jvy s LYS 55 CO 0.05 0.38 -0.04 0.14 -0.36 0.00 0.00 175.35 175.51 3jvy s VAL 56 N -0.13 1.30 -0.17 4.02 -7.23 0.20 -4.51 120.40 113.87 3jvy s VAL 56 Ca 0.27 -2.08 -0.13 0.00 -1.81 0.00 0.00 61.98 58.23 3jvy s VAL 56 Cb -0.17 -2.29 -0.05 0.00 0.56 0.00 0.00 36.38 34.44 3jvy s VAL 56 CO 0.13 -0.39 0.24 -0.13 -0.31 0.00 0.00 175.10 174.64 3jvy s ARG 57 N -3.79 4.22 -0.29 4.82 0.52 0.15 -1.37 118.95 123.21 3jvy s ARG 57 Ca 0.27 0.00 -0.13 0.00 -0.52 0.00 0.00 55.73 55.35 3jvy s ARG 57 Cb 0.04 -3.42 -0.04 0.00 0.52 0.00 0.00 34.95 32.05 3jvy s ARG 57 CO 0.08 0.27 0.27 -1.14 0.02 0.00 0.00 175.30 174.80 3jvy s GLN 58 N 0.39 3.91 -0.10 3.54 0.74 0.81 -0.73 119.66 128.21 3jvy s GLN 58 Ca 0.14 -0.24 -0.01 0.00 0.05 0.00 0.00 55.36 55.31 3jvy s GLN 58 Cb -0.12 -3.68 -0.03 0.00 1.10 0.00 0.00 33.01 30.28 3jvy s GLN 58 CO 0.02 -0.26 -0.07 0.71 -0.55 0.00 0.00 175.29 175.14 3jvy s TYR 59 N 1.88 2.95 0.28 1.67 1.51 -0.25 -1.96 117.35 123.43 3jvy s TYR 59 Ca 0.10 -0.17 0.06 0.00 -1.01 0.00 0.00 57.07 56.05 3jvy s TYR 59 Cb -0.16 -1.81 -0.03 0.00 -0.11 0.00 0.00 41.96 39.86 3jvy s TYR 59 CO 0.11 0.14 0.33 -0.51 -1.11 0.00 0.00 175.55 174.51 3jvy s ASP 60 N -0.28 5.87 -1.32 2.29 1.01 -1.26 -1.22 116.67 121.76 3jvy s ASP 60 Ca 0.04 -0.16 -0.03 0.00 0.71 0.00 0.00 52.55 53.10 3jvy s ASP 60 Cb -0.13 -1.46 0.01 0.00 1.01 0.00 0.00 42.92 42.36 3jvy s ASP 60 CO 0.02 -0.19 0.87 0.00 0.21 0.00 0.00 175.17 176.09 3jvy n GLN 61 N -1.40 -5.77 -3.95 8.23 6.02 -1.19 -4.91 117.38 114.42 3jvy n GLN 61 Ca -0.06 0.70 -0.36 0.00 -0.01 0.00 0.00 57.00 57.27 3jvy n GLN 61 Cb 0.58 -5.48 -0.07 0.00 1.02 0.00 0.00 30.24 26.29 3jvy n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3jvy s ILE 62 N -3.50 5.23 -0.11 5.09 -1.09 -0.09 -4.80 121.20 121.92 3jvy s ILE 62 Ca 0.17 0.11 -0.13 0.00 -2.23 0.00 0.00 60.65 58.56 3jvy s ILE 62 Cb -0.08 -3.29 -0.05 0.00 -1.58 0.00 0.00 42.46 37.46 3jvy s ILE 62 CO 0.79 0.57 0.31 -0.63 -1.23 0.00 0.00 174.94 174.75 3jvy s ILE 63 N -0.65 5.26 -0.01 2.92 1.01 -1.26 -1.33 121.20 127.14 3jvy s ILE 63 Ca 0.12 0.60 0.03 0.00 0.00 0.00 0.00 60.65 61.41 3jvy s ILE 63 Cb -0.12 -3.63 -0.01 0.00 0.01 0.00 0.00 42.46 38.71 3jvy s ILE 63 CO 0.02 0.46 -0.11 -0.63 0.00 0.00 0.00 174.94 174.68 3jvy s ILE 64 N -0.10 0.92 -0.29 2.92 1.01 0.82 -4.52 121.20 121.96 3jvy s ILE 64 Ca 0.19 -0.48 -0.14 0.00 0.00 0.00 0.00 60.65 60.22 3jvy s ILE 64 Cb -0.14 -0.78 -0.04 0.00 0.01 0.00 0.00 42.46 41.52 3jvy s ILE 64 CO 0.07 0.27 0.31 -1.61 0.00 0.00 0.00 174.94 173.97 3jvy s GLU 65 N -0.17 3.91 -0.25 2.79 2.02 -0.60 -0.59 118.70 125.81 3jvy s GLU 65 Ca 0.03 -0.16 -0.00 0.00 0.02 0.00 0.00 54.97 54.86 3jvy s GLU 65 Cb -0.06 -3.69 0.04 0.00 0.10 0.00 0.00 34.13 30.52 3jvy s GLU 65 CO -0.00 -0.29 -0.08 0.42 0.02 0.00 0.00 175.26 175.32 3jvy s ILE 66 N 1.96 2.61 -1.37 -1.63 1.01 0.13 -0.87 121.20 123.04 3jvy s ILE 66 Ca 0.12 -1.22 -0.12 0.00 0.00 0.00 0.00 60.65 59.44 3jvy s ILE 66 Cb -0.16 -2.37 0.09 0.00 0.01 0.00 0.00 42.46 40.03 3jvy s ILE 66 CO 0.11 0.15 0.58 0.00 0.00 0.00 0.00 174.94 175.77 3jvy n ALA 67 N 4.60 -1.11 -0.40 9.38 0.00 -0.76 0.42 120.51 132.64 3jvy n ALA 67 Ca -0.16 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.35 3jvy n ALA 67 Cb 0.46 -3.01 0.00 0.00 0.00 0.00 0.00 19.45 16.89 3jvy n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jvy n GLY 68 N -1.24 0.95 3.47 0.00 0.00 -1.26 -5.06 105.19 102.04 3jvy n GLY 68 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 3jvy n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3jvy s HIS 69 N -2.92 3.01 0.03 1.61 4.02 0.17 -5.07 115.29 116.14 3jvy s HIS 69 Ca 0.00 -0.40 -0.30 0.00 1.02 0.00 0.00 55.06 55.38 3jvy s HIS 69 Cb 0.00 -1.99 -0.04 0.00 -1.02 0.00 0.00 32.58 29.53 3jvy s HIS 69 CO 0.00 -0.13 1.03 0.15 1.02 0.00 0.00 174.74 176.82 3jvy s LYS 70 N 0.57 4.54 0.06 1.40 -0.14 -1.26 0.21 119.74 125.12 3jvy s LYS 70 Ca -0.03 1.51 0.02 0.00 -1.36 0.00 0.00 55.97 56.12 3jvy s LYS 70 Cb -0.14 -3.42 -0.03 0.00 -1.68 0.00 0.00 37.83 32.56 3jvy s LYS 70 CO 0.03 -0.07 -0.07 0.00 -0.76 0.00 0.00 175.35 174.47 3jvy s ALA 71 N 0.89 0.66 -0.02 5.17 0.00 0.24 -4.85 121.76 123.85 3jvy s ALA 71 Ca 0.53 -0.91 0.06 0.00 0.00 0.00 0.00 51.96 51.63 3jvy s ALA 71 Cb -0.23 0.08 -0.01 0.00 0.00 0.00 0.00 23.12 22.95 3jvy s ALA 71 CO 0.29 -0.08 -0.19 -1.50 0.00 0.00 0.00 175.76 174.28 3jvy s ILE 72 N -1.96 1.48 -1.40 0.00 2.07 -1.26 -0.13 121.20 120.00 3jvy s ILE 72 Ca -0.05 -0.80 0.00 0.00 -1.41 0.00 0.00 60.65 58.40 3jvy s ILE 72 Cb -0.06 -1.23 0.00 0.00 0.13 0.00 0.00 42.46 41.30 3jvy s ILE 72 CO -0.01 0.42 0.00 0.61 -1.91 0.00 0.00 174.94 174.05 3jvy n GLY 73 N 2.67 -1.00 3.75 1.50 0.00 -0.44 -4.91 105.19 106.76 3jvy n GLY 73 Ca -0.15 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.61 3jvy n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3jvy s THR 74 N -3.00 3.83 -0.09 2.61 2.01 -1.26 -0.91 115.64 118.82 3jvy s THR 74 Ca 0.00 1.69 0.02 0.00 0.31 0.00 0.00 61.69 63.71 3jvy s THR 74 Cb 0.00 -4.07 0.01 0.00 0.01 0.00 0.00 72.50 68.45 3jvy s THR 74 CO 0.00 0.34 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.43 3jvy s VAL 75 N -0.65 1.43 0.00 3.82 1.01 -0.36 -4.28 120.40 121.37 3jvy s VAL 75 Ca 0.46 -0.63 -0.11 0.00 0.00 0.00 0.00 61.98 61.70 3jvy s VAL 75 Cb -0.29 -1.30 -0.05 0.00 0.00 0.00 0.00 36.38 34.74 3jvy s VAL 75 CO 0.36 0.42 0.35 -0.76 0.00 0.00 0.00 175.10 175.47 3jvy s LEU 76 N 0.75 4.42 -0.09 3.92 1.43 0.25 -1.09 118.68 128.27 3jvy s LEU 76 Ca -0.12 0.80 0.02 0.00 -1.03 0.00 0.00 54.13 53.80 3jvy s LEU 76 Cb -0.16 -2.61 0.01 0.00 0.03 0.00 0.00 46.19 43.47 3jvy s LEU 76 CO 0.03 0.29 -0.14 -0.69 0.23 0.00 0.00 176.35 176.07 3jvy s VAL 77 N -1.18 1.34 -1.05 -1.59 1.01 0.09 -0.84 120.40 118.19 3jvy s VAL 77 Ca 0.25 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.66 3jvy s VAL 77 Cb -0.15 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 35.00 3jvy s VAL 77 CO 0.13 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.25 3jvy n GLY 78 N 4.03 -1.18 2.15 4.51 0.00 -0.70 -0.67 105.19 113.32 3jvy n GLY 78 Ca -0.20 -0.87 -0.21 0.00 0.00 0.00 0.00 46.02 44.74 3jvy n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3jvy n PRO 79 N 0.00 2.52 -2.69 1.61 -0.04 -1.26 -3.42 135.00 131.73 3jvy n PRO 79 Ca 0.00 -1.40 -0.37 0.00 -0.04 0.00 0.00 63.50 61.69 3jvy n PRO 79 Cb 0.00 -2.28 -0.06 0.00 -0.04 0.00 0.00 33.50 31.12 3jvy n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3jvy s THR 80 N 1.59 4.01 -0.30 0.52 -1.32 -1.26 -4.95 115.64 113.93 3jvy s THR 80 Ca 0.64 1.64 0.27 0.00 -1.21 0.00 0.00 61.69 63.04 3jvy s THR 80 Cb 0.25 -3.90 0.31 0.00 -1.51 0.00 0.00 72.50 67.65 3jvy s THR 80 CO -0.02 0.11 1.81 1.55 -2.21 0.00 0.00 174.62 175.85 3jvy h PRO 81 N 2.98 0.00 -3.20 7.08 0.13 -1.99 -3.44 132.00 133.57 3jvy h PRO 81 Ca -0.47 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.52 3jvy h PRO 81 Cb 1.20 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.12 3jvy h PRO 81 CO 0.64 0.00 -0.37 0.54 -0.23 0.00 0.00 178.00 178.58 3jvy s VAL 82 N -3.41 0.05 0.15 1.56 0.11 -1.26 -5.09 120.40 112.51 3jvy s VAL 82 Ca 0.04 -0.45 -0.30 0.00 -2.93 0.00 0.00 61.98 58.34 3jvy s VAL 82 Cb 0.09 -0.51 -0.08 0.00 -1.53 0.00 0.00 36.38 34.36 3jvy s VAL 82 CO 0.49 -0.25 1.24 0.20 -3.33 0.00 0.00 175.10 173.45 3jvy s ASN 83 N -1.05 7.02 -0.14 3.54 0.01 -1.26 -4.75 114.94 118.30 3jvy s ASN 83 Ca -0.11 2.22 0.00 0.00 -0.71 0.00 0.00 52.86 54.26 3jvy s ASN 83 Cb -0.05 -2.60 0.02 0.00 0.41 0.00 0.00 41.25 39.03 3jvy s ASN 83 CO 0.03 -0.46 -0.14 -0.63 -1.51 0.00 0.00 177.10 174.39 3jvy s ILE 84 N 0.41 1.56 -0.46 0.60 -1.09 0.21 -1.00 121.20 121.43 3jvy s ILE 84 Ca 0.56 -0.63 -0.21 0.00 -2.23 0.00 0.00 60.65 58.15 3jvy s ILE 84 Cb -0.33 -1.46 0.03 0.00 -1.58 0.00 0.00 42.46 39.12 3jvy s ILE 84 CO 0.34 0.46 0.66 -0.63 -1.23 0.00 0.00 174.94 174.54 3jvy s ILE 85 N 1.44 4.80 0.41 2.92 -1.09 0.15 -1.61 121.20 128.22 3jvy s ILE 85 Ca 0.04 0.02 0.06 0.00 -2.23 0.00 0.00 60.65 58.54 3jvy s ILE 85 Cb -0.13 -4.25 0.07 0.00 -1.58 0.00 0.00 42.46 36.57 3jvy s ILE 85 CO -0.10 -0.68 0.56 0.00 -1.23 0.00 0.00 174.94 173.50 3jvy n ALA 86 N 6.34 0.75 0.13 9.38 0.00 -1.26 -1.00 120.51 134.85 3jvy n ALA 86 Ca -0.02 -1.42 0.11 0.00 0.00 0.00 0.00 53.44 52.11 3jvy n ALA 86 Cb 0.47 0.37 0.61 0.00 0.00 0.00 0.00 19.45 20.90 3jvy n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3jvy h ARG 87 N 0.00 0.10 0.00 0.00 3.08 -1.30 -1.22 114.38 115.05 3jvy h ARG 87 Ca -0.19 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 59.85 3jvy h ARG 87 Cb 0.85 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.87 3jvy h ARG 87 CO 0.26 0.07 -0.02 -2.95 -1.07 0.00 0.00 179.97 176.26 3jvy h ASN 88 N 0.11 0.00 0.00 7.04 -1.07 -1.76 -1.53 115.58 118.37 3jvy h ASN 88 Ca 0.11 0.00 -0.20 0.00 0.07 0.00 0.00 56.30 56.28 3jvy h ASN 88 Cb 0.31 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 36.52 3jvy h ASN 88 CO -0.01 0.02 -2.08 0.18 0.07 0.00 0.00 177.43 175.60 3jvy n LEU 89 N -4.30 0.00 0.00 6.14 4.77 -0.78 -4.43 117.00 118.41 3jvy n LEU 89 Ca -0.03 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.96 3jvy n LEU 89 Cb 0.10 0.27 0.32 0.00 -2.33 0.00 0.00 43.42 41.78 3jvy n LEU 89 CO 0.32 0.27 0.97 -0.07 -1.33 0.00 0.00 177.39 177.55 3jvy h LEU 90 N 0.00 0.48 -1.42 2.23 3.38 -0.88 -2.06 115.31 117.04 3jvy h LEU 90 Ca -0.30 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 57.58 3jvy h LEU 90 Cb 1.63 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 42.24 3jvy h LEU 90 CO 0.02 0.52 0.19 0.71 0.09 0.00 0.00 178.44 179.97 3jvy h THR 91 N 0.50 1.15 0.00 0.22 1.35 -1.50 -1.79 112.91 112.84 3jvy h THR 91 Ca 0.11 -0.43 -0.07 0.00 -0.55 0.00 0.00 66.41 65.47 3jvy h THR 91 Cb 0.27 0.63 -0.01 0.00 -1.73 0.00 0.00 68.15 67.31 3jvy h THR 91 CO 0.00 0.17 -0.35 1.56 -0.25 0.00 0.00 175.52 176.65 3jvy h GLN 92 N 0.58 0.00 -0.64 4.72 1.08 -1.59 -2.01 115.11 117.25 3jvy h GLN 92 Ca 0.15 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.35 3jvy h GLN 92 Cb 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.51 3jvy h GLN 92 CO -0.02 0.35 0.00 0.44 -0.95 0.00 0.00 178.83 178.66 3jvy n ILE 93 N -3.60 0.85 -2.09 2.54 -5.35 -1.06 -4.95 119.36 105.70 3jvy n ILE 93 Ca -0.01 -0.89 -0.03 0.00 -0.27 0.00 0.00 62.75 61.56 3jvy n ILE 93 Cb 0.48 0.54 -0.00 0.00 -1.74 0.00 0.00 39.64 38.92 3jvy n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3jvy n GLY 94 N 1.58 0.30 3.75 3.28 0.00 -0.76 -5.00 105.19 108.34 3jvy n GLY 94 Ca 0.22 -0.77 -0.40 0.00 0.00 0.00 0.00 46.02 45.08 3jvy n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jvy s ALA 95 N -2.19 3.36 0.09 4.61 0.00 -0.70 -5.04 121.76 121.89 3jvy s ALA 95 Ca 0.01 0.38 0.04 0.00 0.00 0.00 0.00 51.96 52.38 3jvy s ALA 95 Cb -0.00 -3.06 -0.03 0.00 0.00 0.00 0.00 23.12 20.03 3jvy s ALA 95 CO 0.01 0.11 -0.10 0.95 0.00 0.00 0.00 175.76 176.73 3jvy s THR 96 N -0.38 0.91 -0.20 0.00 -4.23 -1.26 -4.72 115.64 105.75 3jvy s THR 96 Ca 0.40 -1.57 -0.13 0.00 -1.18 0.00 0.00 61.69 59.21 3jvy s THR 96 Cb -0.22 -1.27 -0.04 0.00 1.34 0.00 0.00 72.50 72.30 3jvy s THR 96 CO 0.26 -0.52 0.29 -0.76 -0.54 0.00 0.00 174.62 173.34 3jvy s LEU 97 N -2.32 4.17 -0.04 4.79 1.43 -1.26 -5.09 118.68 120.36 3jvy s LEU 97 Ca 0.03 0.38 0.03 0.00 -1.03 0.00 0.00 54.13 53.55 3jvy s LEU 97 Cb -0.04 -2.34 0.00 0.00 0.03 0.00 0.00 46.19 43.85 3jvy s LEU 97 CO 0.00 0.03 -0.13 0.20 0.23 0.00 0.00 176.35 176.68 3jvy s ASN 98 N 0.84 1.69 0.00 2.29 -0.87 -1.26 -5.30 114.94 112.33 3jvy s ASN 98 Ca 0.14 -0.27 0.00 0.00 -1.57 0.00 0.00 52.86 51.16 3jvy s ASN 98 Cb -0.14 -0.54 0.00 0.00 -0.02 0.00 0.00 41.25 40.55 3jvy s ASN 98 CO 0.05 0.09 0.00 2.22 -2.57 0.00 0.00 177.10 176.89