#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jw2 s GLN 2 N 0.00 3.26 -0.27 0.54 0.74 -1.26 -5.10 119.66 117.57 3jw2 s GLN 2 Ca 0.00 -0.69 -0.08 0.00 0.05 0.00 0.00 55.36 54.64 3jw2 s GLN 2 Cb 0.00 -2.83 -0.02 0.00 1.10 0.00 0.00 33.01 31.26 3jw2 s GLN 2 CO 0.00 -0.16 0.09 0.42 -0.55 0.00 0.00 175.29 175.09 3jw2 s ILE 3 N 1.31 4.37 0.64 -2.34 -1.09 -1.26 -5.09 121.20 117.73 3jw2 s ILE 3 Ca 0.04 -0.27 -0.11 0.00 -2.23 0.00 0.00 60.65 58.08 3jw2 s ILE 3 Cb -0.14 -3.11 -0.02 0.00 -1.58 0.00 0.00 42.46 37.60 3jw2 s ILE 3 CO -0.05 0.25 1.04 0.42 -1.23 0.00 0.00 174.94 175.36 3jw2 s THR 4 N 1.61 4.37 -0.27 2.92 -4.23 -1.26 -5.00 115.64 113.78 3jw2 s THR 4 Ca 0.06 0.74 0.12 0.00 -1.18 0.00 0.00 61.69 61.42 3jw2 s THR 4 Cb -0.16 -3.76 0.57 0.00 1.34 0.00 0.00 72.50 70.49 3jw2 s THR 4 CO 0.04 -0.99 1.54 0.18 -0.54 0.00 0.00 174.62 174.86 3jw2 n LEU 5 N -2.80 4.57 0.00 4.79 4.77 -1.26 -4.55 117.00 122.52 3jw2 n LEU 5 Ca 0.06 -3.40 0.01 0.00 -0.03 0.00 0.00 56.01 52.66 3jw2 n LEU 5 Cb 0.55 -0.64 0.35 0.00 -2.33 0.00 0.00 43.42 41.35 3jw2 n LEU 5 CO 0.58 0.95 1.02 -0.50 -1.33 0.00 0.00 177.39 178.11 3jw2 h TRP 6 N 1.56 0.53 -3.17 -1.77 4.06 -2.06 -3.44 115.95 111.66 3jw2 h TRP 6 Ca 0.18 -0.03 -0.43 0.00 2.06 0.00 0.00 58.89 60.68 3jw2 h TRP 6 Cb 1.79 -0.16 -0.14 0.00 -1.00 0.00 0.00 29.16 29.65 3jw2 h TRP 6 CO 0.92 0.45 -0.61 0.15 -3.56 0.00 0.00 178.44 175.79 3jw2 s LYS 7 N -5.16 1.56 0.22 0.49 1.02 -1.26 -5.11 119.74 111.50 3jw2 s LYS 7 Ca -0.08 -1.86 -0.32 0.00 0.02 0.00 0.00 55.97 53.74 3jw2 s LYS 7 Cb 0.16 -0.66 -0.12 0.00 -0.52 0.00 0.00 37.83 36.69 3jw2 s LYS 7 CO 0.75 -0.22 1.67 0.54 -0.92 0.00 0.00 175.35 177.17 3jw2 n ARG 8 N -0.60 2.66 -2.53 1.68 1.74 -1.26 -4.87 116.66 113.48 3jw2 n ARG 8 Ca -0.02 0.96 -0.41 0.00 -0.77 0.00 0.00 57.85 57.61 3jw2 n ARG 8 Cb 0.66 -2.77 -0.01 0.00 -1.02 0.00 0.00 32.46 29.32 3jw2 n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3jw2 s PRO 9 N 0.72 3.77 0.02 5.56 0.04 -1.26 -4.96 135.00 138.90 3jw2 s PRO 9 Ca 0.73 -1.71 -0.10 0.00 0.04 0.00 0.00 61.00 59.96 3jw2 s PRO 9 Cb -0.53 -5.47 -0.05 0.00 0.04 0.00 0.00 34.50 28.49 3jw2 s PRO 9 CO 0.37 -2.38 0.34 -0.51 0.04 0.00 0.00 177.00 174.86 3jw2 s LEU 10 N 4.97 4.39 0.06 -3.56 1.43 -1.26 -1.14 118.68 123.57 3jw2 s LEU 10 Ca 0.53 0.74 -0.02 0.00 -1.03 0.00 0.00 54.13 54.35 3jw2 s LEU 10 Cb 0.03 -2.73 -0.03 0.00 0.03 0.00 0.00 46.19 43.48 3jw2 s LEU 10 CO 0.04 0.25 0.01 0.68 0.23 0.00 0.00 176.35 177.56 3jw2 s VAL 11 N -1.27 0.20 -0.14 -1.59 -7.23 0.22 -4.96 120.40 105.64 3jw2 s VAL 11 Ca 0.28 -1.71 -0.12 0.00 -1.81 0.00 0.00 61.98 58.62 3jw2 s VAL 11 Cb -0.14 -1.52 -0.05 0.00 0.56 0.00 0.00 36.38 35.23 3jw2 s VAL 11 CO 0.15 -0.91 0.26 -0.89 -0.31 0.00 0.00 175.10 173.40 3jw2 s THR 12 N -3.92 5.32 0.21 5.32 2.01 -1.26 -0.42 115.64 122.90 3jw2 s THR 12 Ca 0.08 0.47 0.06 0.00 0.31 0.00 0.00 61.69 62.61 3jw2 s THR 12 Cb 0.07 -3.58 -0.05 0.00 0.01 0.00 0.00 72.50 68.96 3jw2 s THR 12 CO -0.09 0.46 -0.10 0.27 -0.69 0.00 0.00 174.62 174.47 3jw2 s ILE 13 N -0.03 1.49 -0.20 1.82 -4.36 0.32 -4.30 121.20 115.94 3jw2 s ILE 13 Ca 0.16 -2.14 -0.00 0.00 -0.26 0.00 0.00 60.65 58.41 3jw2 s ILE 13 Cb -0.13 -2.12 0.02 0.00 1.25 0.00 0.00 42.46 41.48 3jw2 s ILE 13 CO 0.04 -0.54 -0.15 -0.75 0.24 0.00 0.00 174.94 173.78 3jw2 s LYS 14 N -3.72 3.02 -0.09 0.37 2.47 -0.50 -1.12 119.74 120.17 3jw2 s LYS 14 Ca 0.23 -0.82 -0.06 0.00 -1.56 0.00 0.00 55.97 53.76 3jw2 s LYS 14 Cb 0.02 -2.70 0.04 0.00 -1.46 0.00 0.00 37.83 33.72 3jw2 s LYS 14 CO 0.07 -0.24 0.22 -1.50 0.16 0.00 0.00 175.35 174.06 3jw2 s ILE 15 N 1.32 -0.03 -1.93 5.43 2.07 -0.39 -1.58 121.20 126.11 3jw2 s ILE 15 Ca 0.04 0.09 0.00 0.00 -1.41 0.00 0.00 60.65 59.37 3jw2 s ILE 15 Cb -0.14 -0.33 0.00 0.00 0.13 0.00 0.00 42.46 42.12 3jw2 s ILE 15 CO -0.10 0.04 0.00 0.61 -1.91 0.00 0.00 174.94 173.58 3jw2 n GLY 16 N 3.72 0.42 2.12 1.50 0.00 -1.26 -1.48 105.19 110.21 3jw2 n GLY 16 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3jw2 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jw2 n GLY 17 N -0.78 0.77 3.27 -0.02 0.00 -1.26 -5.04 105.19 102.14 3jw2 n GLY 17 Ca -0.23 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.57 3jw2 n GLY 17 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3jw2 s GLN 18 N -0.17 1.10 0.03 1.61 -2.07 -0.55 -5.13 119.66 114.48 3jw2 s GLN 18 Ca 0.00 -1.21 -0.19 0.00 -1.82 0.00 0.00 55.36 52.14 3jw2 s GLN 18 Cb 0.00 -1.21 -0.06 0.00 -1.09 0.00 0.00 33.01 30.65 3jw2 s GLN 18 CO 0.00 0.26 0.54 -0.51 -1.32 0.00 0.00 175.29 174.26 3jw2 s LEU 19 N -2.18 4.48 0.01 2.60 1.43 -1.26 -1.26 118.68 122.50 3jw2 s LEU 19 Ca 0.08 1.16 -0.07 0.00 -1.03 0.00 0.00 54.13 54.28 3jw2 s LEU 19 Cb -0.08 -2.84 -0.00 0.00 0.03 0.00 0.00 46.19 43.30 3jw2 s LEU 19 CO 0.04 0.23 0.13 -0.54 0.23 0.00 0.00 176.35 176.44 3jw2 s LYS 20 N -0.80 0.49 -0.04 1.70 1.02 -0.27 -4.98 119.74 116.86 3jw2 s LYS 20 Ca 0.28 -0.46 -0.17 0.00 0.02 0.00 0.00 55.97 55.64 3jw2 s LYS 20 Cb -0.18 0.20 -0.05 0.00 -0.52 0.00 0.00 37.83 37.28 3jw2 s LYS 20 CO 0.17 -0.12 0.47 -2.00 -0.92 0.00 0.00 175.35 172.96 3jw2 s GLU 21 N -1.56 4.17 0.06 1.68 2.12 -1.26 -0.52 118.70 123.39 3jw2 s GLU 21 Ca -0.14 0.49 0.00 0.00 0.36 0.00 0.00 54.97 55.69 3jw2 s GLU 21 Cb -0.07 -3.33 -0.04 0.00 0.26 0.00 0.00 34.13 30.96 3jw2 s GLU 21 CO 0.01 0.43 -0.04 0.00 -0.54 0.00 0.00 175.26 175.11 3jw2 s ALA 22 N -0.28 0.61 -0.21 6.30 0.00 0.44 -4.49 121.76 124.12 3jw2 s ALA 22 Ca 0.26 -1.17 -0.10 0.00 0.00 0.00 0.00 51.96 50.95 3jw2 s ALA 22 Cb -0.16 0.21 -0.05 0.00 0.00 0.00 0.00 23.12 23.12 3jw2 s ALA 22 CO 0.13 -0.29 0.13 -1.17 0.00 0.00 0.00 175.76 174.56 3jw2 s LEU 23 N -2.74 4.11 -0.33 0.00 2.96 0.22 -0.61 118.68 122.29 3jw2 s LEU 23 Ca 0.05 0.15 -0.29 0.00 -0.22 0.00 0.00 54.13 53.83 3jw2 s LEU 23 Cb 0.05 -2.08 0.01 0.00 0.50 0.00 0.00 46.19 44.67 3jw2 s LEU 23 CO -0.07 0.13 1.26 -0.76 -1.32 0.00 0.00 176.35 175.59 3jw2 s LEU 24 N 0.66 3.84 -0.30 -0.68 1.43 -0.29 -0.44 118.68 122.91 3jw2 s LEU 24 Ca 0.07 1.08 0.02 0.00 -1.03 0.00 0.00 54.13 54.27 3jw2 s LEU 24 Cb -0.12 -3.54 0.09 0.00 0.03 0.00 0.00 46.19 42.64 3jw2 s LEU 24 CO 0.01 -1.09 0.03 -0.62 0.23 0.00 0.00 176.35 174.91 3jw2 s ASP 25 N 2.66 4.32 0.40 2.29 -1.08 0.42 -4.80 116.67 120.88 3jw2 s ASP 25 Ca 0.54 -1.74 0.29 0.00 -0.52 0.00 0.00 52.55 51.12 3jw2 s ASP 25 Cb -0.15 -1.30 1.15 0.00 -1.46 0.00 0.00 42.92 41.17 3jw2 s ASP 25 CO 0.23 -0.35 1.84 0.71 0.52 0.00 0.00 175.17 178.13 3jw2 h THR 26 N 6.60 0.00 -0.20 1.71 1.35 -1.94 -2.70 112.91 117.73 3jw2 h THR 26 Ca -0.11 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 3jw2 h THR 26 Cb 1.03 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 3jw2 h THR 26 CO 0.48 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.36 3jw2 n GLY 27 N 0.08 0.22 3.43 5.82 0.00 -1.26 -4.81 105.19 108.67 3jw2 n GLY 27 Ca 0.02 -0.36 -0.33 0.00 0.00 0.00 0.00 46.02 45.35 3jw2 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jw2 s ALA 28 N -1.74 2.74 0.06 4.61 0.00 -1.02 -5.02 121.76 121.40 3jw2 s ALA 28 Ca 0.27 -0.88 -0.16 0.00 0.00 0.00 0.00 51.96 51.20 3jw2 s ALA 28 Cb 0.14 -1.27 -0.20 0.00 0.00 0.00 0.00 23.12 21.80 3jw2 s ALA 28 CO 0.21 0.30 1.22 -0.44 0.00 0.00 0.00 175.76 177.05 3jw2 h ASP 29 N 6.44 0.77 -4.44 0.00 3.32 -1.88 -1.72 116.42 118.90 3jw2 h ASP 29 Ca -0.31 -0.68 -0.41 0.00 0.02 0.00 0.00 57.03 55.65 3jw2 h ASP 29 Cb 1.20 -0.23 -0.23 0.00 0.22 0.00 0.00 39.33 40.29 3jw2 h ASP 29 CO 0.56 1.33 -0.78 -1.81 -1.72 0.00 0.00 179.24 176.83 3jw2 s ASP 30 N -6.95 1.57 0.21 6.45 1.01 -1.26 -3.32 116.67 114.38 3jw2 s ASP 30 Ca -0.11 -0.55 -0.30 0.00 0.71 0.00 0.00 52.55 52.30 3jw2 s ASP 30 Cb 0.06 -0.06 -0.09 0.00 1.01 0.00 0.00 42.92 43.84 3jw2 s ASP 30 CO 0.87 -0.05 1.39 -0.89 0.21 0.00 0.00 175.17 176.70 3jw2 s THR 31 N -1.12 2.93 -0.08 -1.27 2.01 -1.26 -4.55 115.64 112.30 3jw2 s THR 31 Ca -0.02 0.76 0.01 0.00 0.31 0.00 0.00 61.69 62.76 3jw2 s THR 31 Cb -0.09 -3.48 0.02 0.00 0.01 0.00 0.00 72.50 68.95 3jw2 s THR 31 CO 0.02 0.11 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.25 3jw2 s VAL 32 N 0.23 1.14 0.10 3.82 1.01 -0.69 -0.60 120.40 125.41 3jw2 s VAL 32 Ca 0.60 -0.44 0.09 0.00 0.00 0.00 0.00 61.98 62.22 3jw2 s VAL 32 Cb -0.39 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 3jw2 s VAL 32 CO 0.39 0.37 -0.22 -0.63 0.00 0.00 0.00 175.10 175.00 3jw2 s ILE 33 N 0.97 1.84 0.96 2.22 -1.09 0.30 -0.54 121.20 125.87 3jw2 s ILE 33 Ca -0.09 -1.56 -0.11 0.00 -2.23 0.00 0.00 60.65 56.67 3jw2 s ILE 33 Cb -0.15 -1.65 0.17 0.00 -1.58 0.00 0.00 42.46 39.25 3jw2 s ILE 33 CO -0.00 0.01 1.13 -1.83 -1.23 0.00 0.00 174.94 173.01 3jw2 s GLU 34 N -1.86 0.65 0.02 2.79 -1.05 -1.26 -1.83 118.70 116.16 3jw2 s GLU 34 Ca 0.08 1.43 -0.38 0.00 -0.15 0.00 0.00 54.97 55.96 3jw2 s GLU 34 Cb -0.10 -1.69 -0.17 0.00 -0.44 0.00 0.00 34.13 31.73 3jw2 s GLU 34 CO 0.04 -2.84 1.40 0.39 0.95 0.00 0.00 175.26 175.20 3jw2 n GLU 35 N -4.37 1.08 -3.65 -4.83 -0.58 -1.21 -4.57 120.64 102.51 3jw2 n GLU 35 Ca 0.10 0.39 -0.05 0.00 -0.42 0.00 0.00 57.16 57.18 3jw2 n GLU 35 Cb 0.52 -2.03 -0.02 0.00 -0.57 0.00 0.00 31.44 29.34 3jw2 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3jw2 s MET 36 N 0.98 1.04 0.03 3.49 0.23 -1.26 -5.04 119.30 118.76 3jw2 s MET 36 Ca 0.87 -0.51 -0.09 0.00 -1.03 0.00 0.00 55.69 54.93 3jw2 s MET 36 Cb -0.99 0.40 -0.05 0.00 -1.53 0.00 0.00 34.83 32.65 3jw2 s MET 36 CO 0.51 -0.47 0.34 -1.12 -2.03 0.00 0.00 175.02 172.24 3jw2 s SER 37 N -2.76 6.60 0.03 -1.18 0.01 -1.26 -5.03 113.70 110.11 3jw2 s SER 37 Ca 0.09 0.72 0.01 0.00 1.31 0.00 0.00 55.95 58.08 3jw2 s SER 37 Cb -0.01 -2.15 -0.02 0.00 0.21 0.00 0.00 66.02 64.04 3jw2 s SER 37 CO -0.02 0.24 -0.04 -0.76 0.41 0.00 0.00 173.24 173.06 3jw2 s LEU 38 N -1.65 2.27 0.58 2.44 1.43 -1.26 -4.88 118.68 117.61 3jw2 s LEU 38 Ca 0.28 -0.56 -0.12 0.00 -1.03 0.00 0.00 54.13 52.70 3jw2 s LEU 38 Cb -0.14 0.03 -0.05 0.00 0.03 0.00 0.00 46.19 46.06 3jw2 s LEU 38 CO 0.16 -0.30 1.00 -2.16 0.23 0.00 0.00 176.35 175.27 3jw2 s PRO 39 N -1.74 3.69 0.19 1.29 0.04 -1.26 -4.97 135.00 132.24 3jw2 s PRO 39 Ca -0.12 0.77 0.00 0.00 0.04 0.00 0.00 61.00 61.69 3jw2 s PRO 39 Cb -0.08 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.34 3jw2 s PRO 39 CO -0.01 -0.46 0.00 0.41 0.04 0.00 0.00 177.00 176.98 3jw2 n GLY 40 N -2.37 -2.74 3.88 0.56 0.00 -1.26 -4.98 105.19 98.28 3jw2 n GLY 40 Ca 0.06 -1.85 -0.30 0.00 0.00 0.00 0.00 46.02 43.92 3jw2 n GLY 40 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3jw2 s ARG 41 N -0.52 3.16 0.14 1.61 1.04 -1.26 -5.09 118.95 118.03 3jw2 s ARG 41 Ca 0.00 0.54 -0.18 0.00 -1.04 0.00 0.00 55.73 55.05 3jw2 s ARG 41 Cb 0.00 -2.06 0.04 0.00 -2.04 0.00 0.00 34.95 30.89 3jw2 s ARG 41 CO 0.00 -0.82 0.47 1.67 -0.04 0.00 0.00 175.30 176.57 3jw2 s TRP 42 N -3.26 -0.30 0.03 5.89 1.48 -1.26 -4.47 118.94 117.06 3jw2 s TRP 42 Ca 0.56 0.01 0.02 0.00 -1.06 0.00 0.00 56.10 55.63 3jw2 s TRP 42 Cb -0.11 0.35 -0.02 0.00 -1.16 0.00 0.00 33.47 32.53 3jw2 s TRP 42 CO 0.52 -0.76 -0.07 -1.59 -4.06 0.00 0.00 176.95 171.00 3jw2 s LYS 43 N -3.79 0.47 0.62 3.25 -2.85 -0.92 -4.91 119.74 111.60 3jw2 s LYS 43 Ca 0.03 -0.64 -0.16 0.00 -1.00 0.00 0.00 55.97 54.20 3jw2 s LYS 43 Cb 0.01 -0.24 -0.02 0.00 -2.06 0.00 0.00 37.83 35.52 3jw2 s LYS 43 CO -0.12 0.04 1.11 -1.25 0.10 0.00 0.00 175.35 175.23 3jw2 s PRO 44 N -1.32 3.03 0.03 1.78 0.04 -1.26 -0.69 135.00 136.61 3jw2 s PRO 44 Ca -0.09 1.43 -0.25 0.00 0.04 0.00 0.00 61.00 62.13 3jw2 s PRO 44 Cb -0.09 -1.98 0.06 0.00 0.04 0.00 0.00 34.50 32.54 3jw2 s PRO 44 CO 0.00 -1.07 0.58 0.21 0.04 0.00 0.00 177.00 176.75 3jw2 s LYS 45 N -3.86 1.07 -0.14 4.56 2.20 -0.78 -4.85 119.74 117.94 3jw2 s LYS 45 Ca 0.68 -0.11 0.00 0.00 -0.36 0.00 0.00 55.97 56.18 3jw2 s LYS 45 Cb -0.21 0.49 -0.01 0.00 -1.51 0.00 0.00 37.83 36.60 3jw2 s LYS 45 CO 0.37 -0.38 -0.15 -1.64 -0.36 0.00 0.00 175.35 173.19 3jw2 s MET 46 N -2.20 3.26 0.01 4.03 -1.94 -1.26 -0.78 119.30 120.43 3jw2 s MET 46 Ca -0.06 -0.73 0.07 0.00 -1.71 0.00 0.00 55.69 53.25 3jw2 s MET 46 Cb -0.01 -2.61 -0.02 0.00 2.01 0.00 0.00 34.83 34.20 3jw2 s MET 46 CO 0.01 0.09 -0.22 0.96 -0.01 0.00 0.00 175.02 175.84 3jw2 s ILE 47 N 0.65 1.75 0.12 2.53 -4.36 -0.75 -4.95 121.20 116.18 3jw2 s ILE 47 Ca -0.08 -1.07 0.04 0.00 -0.26 0.00 0.00 60.65 59.28 3jw2 s ILE 47 Cb -0.16 -1.48 -0.04 0.00 1.25 0.00 0.00 42.46 42.03 3jw2 s ILE 47 CO 0.02 0.38 -0.10 -0.83 0.24 0.00 0.00 174.94 174.65 3jw2 s GLY 48 N -0.81 0.94 0.00 6.27 0.00 -1.26 -0.83 107.32 111.63 3jw2 s GLY 48 Ca 0.08 -1.33 0.00 0.00 0.00 0.00 0.00 44.72 43.48 3jw2 s GLY 48 CO 0.00 -1.42 0.00 0.61 0.00 0.00 0.00 173.10 172.30 3jw2 n GLY 49 N 0.21 3.13 3.70 0.20 0.00 -0.22 -4.97 105.19 107.24 3jw2 n GLY 49 Ca -0.13 -0.50 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 3jw2 n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jw2 s ILE 50 N -1.34 2.57 0.00 -0.61 1.01 -1.26 -1.43 121.20 120.13 3jw2 s ILE 50 Ca 0.00 0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.87 3jw2 s ILE 50 Cb 0.00 -3.14 0.00 0.00 0.01 0.00 0.00 42.46 39.33 3jw2 s ILE 50 CO 0.00 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.56 3jw2 n GLY 51 N 4.04 2.02 0.00 6.18 0.00 -1.26 -4.97 105.19 111.20 3jw2 n GLY 51 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3jw2 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jw2 n GLY 52 N -1.83 0.41 3.67 -0.02 0.00 -0.52 -5.08 105.19 101.82 3jw2 n GLY 52 Ca 0.00 -2.20 -0.24 0.00 0.00 0.00 0.00 46.02 43.59 3jw2 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3jw2 s PHE 53 N 0.00 2.77 0.06 1.61 0.40 -1.26 -1.05 117.98 120.51 3jw2 s PHE 53 Ca 0.00 -0.19 0.03 0.00 -0.60 0.00 0.00 56.93 56.16 3jw2 s PHE 53 Cb 0.00 -1.26 -0.03 0.00 0.51 0.00 0.00 43.02 42.25 3jw2 s PHE 53 CO 0.00 0.59 -0.09 0.96 0.70 0.00 0.00 175.22 177.38 3jw2 s ILE 54 N -2.18 0.67 -0.06 0.64 -4.36 -0.01 -4.97 121.20 110.94 3jw2 s ILE 54 Ca 0.31 -1.30 -0.18 0.00 -0.26 0.00 0.00 60.65 59.22 3jw2 s ILE 54 Cb -0.07 -0.90 -0.05 0.00 1.25 0.00 0.00 42.46 42.69 3jw2 s ILE 54 CO 0.20 -0.46 0.51 -0.75 0.24 0.00 0.00 174.94 174.68 3jw2 s LYS 55 N -2.07 4.27 0.28 0.37 2.20 -1.26 -1.80 119.74 121.72 3jw2 s LYS 55 Ca -0.04 0.54 0.02 0.00 -0.36 0.00 0.00 55.97 56.13 3jw2 s LYS 55 Cb -0.07 -3.37 -0.05 0.00 -1.51 0.00 0.00 37.83 32.83 3jw2 s LYS 55 CO -0.00 0.30 0.10 0.14 -0.36 0.00 0.00 175.35 175.53 3jw2 s VAL 56 N 0.11 0.63 -0.15 4.02 -7.23 0.04 -4.44 120.40 113.38 3jw2 s VAL 56 Ca 0.27 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.40 3jw2 s VAL 56 Cb -0.16 -2.64 -0.03 0.00 0.56 0.00 0.00 36.38 34.10 3jw2 s VAL 56 CO 0.13 0.00 -0.01 -0.13 -0.31 0.00 0.00 175.10 174.78 3jw2 s ARG 57 N -3.99 3.65 -0.29 4.82 0.52 0.29 -1.86 118.95 122.08 3jw2 s ARG 57 Ca 0.37 -0.47 -0.10 0.00 -0.52 0.00 0.00 55.73 55.01 3jw2 s ARG 57 Cb 0.08 -2.96 -0.03 0.00 0.52 0.00 0.00 34.95 32.56 3jw2 s ARG 57 CO 0.14 0.31 0.16 -1.14 0.02 0.00 0.00 175.30 174.80 3jw2 s GLN 58 N 0.20 3.69 -0.12 3.54 0.74 0.13 -0.63 119.66 127.22 3jw2 s GLN 58 Ca -0.01 -0.48 -0.00 0.00 0.05 0.00 0.00 55.36 54.92 3jw2 s GLN 58 Cb -0.13 -3.59 -0.02 0.00 1.10 0.00 0.00 33.01 30.37 3jw2 s GLN 58 CO 0.02 -0.27 -0.11 0.71 -0.55 0.00 0.00 175.29 175.09 3jw2 s TYR 59 N 1.69 2.85 0.33 1.67 1.51 -0.32 -2.17 117.35 122.90 3jw2 s TYR 59 Ca 0.06 -0.43 0.07 0.00 -1.01 0.00 0.00 57.07 55.76 3jw2 s TYR 59 Cb -0.16 -1.82 -0.03 0.00 -0.11 0.00 0.00 41.96 39.84 3jw2 s TYR 59 CO 0.08 -0.06 0.31 -0.51 -1.11 0.00 0.00 175.55 174.27 3jw2 s ASP 60 N 0.07 5.43 -1.28 2.29 1.01 -1.26 -0.72 116.67 122.21 3jw2 s ASP 60 Ca -0.04 -0.42 -0.05 0.00 0.71 0.00 0.00 52.55 52.75 3jw2 s ASP 60 Cb -0.14 -1.07 -0.01 0.00 1.01 0.00 0.00 42.92 42.71 3jw2 s ASP 60 CO 0.04 -0.33 0.65 0.00 0.21 0.00 0.00 175.17 175.74 3jw2 n GLN 61 N -1.40 -3.41 -4.19 8.23 6.02 -1.14 -4.92 117.38 116.57 3jw2 n GLN 61 Ca -0.02 0.53 -0.35 0.00 -0.01 0.00 0.00 57.00 57.15 3jw2 n GLN 61 Cb 0.59 -4.76 -0.09 0.00 1.02 0.00 0.00 30.24 27.00 3jw2 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3jw2 s ILE 62 N -3.69 4.57 -0.05 5.09 -1.09 -0.04 -4.85 121.20 121.14 3jw2 s ILE 62 Ca 0.14 -0.13 -0.22 0.00 -2.23 0.00 0.00 60.65 58.20 3jw2 s ILE 62 Cb -0.04 -2.99 -0.04 0.00 -1.58 0.00 0.00 42.46 37.80 3jw2 s ILE 62 CO 0.84 0.55 0.65 -0.63 -1.23 0.00 0.00 174.94 175.12 3jw2 s ILE 63 N -0.33 5.01 -0.06 2.92 1.01 -1.26 -1.42 121.20 127.07 3jw2 s ILE 63 Ca 0.08 1.35 0.02 0.00 0.00 0.00 0.00 60.65 62.10 3jw2 s ILE 63 Cb -0.12 -3.99 0.02 0.00 0.01 0.00 0.00 42.46 38.37 3jw2 s ILE 63 CO 0.02 0.31 -0.09 -0.63 0.00 0.00 0.00 174.94 174.54 3jw2 s ILE 64 N 0.47 0.94 -0.24 2.92 1.01 0.62 -4.53 121.20 122.39 3jw2 s ILE 64 Ca 0.35 -0.35 -0.14 0.00 0.00 0.00 0.00 60.65 60.50 3jw2 s ILE 64 Cb -0.18 -0.89 -0.04 0.00 0.01 0.00 0.00 42.46 41.37 3jw2 s ILE 64 CO 0.17 0.31 0.34 -0.70 0.00 0.00 0.00 174.94 175.07 3jw2 s GLU 65 N 0.80 4.09 -0.05 2.79 -6.30 -0.61 -1.16 118.70 118.26 3jw2 s GLU 65 Ca -0.12 0.05 -0.02 0.00 -2.50 0.00 0.00 54.97 52.37 3jw2 s GLU 65 Cb -0.15 -3.58 0.03 0.00 0.00 0.00 0.00 34.13 30.43 3jw2 s GLU 65 CO 0.02 -0.11 0.06 -1.50 0.02 0.00 0.00 175.26 173.74 3jw2 s ILE 66 N 1.56 -0.06 -1.45 -3.70 2.07 0.75 -1.42 121.20 118.95 3jw2 s ILE 66 Ca 0.15 0.35 -0.11 0.00 -1.41 0.00 0.00 60.65 59.64 3jw2 s ILE 66 Cb -0.15 -0.22 0.05 0.00 0.13 0.00 0.00 42.46 42.27 3jw2 s ILE 66 CO 0.08 0.15 1.01 0.00 -1.91 0.00 0.00 174.94 174.28 3jw2 n ALA 67 N 5.28 -1.39 0.00 1.50 0.00 -1.26 -1.18 120.51 123.45 3jw2 n ALA 67 Ca -0.04 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.61 3jw2 n ALA 67 Cb 0.50 -4.44 0.00 0.00 0.00 0.00 0.00 19.45 15.51 3jw2 n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jw2 n GLY 68 N -1.75 2.97 3.78 0.00 0.00 -1.26 -4.99 105.19 103.93 3jw2 n GLY 68 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 3jw2 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3jw2 s HIS 69 N -1.13 3.89 -0.29 1.61 3.76 -0.33 -5.04 115.29 117.76 3jw2 s HIS 69 Ca 0.00 1.57 -0.09 0.00 -0.15 0.00 0.00 55.06 56.39 3jw2 s HIS 69 Cb 0.00 -2.72 -0.02 0.00 1.11 0.00 0.00 32.58 30.95 3jw2 s HIS 69 CO 0.00 0.53 0.14 -1.59 -0.85 0.00 0.00 174.74 172.96 3jw2 s LYS 70 N -1.15 3.53 0.17 1.40 0.00 -1.26 -0.18 119.74 122.25 3jw2 s LYS 70 Ca 0.35 -0.58 0.10 0.00 0.00 0.00 0.00 55.97 55.83 3jw2 s LYS 70 Cb -0.22 -3.52 -0.04 0.00 0.00 0.00 0.00 37.83 34.05 3jw2 s LYS 70 CO 0.25 -0.31 -0.21 0.00 0.00 0.00 0.00 175.35 175.07 3jw2 s ALA 71 N 1.64 2.22 -0.02 0.59 0.00 -0.31 -4.97 121.76 120.90 3jw2 s ALA 71 Ca 0.06 -1.53 0.07 0.00 0.00 0.00 0.00 51.96 50.56 3jw2 s ALA 71 Cb -0.16 -0.26 -0.02 0.00 0.00 0.00 0.00 23.12 22.68 3jw2 s ALA 71 CO 0.06 0.34 -0.24 -1.50 0.00 0.00 0.00 175.76 174.43 3jw2 s ILE 72 N -1.76 1.88 0.00 0.00 2.07 -1.26 -0.28 121.20 121.86 3jw2 s ILE 72 Ca 0.17 -1.01 0.00 0.00 -1.41 0.00 0.00 60.65 58.40 3jw2 s ILE 72 Cb -0.07 -1.57 0.00 0.00 0.13 0.00 0.00 42.46 40.95 3jw2 s ILE 72 CO 0.08 0.53 0.00 0.61 -1.91 0.00 0.00 174.94 174.25 3jw2 n GLY 73 N 2.56 1.13 3.82 1.50 0.00 -0.51 -4.90 105.19 108.80 3jw2 n GLY 73 Ca -0.16 -0.89 -0.38 0.00 0.00 0.00 0.00 46.02 44.59 3jw2 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3jw2 s THR 74 N -2.46 4.75 -0.06 2.61 2.01 -1.26 -0.86 115.64 120.37 3jw2 s THR 74 Ca 0.00 1.15 0.02 0.00 0.31 0.00 0.00 61.69 63.17 3jw2 s THR 74 Cb 0.00 -3.87 0.01 0.00 0.01 0.00 0.00 72.50 68.66 3jw2 s THR 74 CO 0.00 0.49 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.63 3jw2 s VAL 75 N -1.19 0.97 -0.18 3.82 1.01 0.10 -4.25 120.40 120.69 3jw2 s VAL 75 Ca 0.31 -0.39 -0.08 0.00 0.00 0.00 0.00 61.98 61.82 3jw2 s VAL 75 Cb -0.19 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 3jw2 s VAL 75 CO 0.19 0.32 0.09 -0.76 0.00 0.00 0.00 175.10 174.94 3jw2 s LEU 76 N 0.67 4.01 -0.15 3.92 1.43 0.23 -1.18 118.68 127.61 3jw2 s LEU 76 Ca -0.13 0.18 -0.00 0.00 -1.03 0.00 0.00 54.13 53.15 3jw2 s LEU 76 Cb -0.15 -2.02 -0.01 0.00 0.03 0.00 0.00 46.19 44.05 3jw2 s LEU 76 CO 0.03 0.21 -0.14 -0.69 0.23 0.00 0.00 176.35 175.99 3jw2 s VAL 77 N 0.16 2.86 0.00 -1.59 1.01 0.19 -0.54 120.40 122.49 3jw2 s VAL 77 Ca 0.07 -0.71 -0.07 0.00 0.00 0.00 0.00 61.98 61.26 3jw2 s VAL 77 Cb -0.12 -2.21 0.02 0.00 0.00 0.00 0.00 36.38 34.08 3jw2 s VAL 77 CO -0.00 0.51 0.34 0.61 0.00 0.00 0.00 175.10 176.56 3jw2 n GLY 78 N 3.92 0.60 2.54 4.51 0.00 -0.76 -0.55 105.19 115.45 3jw2 n GLY 78 Ca -0.19 -0.90 -0.28 0.00 0.00 0.00 0.00 46.02 44.65 3jw2 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3jw2 n PRO 79 N -0.24 2.57 -3.18 1.61 -0.04 -1.26 -3.35 135.00 131.11 3jw2 n PRO 79 Ca 0.01 -1.71 -0.36 0.00 -0.04 0.00 0.00 63.50 61.39 3jw2 n PRO 79 Cb 0.16 -2.58 -0.06 0.00 -0.04 0.00 0.00 33.50 30.98 3jw2 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3jw2 s THR 80 N 3.08 4.65 0.10 0.52 -1.32 -1.26 -4.97 115.64 116.43 3jw2 s THR 80 Ca 0.49 1.20 0.25 0.00 -1.21 0.00 0.00 61.69 62.42 3jw2 s THR 80 Cb 0.13 -3.86 0.26 0.00 -1.51 0.00 0.00 72.50 67.52 3jw2 s THR 80 CO -0.04 0.29 1.83 1.55 -2.21 0.00 0.00 174.62 176.04 3jw2 h PRO 81 N 3.67 0.00 -3.69 7.08 0.13 -1.99 -3.44 132.00 133.77 3jw2 h PRO 81 Ca -0.48 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.47 3jw2 h PRO 81 Cb 1.20 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.10 3jw2 h PRO 81 CO 0.65 0.19 -0.61 0.08 -0.23 0.00 0.00 178.00 178.07 3jw2 s VAL 82 N -3.62 0.06 -0.00 1.56 1.01 -1.26 -5.11 120.40 113.04 3jw2 s VAL 82 Ca 0.01 -0.52 -0.30 0.00 0.00 0.00 0.00 61.98 61.17 3jw2 s VAL 82 Cb 0.10 -0.26 -0.03 0.00 0.00 0.00 0.00 36.38 36.19 3jw2 s VAL 82 CO 0.63 -0.28 1.03 0.20 0.00 0.00 0.00 175.10 176.67 3jw2 s ASN 83 N -0.90 7.29 -0.12 3.32 0.01 -1.26 -4.81 114.94 118.48 3jw2 s ASN 83 Ca -0.10 1.72 0.02 0.00 -0.71 0.00 0.00 52.86 53.79 3jw2 s ASN 83 Cb -0.06 -2.57 0.01 0.00 0.41 0.00 0.00 41.25 39.04 3jw2 s ASN 83 CO 0.00 -0.33 -0.20 -0.63 -1.51 0.00 0.00 177.10 174.44 3jw2 s ILE 84 N 1.16 1.83 -0.36 0.60 1.01 0.30 -0.61 121.20 125.14 3jw2 s ILE 84 Ca 0.53 -0.85 -0.16 0.00 0.00 0.00 0.00 60.65 60.17 3jw2 s ILE 84 Cb -0.22 -1.63 -0.01 0.00 0.01 0.00 0.00 42.46 40.61 3jw2 s ILE 84 CO 0.27 0.51 0.38 -0.63 0.00 0.00 0.00 174.94 175.47 3jw2 s ILE 85 N 0.81 5.15 0.29 2.92 -1.09 0.42 -1.70 121.20 128.00 3jw2 s ILE 85 Ca -0.09 -0.01 0.01 0.00 -2.23 0.00 0.00 60.65 58.34 3jw2 s ILE 85 Cb -0.16 -3.86 0.05 0.00 -1.58 0.00 0.00 42.46 36.91 3jw2 s ILE 85 CO -0.00 -0.15 0.39 -1.54 -1.23 0.00 0.00 174.94 172.41 3jw2 n SER 86 N 5.43 0.67 0.12 3.58 3.41 -1.26 -0.44 113.62 125.13 3jw2 n SER 86 Ca -0.09 -1.53 0.04 0.00 -0.26 0.00 0.00 58.87 57.03 3jw2 n SER 86 Cb 0.49 -0.24 0.47 0.00 -0.26 0.00 0.00 64.21 64.67 3jw2 n SER 86 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3jw2 h ARG 87 N 0.00 0.26 -0.86 4.33 3.08 -1.43 -0.46 114.38 119.30 3jw2 h ARG 87 Ca -0.13 -0.03 0.17 0.00 0.07 0.00 0.00 59.98 60.05 3jw2 h ARG 87 Cb 0.52 -0.05 -0.07 0.00 0.08 0.00 0.00 29.97 30.45 3jw2 h ARG 87 CO 0.15 0.27 0.57 -0.97 -1.07 0.00 0.00 179.97 178.91 3jw2 h ASN 88 N 0.26 0.51 0.03 7.04 -1.24 -1.80 -1.56 115.58 118.83 3jw2 h ASN 88 Ca 0.06 0.04 -0.38 0.00 0.71 0.00 0.00 56.30 56.74 3jw2 h ASN 88 Cb 0.14 -0.06 -0.07 0.00 0.73 0.00 0.00 38.32 39.07 3jw2 h ASN 88 CO -0.00 0.24 -2.38 -0.11 -1.29 0.00 0.00 177.43 173.89 3jw2 n LEU 89 N -4.53 1.74 0.03 0.34 7.94 -0.88 -4.42 117.00 117.22 3jw2 n LEU 89 Ca 0.18 -0.04 0.10 0.00 -1.11 0.00 0.00 56.01 55.13 3jw2 n LEU 89 Cb 0.57 -0.34 0.53 0.00 0.53 0.00 0.00 43.42 44.71 3jw2 n LEU 89 CO 0.30 0.74 1.15 -0.07 -1.11 0.00 0.00 177.39 178.41 3jw2 h LEU 90 N 0.00 0.27 -0.95 -1.96 3.38 -0.76 -1.44 115.31 113.86 3jw2 h LEU 90 Ca -0.54 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.33 3jw2 h LEU 90 Cb 2.05 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.72 3jw2 h LEU 90 CO -0.03 0.18 -0.20 0.71 0.09 0.00 0.00 178.44 179.19 3jw2 h THR 91 N 0.31 1.26 0.00 0.22 1.35 -1.50 -1.65 112.91 112.89 3jw2 h THR 91 Ca 0.17 -1.20 -0.04 0.00 -0.55 0.00 0.00 66.41 64.80 3jw2 h THR 91 Cb 0.30 1.26 -0.01 0.00 -1.73 0.00 0.00 68.15 67.97 3jw2 h THR 91 CO -0.04 0.39 -0.18 1.56 -0.25 0.00 0.00 175.52 177.00 3jw2 h GLN 92 N 0.48 0.00 -0.56 4.72 1.08 -1.48 -2.01 115.11 117.34 3jw2 h GLN 92 Ca 0.08 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 3jw2 h GLN 92 Cb 0.62 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.05 3jw2 h GLN 92 CO 0.04 0.18 0.00 0.44 -0.95 0.00 0.00 178.83 178.54 3jw2 n ILE 93 N -3.58 0.76 -1.83 2.54 -5.35 -1.11 -4.96 119.36 105.83 3jw2 n ILE 93 Ca -0.01 -0.88 -0.08 0.00 -0.27 0.00 0.00 62.75 61.51 3jw2 n ILE 93 Cb 0.32 0.74 -0.01 0.00 -1.74 0.00 0.00 39.64 38.95 3jw2 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3jw2 n GLY 94 N 1.57 0.37 3.75 3.28 0.00 -0.76 -5.00 105.19 108.42 3jw2 n GLY 94 Ca 0.22 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 3jw2 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jw2 s ALA 95 N -2.37 3.48 0.04 4.61 0.00 -0.64 -5.03 121.76 121.85 3jw2 s ALA 95 Ca 0.00 1.09 0.01 0.00 0.00 0.00 0.00 51.96 53.06 3jw2 s ALA 95 Cb 0.00 -3.44 -0.03 0.00 0.00 0.00 0.00 23.12 19.66 3jw2 s ALA 95 CO 0.00 -0.46 -0.05 0.95 0.00 0.00 0.00 175.76 176.20 3jw2 s THR 96 N -0.63 0.37 -0.15 0.00 -4.23 -1.26 -4.75 115.64 104.99 3jw2 s THR 96 Ca 0.51 -1.26 -0.12 0.00 -1.18 0.00 0.00 61.69 59.64 3jw2 s THR 96 Cb -0.36 -0.79 -0.05 0.00 1.34 0.00 0.00 72.50 72.65 3jw2 s THR 96 CO 0.44 -0.59 0.25 -0.76 -0.54 0.00 0.00 174.62 173.41 3jw2 s LEU 97 N -1.96 4.28 -0.01 4.79 1.43 -1.26 -5.09 118.68 120.86 3jw2 s LEU 97 Ca -0.06 0.48 0.03 0.00 -1.03 0.00 0.00 54.13 53.54 3jw2 s LEU 97 Cb -0.05 -2.29 -0.00 0.00 0.03 0.00 0.00 46.19 43.88 3jw2 s LEU 97 CO -0.02 0.18 -0.09 0.20 0.23 0.00 0.00 176.35 176.85 3jw2 s ASN 98 N 0.11 1.06 0.00 2.29 -0.87 -1.26 -5.30 114.94 110.98 3jw2 s ASN 98 Ca 0.15 -0.16 0.00 0.00 -1.57 0.00 0.00 52.86 51.28 3jw2 s ASN 98 Cb -0.13 -0.18 0.00 0.00 -0.02 0.00 0.00 41.25 40.92 3jw2 s ASN 98 CO 0.03 0.09 0.00 2.22 -2.57 0.00 0.00 177.10 176.87