#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jwo s VAL 2 N 0.00 3.76 0.05 3.84 0.11 -1.26 -4.18 120.40 122.72 3jwo s VAL 2 Ca 0.00 1.61 -0.27 0.00 -2.93 0.00 0.00 61.98 60.39 3jwo s VAL 2 Cb 0.00 -3.96 0.08 0.00 -1.53 0.00 0.00 36.38 30.97 3jwo s VAL 2 CO 0.00 0.26 0.70 -1.58 -3.33 0.00 0.00 175.10 171.15 3jwo s GLN 3 N -1.77 1.09 -0.29 1.54 0.74 -0.45 -4.98 119.66 115.54 3jwo s GLN 3 Ca 0.48 -0.18 -0.01 0.00 0.05 0.00 0.00 55.36 55.70 3jwo s GLN 3 Cb -0.26 0.51 0.09 0.00 1.10 0.00 0.00 33.01 34.45 3jwo s GLN 3 CO 0.33 -0.43 0.09 -0.51 -0.55 0.00 0.00 175.29 174.22 3jwo s LEU 4 N -2.12 1.95 -0.49 3.68 1.43 -1.26 -2.13 118.68 119.74 3jwo s LEU 4 Ca -0.02 -1.47 -0.15 0.00 -1.03 0.00 0.00 54.13 51.46 3jwo s LEU 4 Cb -0.01 -0.79 0.09 0.00 0.03 0.00 0.00 46.19 45.52 3jwo s LEU 4 CO -0.04 -0.39 0.41 -0.69 0.23 0.00 0.00 176.35 175.86 3jwo s VAL 5 N 1.69 5.08 0.35 -1.59 1.01 -0.19 -3.90 120.40 122.86 3jwo s VAL 5 Ca 0.08 -1.27 -0.06 0.00 0.00 0.00 0.00 61.98 60.73 3jwo s VAL 5 Cb -0.17 -4.13 0.08 0.00 0.00 0.00 0.00 36.38 32.17 3jwo s VAL 5 CO -0.23 -0.67 0.40 0.00 0.00 0.00 0.00 175.10 174.60 3jwo n GLN 6 N 5.18 -0.95 -1.79 2.72 6.02 -1.26 -1.86 117.38 125.44 3jwo n GLN 6 Ca -0.12 -0.63 -0.09 0.00 -0.01 0.00 0.00 57.00 56.15 3jwo n GLN 6 Cb 0.42 -0.48 0.03 0.00 1.02 0.00 0.00 30.24 31.24 3jwo n GLN 6 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3jwo n SER 7 N -3.41 0.86 -4.93 1.08 3.41 -1.22 -4.84 113.62 104.56 3jwo n SER 7 Ca 0.05 -1.64 -0.25 0.00 -0.26 0.00 0.00 58.87 56.77 3jwo n SER 7 Cb 0.19 -0.20 0.02 0.00 -0.26 0.00 0.00 64.21 63.95 3jwo n SER 7 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3jwo s GLY 8 N -3.23 1.57 0.65 5.00 0.00 -1.26 -4.63 107.32 105.43 3jwo s GLY 8 Ca 0.27 -0.82 -0.17 0.00 0.00 0.00 0.00 44.72 44.00 3jwo s GLY 8 CO 0.17 -0.60 0.66 0.00 0.00 0.00 0.00 173.10 173.33 3jwo n ALA 9 N -2.33 -0.94 -3.04 3.20 0.00 -1.26 -4.78 120.51 111.36 3jwo n ALA 9 Ca 0.03 -0.12 -0.12 0.00 0.00 0.00 0.00 53.44 53.22 3jwo n ALA 9 Cb 0.57 -1.92 -0.12 0.00 0.00 0.00 0.00 19.45 17.98 3jwo n ALA 9 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3jwo s GLU 10 N -2.62 0.20 -0.14 0.00 2.02 -0.68 -4.98 118.70 112.50 3jwo s GLU 10 Ca 0.70 0.21 -0.03 0.00 0.02 0.00 0.00 54.97 55.87 3jwo s GLU 10 Cb -0.39 0.10 -0.03 0.00 0.10 0.00 0.00 34.13 33.91 3jwo s GLU 10 CO 0.54 -0.02 -0.02 0.08 0.02 0.00 0.00 175.26 175.85 3jwo s VAL 11 N 0.05 4.06 0.05 2.63 1.01 -1.26 -2.15 120.40 124.80 3jwo s VAL 11 Ca -0.00 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 61.68 3jwo s VAL 11 Cb -0.01 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 3jwo s VAL 11 CO 0.00 0.52 -0.05 -0.54 0.00 0.00 0.00 175.10 175.03 3jwo s LYS 12 N -0.02 0.53 0.25 2.72 -0.14 -0.68 -5.00 119.74 117.40 3jwo s LYS 12 Ca 0.02 -0.88 -0.04 0.00 -1.36 0.00 0.00 55.97 53.71 3jwo s LYS 12 Cb -0.13 -0.08 -0.05 0.00 -1.68 0.00 0.00 37.83 35.89 3jwo s LYS 12 CO 0.02 -0.01 0.49 0.15 -0.76 0.00 0.00 175.35 175.24 3jwo s LYS 13 N -2.27 3.60 0.15 1.68 1.02 -1.26 -2.18 119.74 120.48 3jwo s LYS 13 Ca -0.06 -0.10 -0.34 0.00 0.02 0.00 0.00 55.97 55.50 3jwo s LYS 13 Cb -0.05 -2.72 -0.14 0.00 -0.52 0.00 0.00 37.83 34.40 3jwo s LYS 13 CO -0.02 0.30 1.60 -2.30 -0.92 0.00 0.00 175.35 174.00 3jwo n PRO 14 N -0.73 2.18 0.00 -1.68 -0.02 -1.25 -1.67 135.00 131.84 3jwo n PRO 14 Ca -0.03 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 3jwo n PRO 14 Cb 0.54 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 3jwo n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3jwo n GLY 15 N 3.49 2.16 0.68 -1.23 0.00 -0.04 -4.94 105.19 105.30 3jwo n GLY 15 Ca 0.17 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.13 3jwo n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jwo n ALA 16 N -1.58 -0.67 -3.48 4.61 0.00 -0.67 -4.25 120.51 114.47 3jwo n ALA 16 Ca 0.00 -0.31 -0.16 0.00 0.00 0.00 0.00 53.44 52.96 3jwo n ALA 16 Cb 0.00 -0.02 -0.12 0.00 0.00 0.00 0.00 19.45 19.31 3jwo n ALA 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3jwo s THR 17 N -1.38 -0.37 0.19 0.00 2.01 -1.26 -2.34 115.64 112.49 3jwo s THR 17 Ca 0.14 -0.08 -0.06 0.00 0.31 0.00 0.00 61.69 61.99 3jwo s THR 17 Cb -0.01 -0.68 -0.06 0.00 0.01 0.00 0.00 72.50 71.75 3jwo s THR 17 CO 0.11 -0.17 0.46 0.54 -0.69 0.00 0.00 174.62 174.86 3jwo s VAL 18 N 2.37 5.07 -0.28 3.82 0.11 -1.22 -4.91 120.40 125.36 3jwo s VAL 18 Ca 0.07 0.16 -0.02 0.00 -2.93 0.00 0.00 61.98 59.27 3jwo s VAL 18 Cb -0.15 -3.64 0.12 0.00 -1.53 0.00 0.00 36.38 31.18 3jwo s VAL 18 CO -0.12 -0.05 0.25 -0.75 -3.33 0.00 0.00 175.10 171.09 3jwo s LYS 19 N -2.86 0.28 0.32 1.54 2.20 -1.26 -2.11 119.74 117.85 3jwo s LYS 19 Ca 0.43 -0.21 0.04 0.00 -0.36 0.00 0.00 55.97 55.87 3jwo s LYS 19 Cb -0.12 -0.84 -0.02 0.00 -1.51 0.00 0.00 37.83 35.35 3jwo s LYS 19 CO 0.24 -1.00 0.47 0.96 -0.36 0.00 0.00 175.35 175.66 3jwo s ILE 20 N 2.29 4.63 0.42 5.43 -4.36 -1.06 -4.87 121.20 123.67 3jwo s ILE 20 Ca 0.09 -0.86 0.02 0.00 -0.26 0.00 0.00 60.65 59.64 3jwo s ILE 20 Cb -0.15 -3.64 0.02 0.00 1.25 0.00 0.00 42.46 39.94 3jwo s ILE 20 CO -0.32 -0.29 0.14 -1.54 0.24 0.00 0.00 174.94 173.17 3jwo n SER 21 N -1.63 2.79 -2.72 4.36 3.41 -1.26 -2.02 113.62 116.54 3jwo n SER 21 Ca -0.04 -2.64 -0.05 0.00 -0.26 0.00 0.00 58.87 55.88 3jwo n SER 21 Cb 0.57 0.14 0.04 0.00 -0.26 0.00 0.00 64.21 64.71 3jwo n SER 21 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3jwo s LYS 23 N 0.66 4.18 0.08 0.00 2.20 -0.77 -3.43 119.74 122.66 3jwo s LYS 23 Ca 0.28 2.45 0.06 0.00 -0.36 0.00 0.00 55.97 58.41 3jwo s LYS 23 Cb 0.15 -3.27 -0.04 0.00 -1.51 0.00 0.00 37.83 33.16 3jwo s LYS 23 CO -0.13 -0.70 -0.09 0.00 -0.36 0.00 0.00 175.35 174.07 3jwo s ALA 24 N 1.61 2.97 0.07 3.13 0.00 -0.35 -1.02 121.76 128.17 3jwo s ALA 24 Ca 0.73 -1.20 -0.16 0.00 0.00 0.00 0.00 51.96 51.34 3jwo s ALA 24 Cb -0.45 -0.95 0.03 0.00 0.00 0.00 0.00 23.12 21.76 3jwo s ALA 24 CO 0.32 0.64 0.37 -1.54 0.00 0.00 0.00 175.76 175.55 3jwo s SER 25 N -2.06 -0.21 0.00 0.00 1.04 -0.91 -4.87 113.70 106.69 3jwo s SER 25 Ca 0.21 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.46 3jwo s SER 25 Cb -0.11 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.43 3jwo s SER 25 CO 0.13 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.24 3jwo n GLY 26 N 0.26 0.50 3.83 7.32 0.00 -1.26 -1.34 105.19 114.49 3jwo n GLY 26 Ca -0.18 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.79 3jwo n GLY 26 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3jwo s TYR 27 N -2.00 -0.16 -0.40 1.61 -0.85 -1.26 -4.62 117.35 109.67 3jwo s TYR 27 Ca 0.00 -0.26 -0.28 0.00 -0.52 0.00 0.00 57.07 56.00 3jwo s TYR 27 Cb 0.00 0.69 -0.00 0.00 0.38 0.00 0.00 41.96 43.03 3jwo s TYR 27 CO 0.00 -1.13 1.56 0.99 -1.52 0.00 0.00 175.55 175.45 3jwo s THR 28 N -3.66 3.73 0.15 -3.49 2.01 -1.26 -4.90 115.64 108.22 3jwo s THR 28 Ca 0.12 0.73 -0.15 0.00 0.31 0.00 0.00 61.69 62.70 3jwo s THR 28 Cb -0.05 -4.03 0.03 0.00 0.01 0.00 0.00 72.50 68.46 3jwo s THR 28 CO 0.06 -0.68 1.73 0.15 -0.69 0.00 0.00 174.62 175.19 3jwo h PHE 29 N 11.59 0.67 0.00 4.92 3.57 -1.95 -3.10 116.94 132.64 3jwo h PHE 29 Ca -0.29 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.17 3jwo h PHE 29 Cb 1.13 -0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.66 3jwo h PHE 29 CO 0.97 0.54 0.00 -1.13 -2.23 0.00 0.00 178.31 176.46 3jwo n SER 30 N -4.64 0.00 -0.63 0.41 3.41 -1.26 -3.22 113.62 107.70 3jwo n SER 30 Ca 0.01 -0.56 0.12 0.00 -0.26 0.00 0.00 58.87 58.19 3jwo n SER 30 Cb 0.12 -0.12 0.21 0.00 -0.26 0.00 0.00 64.21 64.16 3jwo n SER 30 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3jwo n ASP 31 N -1.12 2.12 -4.04 4.04 9.92 -1.17 -4.00 116.55 122.29 3jwo n ASP 31 Ca 0.18 -1.60 -0.14 0.00 -0.53 0.00 0.00 54.79 52.70 3jwo n ASP 31 Cb 0.15 0.14 -0.12 0.00 -0.64 0.00 0.00 41.12 40.65 3jwo n ASP 31 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 3jwo s PHE 32 N -2.20 0.64 0.83 1.24 0.40 -1.20 -5.09 117.98 112.61 3jwo s PHE 32 Ca 0.27 -0.40 -0.11 0.00 -0.60 0.00 0.00 56.93 56.09 3jwo s PHE 32 Cb 0.20 -0.39 0.10 0.00 0.51 0.00 0.00 43.02 43.44 3jwo s PHE 32 CO 0.41 -0.06 1.15 0.71 0.70 0.00 0.00 175.22 178.12 3jwo s TYR 33 N -1.08 1.96 -0.01 0.36 1.51 -1.26 -4.52 117.35 114.30 3jwo s TYR 33 Ca -0.07 1.69 0.04 0.00 -1.01 0.00 0.00 57.07 57.72 3jwo s TYR 33 Cb -0.08 -3.31 -0.01 0.00 -0.11 0.00 0.00 41.96 38.45 3jwo s TYR 33 CO 0.00 -2.51 -0.12 1.41 -1.11 0.00 0.00 175.55 173.23 3jwo s MET 34 N -4.52 0.94 0.17 -0.62 -2.45 -0.97 -4.35 119.30 107.51 3jwo s MET 34 Ca 0.67 -0.41 0.11 0.00 -1.25 0.00 0.00 55.69 54.81 3jwo s MET 34 Cb -0.23 -0.91 -0.04 0.00 1.25 0.00 0.00 34.83 34.90 3jwo s MET 34 CO 0.54 0.25 -0.24 0.71 1.05 0.00 0.00 175.02 177.32 3jwo s TYR 35 N -0.26 2.27 -0.06 4.11 1.51 -0.47 -2.12 117.35 122.33 3jwo s TYR 35 Ca 0.04 -0.37 0.04 0.00 -1.01 0.00 0.00 57.07 55.78 3jwo s TYR 35 Cb -0.05 -1.15 -0.00 0.00 -0.11 0.00 0.00 41.96 40.65 3jwo s TYR 35 CO -0.00 0.44 -0.19 -1.58 -1.11 0.00 0.00 175.55 173.11 3jwo s TRP 36 N -1.52 1.93 0.01 2.71 0.52 -0.63 -1.10 118.94 120.86 3jwo s TRP 36 Ca 0.18 -0.62 0.02 0.00 0.02 0.00 0.00 56.10 55.71 3jwo s TRP 36 Cb -0.08 -1.30 -0.01 0.00 -1.15 0.00 0.00 33.47 30.92 3jwo s TRP 36 CO 0.09 -0.23 -0.07 0.08 0.02 0.00 0.00 176.95 176.84 3jwo s VAL 37 N 0.13 0.51 0.17 4.03 1.01 -0.43 -0.99 120.40 124.82 3jwo s VAL 37 Ca -0.07 -0.53 0.09 0.00 0.00 0.00 0.00 61.98 61.47 3jwo s VAL 37 Cb -0.13 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.73 3jwo s VAL 37 CO 0.04 -0.03 -0.19 0.00 0.00 0.00 0.00 175.10 174.92 3jwo s ARG 38 N -0.61 1.30 -0.20 2.72 1.70 -0.39 0.61 118.95 124.07 3jwo s ARG 38 Ca -0.01 -1.41 -0.04 0.00 -0.47 0.00 0.00 55.73 53.79 3jwo s ARG 38 Cb -0.05 -1.40 0.08 0.00 -0.57 0.00 0.00 34.95 33.01 3jwo s ARG 38 CO 0.00 0.29 0.13 -1.14 -1.08 0.00 0.00 175.30 173.50 3jwo s GLN 39 N -2.75 0.12 0.87 3.89 0.74 0.06 -1.43 119.66 121.16 3jwo s GLN 39 Ca 0.16 -0.10 -0.12 0.00 0.05 0.00 0.00 55.36 55.35 3jwo s GLN 39 Cb -0.06 -1.55 0.09 0.00 1.10 0.00 0.00 33.01 32.60 3jwo s GLN 39 CO 0.07 -0.74 1.01 0.00 -0.55 0.00 0.00 175.29 175.08 3jwo n ALA 40 N 5.28 -0.85 -1.49 1.58 0.00 -1.26 -1.88 120.51 121.89 3jwo n ALA 40 Ca -0.06 -0.46 -0.48 0.00 0.00 0.00 0.00 53.44 52.44 3jwo n ALA 40 Cb 0.48 -2.13 -0.06 0.00 0.00 0.00 0.00 19.45 17.74 3jwo n ALA 40 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3jwo n PRO 41 N -3.26 1.32 -2.17 0.00 -0.02 -1.26 -1.49 135.00 128.12 3jwo n PRO 41 Ca 0.12 0.35 -0.13 0.00 -2.02 0.00 0.00 63.50 61.81 3jwo n PRO 41 Cb 0.52 -2.71 -0.01 0.00 -0.02 0.00 0.00 33.50 31.27 3jwo n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3jwo n GLY 42 N 6.31 -0.03 3.46 -1.23 0.00 -1.26 -5.01 105.19 107.42 3jwo n GLY 42 Ca 0.38 -0.33 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 3jwo n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jwo s LYS 43 N -4.52 1.65 0.82 1.61 1.02 -0.56 -5.14 119.74 114.62 3jwo s LYS 43 Ca 0.00 -1.88 -0.12 0.00 0.02 0.00 0.00 55.97 53.99 3jwo s LYS 43 Cb 0.00 -1.08 0.09 0.00 -0.52 0.00 0.00 37.83 36.32 3jwo s LYS 43 CO 0.00 -0.07 1.14 0.20 -0.92 0.00 0.00 175.35 175.70 3jwo s GLY 44 N -3.50 1.86 0.65 -3.33 0.00 -1.26 -4.47 107.32 97.27 3jwo s GLY 44 Ca 0.33 0.57 -0.17 0.00 0.00 0.00 0.00 44.72 45.45 3jwo s GLY 44 CO 0.14 0.97 1.22 1.08 0.00 0.00 0.00 173.10 176.51 3jwo s LEU 45 N -6.02 3.52 -0.19 0.66 1.43 -1.26 -4.43 118.68 112.39 3jwo s LEU 45 Ca 0.67 2.41 -0.04 0.00 -1.03 0.00 0.00 54.13 56.14 3jwo s LEU 45 Cb -0.23 -4.60 0.09 0.00 0.03 0.00 0.00 46.19 41.49 3jwo s LEU 45 CO 0.54 -1.89 0.26 -0.70 0.23 0.00 0.00 176.35 174.79 3jwo s GLU 46 N -3.56 0.21 0.64 1.70 2.12 -0.51 -5.02 118.70 114.28 3jwo s GLU 46 Ca 0.77 0.40 -0.16 0.00 0.36 0.00 0.00 54.97 56.33 3jwo s GLU 46 Cb -0.31 -0.78 -0.01 0.00 0.26 0.00 0.00 34.13 33.29 3jwo s GLU 46 CO 0.39 -0.56 1.15 -0.46 -0.54 0.00 0.00 175.26 175.23 3jwo s TRP 47 N 2.39 2.49 0.00 5.30 -0.00 -1.26 -1.26 118.94 126.60 3jwo s TRP 47 Ca 0.07 1.55 0.00 0.00 -0.00 0.00 0.00 56.10 57.72 3jwo s TRP 47 Cb -0.15 -3.29 0.00 0.00 -0.00 0.00 0.00 33.47 30.03 3jwo s TRP 47 CO -0.12 -1.91 0.00 -1.33 -0.00 0.00 0.00 176.95 173.59 3jwo n MET 48 N -2.12 0.34 0.00 5.86 2.81 -0.16 -4.76 117.12 119.09 3jwo n MET 48 Ca 0.12 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.01 3jwo n MET 48 Cb 0.51 -0.82 0.00 0.00 -0.71 0.00 0.00 33.22 32.20 3jwo n MET 48 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3jwo n GLY 49 N 2.69 -0.74 2.88 3.03 0.00 -1.22 -1.90 105.19 109.93 3jwo n GLY 49 Ca 0.00 -1.09 -0.16 0.00 0.00 0.00 0.00 46.02 44.77 3jwo n GLY 49 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3jwo n LEU 50 N 0.00 0.00 -3.64 0.99 -0.00 -0.57 -1.60 117.00 112.18 3jwo n LEU 50 Ca 0.00 -2.76 -0.06 0.00 -0.00 0.00 0.00 56.01 53.19 3jwo n LEU 50 Cb 0.00 1.64 -0.07 0.00 -0.00 0.00 0.00 43.42 44.99 3jwo n LEU 50 CO 0.00 -0.49 0.67 -0.51 -0.00 0.00 0.00 177.39 177.06 3jwo s ILE 51 N -3.12 0.00 -0.43 1.47 2.07 -0.90 -2.74 121.20 117.55 3jwo s ILE 51 Ca 0.34 0.00 -0.19 0.00 -1.41 0.00 0.00 60.65 59.38 3jwo s ILE 51 Cb 0.01 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.63 3jwo s ILE 51 CO 0.24 0.00 0.57 -0.62 -1.91 0.00 0.00 174.94 173.22 3jwo s ASP 52 N 0.92 6.28 0.39 4.50 -1.08 -0.15 -2.29 116.67 125.25 3jwo s ASP 52 Ca -0.04 -0.45 0.10 0.00 -0.52 0.00 0.00 52.55 51.63 3jwo s ASP 52 Cb -0.04 -2.29 0.87 0.00 -1.46 0.00 0.00 42.92 40.00 3jwo s ASP 52 CO -0.12 -0.71 1.96 -0.65 0.52 0.00 0.00 175.17 176.17 3jwo h PRO 52 N 8.82 0.58 0.19 4.34 0.11 -1.81 0.63 132.00 144.86 3jwo h PRO 52 Ca -0.26 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.83 3jwo h PRO 52 Cb 1.10 -0.13 -0.04 0.00 0.11 0.00 0.00 31.00 32.04 3jwo h PRO 52 CO 0.86 0.39 -0.45 0.93 -0.21 0.00 0.00 178.00 179.51 3jwo h GLU 53 N 0.60 -0.71 -0.09 1.05 4.39 -1.93 -3.16 114.58 114.72 3jwo h GLU 53 Ca 0.31 0.05 0.00 0.00 0.34 0.00 0.00 59.36 60.06 3jwo h GLU 53 Cb 0.43 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 3jwo h GLU 53 CO -0.10 -0.47 0.00 -0.25 -1.16 0.00 0.00 179.01 177.02 3jwo n ASP 54 N -5.49 2.51 -2.62 1.42 8.00 -1.14 -4.97 116.55 114.26 3jwo n ASP 54 Ca -0.08 -1.73 -0.21 0.00 0.71 0.00 0.00 54.79 53.48 3jwo n ASP 54 Cb 0.40 -0.05 0.01 0.00 -0.02 0.00 0.00 41.12 41.46 3jwo n ASP 54 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3jwo n ALA 55 N 0.93 -0.75 -2.22 2.24 0.00 0.22 -4.95 120.51 115.98 3jwo n ALA 55 Ca 0.11 0.20 -0.42 0.00 0.00 0.00 0.00 53.44 53.33 3jwo n ALA 55 Cb 0.42 -2.74 -0.03 0.00 0.00 0.00 0.00 19.45 17.11 3jwo n ALA 55 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3jwo s ASP 56 N -2.27 6.87 0.12 0.00 -0.00 -1.06 -4.81 116.67 115.52 3jwo s ASP 56 Ca 0.11 2.23 0.08 0.00 -0.00 0.00 0.00 52.55 54.96 3jwo s ASP 56 Cb -0.05 -2.58 -0.04 0.00 -0.00 0.00 0.00 42.92 40.26 3jwo s ASP 56 CO 0.13 -0.64 -0.19 0.42 -0.00 0.00 0.00 175.17 174.89 3jwo s THR 57 N 1.39 1.68 0.01 -1.27 -4.23 -1.26 -0.97 115.64 110.98 3jwo s THR 57 Ca 0.64 -1.64 0.02 0.00 -1.18 0.00 0.00 61.69 59.53 3jwo s THR 57 Cb -0.34 -1.60 -0.01 0.00 1.34 0.00 0.00 72.50 71.89 3jwo s THR 57 CO 0.29 -0.16 -0.07 -0.04 -0.54 0.00 0.00 174.62 174.10 3jwo s MET 58 N -2.18 0.55 0.09 3.99 -1.94 -1.11 -4.97 119.30 113.72 3jwo s MET 58 Ca 0.08 -0.36 0.05 0.00 -1.71 0.00 0.00 55.69 53.75 3jwo s MET 58 Cb -0.09 -0.49 -0.03 0.00 2.01 0.00 0.00 34.83 36.23 3jwo s MET 58 CO 0.05 0.13 -0.13 0.71 -0.01 0.00 0.00 175.02 175.76 3jwo s TYR 59 N -0.42 1.22 0.64 -0.03 4.12 -1.26 -1.51 117.35 120.10 3jwo s TYR 59 Ca 0.00 -0.53 -0.14 0.00 0.02 0.00 0.00 57.07 56.42 3jwo s TYR 59 Cb -0.04 -0.67 -0.01 0.00 -1.52 0.00 0.00 41.96 39.72 3jwo s TYR 59 CO -0.00 0.07 1.07 0.00 0.02 0.00 0.00 175.55 176.71 3jwo s ALA 60 N -1.75 2.63 0.34 3.71 0.00 -0.80 -4.87 121.76 121.03 3jwo s ALA 60 Ca 0.02 0.35 0.04 0.00 0.00 0.00 0.00 51.96 52.37 3jwo s ALA 60 Cb -0.07 -3.24 0.66 0.00 0.00 0.00 0.00 23.12 20.47 3jwo s ALA 60 CO 0.02 -1.07 1.96 1.49 0.00 0.00 0.00 175.76 178.16 3jwo h GLU 61 N -0.01 0.82 0.00 0.00 4.81 -1.96 -1.91 114.58 116.34 3jwo h GLU 61 Ca -0.46 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 3jwo h GLU 61 Cb 1.22 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.42 3jwo h GLU 61 CO 0.56 0.55 0.00 1.17 -0.73 0.00 0.00 179.01 180.56 3jwo n LYS 62 N -4.47 0.56 0.00 1.92 4.81 -1.26 -3.21 118.16 116.52 3jwo n LYS 62 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.54 3jwo n LYS 62 Cb 0.18 -1.42 0.00 0.00 0.02 0.00 0.00 35.03 33.81 3jwo n LYS 62 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 3jwo n PHE 63 N -0.92 0.00 -1.65 5.64 3.01 -0.75 -5.05 117.46 117.74 3jwo n PHE 63 Ca 0.11 0.00 -0.45 0.00 1.01 0.00 0.00 57.45 58.12 3jwo n PHE 63 Cb 0.05 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.49 3jwo n PHE 63 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3jwo n ARG 64 N -0.28 1.83 -1.81 -1.08 1.74 -1.02 -1.59 116.66 114.45 3jwo n ARG 64 Ca 0.00 0.65 -0.12 0.00 -0.77 0.00 0.00 57.85 57.61 3jwo n ARG 64 Cb 0.00 -2.25 -0.03 0.00 -1.02 0.00 0.00 32.46 29.16 3jwo n ARG 64 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jwo n GLY 65 N 1.97 0.54 0.00 -0.13 0.00 -1.26 -4.75 105.19 101.57 3jwo n GLY 65 Ca 0.12 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.71 3jwo n GLY 65 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3jwo n ARG 66 N -2.39 0.19 -4.20 1.61 0.63 -0.62 -5.09 116.66 106.80 3jwo n ARG 66 Ca -0.13 0.00 -0.19 0.00 -0.92 0.00 0.00 57.85 56.61 3jwo n ARG 66 Cb 0.51 -0.02 -0.12 0.00 0.45 0.00 0.00 32.46 33.28 3jwo n ARG 66 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3jwo s VAL 67 N 0.00 1.14 -0.07 5.15 0.11 -0.82 -4.45 120.40 121.47 3jwo s VAL 67 Ca 0.00 -1.28 -0.03 0.00 -2.93 0.00 0.00 61.98 57.74 3jwo s VAL 67 Cb 0.00 -1.08 0.04 0.00 -1.53 0.00 0.00 36.38 33.81 3jwo s VAL 67 CO 0.00 -0.19 0.14 -0.89 -3.33 0.00 0.00 175.10 170.82 3jwo s THR 68 N -1.22 -0.13 -0.16 5.04 2.01 -0.04 -4.93 115.64 116.21 3jwo s THR 68 Ca -0.01 0.26 -0.02 0.00 0.31 0.00 0.00 61.69 62.23 3jwo s THR 68 Cb -0.10 -0.24 -0.01 0.00 0.01 0.00 0.00 72.50 72.16 3jwo s THR 68 CO 0.02 0.11 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.34 3jwo s ILE 69 N 1.63 3.27 0.21 1.82 1.01 -1.26 -0.19 121.20 127.69 3jwo s ILE 69 Ca -0.04 -0.56 0.01 0.00 0.00 0.00 0.00 60.65 60.06 3jwo s ILE 69 Cb -0.12 -2.42 -0.00 0.00 0.01 0.00 0.00 42.46 39.93 3jwo s ILE 69 CO -0.05 0.49 0.04 0.35 0.00 0.00 0.00 174.94 175.77 3jwo n THR 70 N 3.93 0.00 -3.15 2.92 -2.24 -1.19 -4.98 114.28 109.57 3jwo n THR 70 Ca -0.18 -1.12 0.04 0.00 -2.27 0.00 0.00 64.05 60.53 3jwo n THR 70 Cb 0.52 0.33 -0.00 0.00 -2.10 0.00 0.00 70.33 69.08 3jwo n THR 70 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3jwo s ALA 71 N -2.48 -2.92 -0.67 6.98 0.00 -1.26 -2.69 121.76 118.72 3jwo s ALA 71 Ca 0.06 1.21 -0.26 0.00 0.00 0.00 0.00 51.96 52.97 3jwo s ALA 71 Cb 0.00 -2.61 -0.03 0.00 0.00 0.00 0.00 23.12 20.49 3jwo s ALA 71 CO 0.04 -1.87 1.87 0.34 0.00 0.00 0.00 175.76 176.14 3jwo s ASP 72 N 2.87 5.26 0.48 0.00 2.15 0.14 -4.84 116.67 122.73 3jwo s ASP 72 Ca 0.16 0.11 0.14 0.00 0.43 0.00 0.00 52.55 53.39 3jwo s ASP 72 Cb -0.08 -2.54 1.11 0.00 -0.30 0.00 0.00 42.92 41.12 3jwo s ASP 72 CO -0.24 -2.44 2.08 0.71 -0.17 0.00 0.00 175.17 175.10 3jwo h THR 73 N 6.95 1.06 -0.15 1.71 1.35 -1.93 -2.63 112.91 119.27 3jwo h THR 73 Ca -0.19 -0.25 -0.13 0.00 -0.55 0.00 0.00 66.41 65.30 3jwo h THR 73 Cb 1.13 1.04 -0.01 0.00 -1.73 0.00 0.00 68.15 68.58 3jwo h THR 73 CO 1.22 0.08 -0.48 0.77 -0.25 0.00 0.00 175.52 176.86 3jwo h SER 74 N 0.09 0.42 -0.52 5.36 4.64 -1.94 -3.13 113.55 118.46 3jwo h SER 74 Ca 0.02 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 3jwo h SER 74 Cb 0.10 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3jwo h SER 74 CO 0.00 0.83 0.00 0.35 -0.87 0.00 0.00 176.83 177.14 3jwo n THR 75 N -3.98 0.91 -3.91 2.95 -2.24 -1.11 -4.96 114.28 101.94 3jwo n THR 75 Ca -0.02 -0.95 -0.30 0.00 -2.27 0.00 0.00 64.05 60.51 3jwo n THR 75 Cb 0.54 0.58 0.03 0.00 -2.10 0.00 0.00 70.33 69.38 3jwo n THR 75 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3jwo n ASP 76 N 1.17 -4.63 -4.27 3.42 9.92 -1.04 -4.80 116.55 116.32 3jwo n ASP 76 Ca 0.18 -0.78 -0.28 0.00 -0.53 0.00 0.00 54.79 53.38 3jwo n ASP 76 Cb 0.53 -3.88 -0.15 0.00 -0.64 0.00 0.00 41.12 36.99 3jwo n ASP 76 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3jwo s THR 77 N -3.32 1.80 0.02 -3.53 2.01 -1.02 -1.22 115.64 110.39 3jwo s THR 77 Ca 0.64 -1.10 0.07 0.00 0.31 0.00 0.00 61.69 61.61 3jwo s THR 77 Cb -0.32 -1.52 -0.03 0.00 0.01 0.00 0.00 72.50 70.64 3jwo s THR 77 CO 0.83 0.40 -0.19 -0.83 -0.69 0.00 0.00 174.62 174.14 3jwo s GLY 78 N -0.83 1.52 0.45 4.40 0.00 -1.22 -0.69 107.32 110.96 3jwo s GLY 78 Ca 0.09 -1.17 0.04 0.00 0.00 0.00 0.00 44.72 43.68 3jwo s GLY 78 CO 0.00 -1.03 0.02 -0.19 0.00 0.00 0.00 173.10 171.90 3jwo s TYR 79 N -0.86 2.10 -0.26 1.90 1.51 -1.09 -1.44 117.35 119.21 3jwo s TYR 79 Ca 0.13 -0.88 -0.10 0.00 -1.01 0.00 0.00 57.07 55.21 3jwo s TYR 79 Cb -0.10 -1.60 0.10 0.00 -0.11 0.00 0.00 41.96 40.25 3jwo s TYR 79 CO 0.04 0.24 0.58 -1.17 -1.11 0.00 0.00 175.55 174.13 3jwo s LEU 80 N -3.76 -0.88 -0.03 -1.29 2.96 -0.86 -3.18 118.68 111.65 3jwo s LEU 80 Ca 0.21 1.35 0.03 0.00 -0.22 0.00 0.00 54.13 55.50 3jwo s LEU 80 Cb 0.05 1.99 -0.03 0.00 0.50 0.00 0.00 46.19 48.71 3jwo s LEU 80 CO 0.11 -0.22 -0.11 -0.70 -1.32 0.00 0.00 176.35 174.10 3jwo s GLU 81 N 2.43 2.52 0.15 1.98 2.12 0.73 -2.56 118.70 126.06 3jwo s GLU 81 Ca -0.06 -0.70 0.04 0.00 0.36 0.00 0.00 54.97 54.61 3jwo s GLU 81 Cb -0.10 -2.43 -0.04 0.00 0.26 0.00 0.00 34.13 31.81 3jwo s GLU 81 CO -0.17 0.62 -0.09 -1.17 -0.54 0.00 0.00 175.26 173.91 3jwo s LEU 82 N -1.01 2.48 0.00 2.70 2.96 -0.90 -0.86 118.68 124.06 3jwo s LEU 82 Ca 0.13 -1.04 0.00 0.00 -0.22 0.00 0.00 54.13 53.01 3jwo s LEU 82 Cb -0.11 -0.31 0.00 0.00 0.50 0.00 0.00 46.19 46.28 3jwo s LEU 82 CO 0.03 -0.37 0.00 -0.24 -1.32 0.00 0.00 176.35 174.45 3jwo n SER 82 N -0.20 0.00 -4.77 3.68 2.88 -1.21 -3.43 113.62 110.56 3jwo n SER 82 Ca -0.10 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.08 3jwo n SER 82 Cb 0.61 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.07 3jwo n SER 82 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3jwo s LEU 82 N -1.19 3.85 0.00 2.46 1.43 -0.99 -4.78 118.68 119.47 3jwo s LEU 82 Ca 0.00 2.30 0.00 0.00 -1.03 0.00 0.00 54.13 55.40 3jwo s LEU 82 Cb 0.00 -4.42 0.00 0.00 0.03 0.00 0.00 46.19 41.80 3jwo s LEU 82 CO 0.00 -1.17 0.00 0.54 0.23 0.00 0.00 176.35 175.95 3jwo n ARG 83 N -0.98 2.32 0.07 1.70 1.74 -1.26 -0.86 116.66 119.38 3jwo n ARG 83 Ca 0.10 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 57.21 3jwo n ARG 83 Cb 0.49 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.89 3jwo n ARG 83 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3jwo h SER 84 N 0.00 0.00 -0.33 0.55 0.87 -1.97 -3.33 113.55 109.34 3jwo h SER 84 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3jwo h SER 84 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 3jwo h SER 84 CO 0.00 0.44 0.00 -0.62 -0.53 0.00 0.00 176.83 176.12 3jwo n GLU 85 N -2.92 1.93 -0.04 2.24 4.71 -1.26 -3.76 120.64 121.55 3jwo n GLU 85 Ca -0.05 -1.43 0.13 0.00 -0.01 0.00 0.00 57.16 55.80 3jwo n GLU 85 Cb 0.75 -1.37 0.37 0.00 -1.01 0.00 0.00 31.44 30.19 3jwo n GLU 85 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 3jwo n ASP 86 N 0.65 2.03 -4.58 1.62 8.00 -1.25 -4.85 116.55 118.16 3jwo n ASP 86 Ca 0.15 -1.70 -0.41 0.00 0.71 0.00 0.00 54.79 53.54 3jwo n ASP 86 Cb 0.37 -0.05 -0.03 0.00 -0.02 0.00 0.00 41.12 41.39 3jwo n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3jwo s THR 87 N -1.90 3.40 0.20 -3.53 2.01 -1.25 -4.87 115.64 109.70 3jwo s THR 87 Ca 0.35 0.37 -0.23 0.00 0.31 0.00 0.00 61.69 62.48 3jwo s THR 87 Cb 0.20 -3.66 0.05 0.00 0.01 0.00 0.00 72.50 69.10 3jwo s THR 87 CO 0.31 -0.50 0.88 0.00 -0.69 0.00 0.00 174.62 174.62 3jwo s ALA 88 N 7.84 -1.48 0.08 7.40 0.00 -1.03 -4.23 121.76 130.33 3jwo s ALA 88 Ca 0.78 -0.06 -0.23 0.00 0.00 0.00 0.00 51.96 52.45 3jwo s ALA 88 Cb -0.20 0.71 -0.06 0.00 0.00 0.00 0.00 23.12 23.57 3jwo s ALA 88 CO 0.30 -1.04 0.70 0.08 0.00 0.00 0.00 175.76 175.80 3jwo s VAL 89 N -3.42 4.65 -0.24 0.00 1.01 -0.79 -1.99 120.40 119.62 3jwo s VAL 89 Ca 0.12 1.51 -0.03 0.00 0.00 0.00 0.00 61.98 63.59 3jwo s VAL 89 Cb -0.03 -4.05 0.01 0.00 0.00 0.00 0.00 36.38 32.31 3jwo s VAL 89 CO 0.04 0.46 -0.05 -0.31 0.00 0.00 0.00 175.10 175.24 3jwo s TYR 90 N -0.61 3.01 0.11 5.22 1.51 -0.47 -0.76 117.35 125.36 3jwo s TYR 90 Ca 0.35 -1.23 0.02 0.00 -1.01 0.00 0.00 57.07 55.20 3jwo s TYR 90 Cb -0.21 -2.09 -0.04 0.00 -0.11 0.00 0.00 41.96 39.51 3jwo s TYR 90 CO 0.22 -0.64 0.19 0.71 -1.11 0.00 0.00 175.55 174.92 3jwo s TYR 91 N 1.41 3.36 -0.02 2.71 1.51 0.20 -1.75 117.35 124.76 3jwo s TYR 91 Ca 0.03 0.12 0.06 0.00 -1.01 0.00 0.00 57.07 56.27 3jwo s TYR 91 Cb -0.15 -1.65 -0.01 0.00 -0.11 0.00 0.00 41.96 40.03 3jwo s TYR 91 CO -0.04 0.54 -0.21 0.00 -1.11 0.00 0.00 175.55 174.73 3jwo s ALA 93 N -0.40 1.92 0.36 0.00 0.00 -0.26 -1.28 121.76 122.09 3jwo s ALA 93 Ca 0.06 -1.84 -0.08 0.00 0.00 0.00 0.00 51.96 50.10 3jwo s ALA 93 Cb -0.09 1.00 0.03 0.00 0.00 0.00 0.00 23.12 24.06 3jwo s ALA 93 CO -0.00 -0.44 0.62 0.00 0.00 0.00 0.00 175.76 175.94 3jwo n ALA 94 N -0.54 -1.04 -2.96 0.00 0.00 -0.85 -1.36 120.51 113.76 3jwo n ALA 94 Ca -0.00 -1.40 -0.15 0.00 0.00 0.00 0.00 53.44 51.89 3jwo n ALA 94 Cb 0.66 1.12 -0.00 0.00 0.00 0.00 0.00 19.45 21.23 3jwo n ALA 94 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3jwo n ASP 95 N -1.57 -1.34 0.00 0.00 2.03 -1.26 -2.01 116.55 112.40 3jwo n ASP 95 Ca -0.04 -3.07 0.02 0.00 0.52 0.00 0.00 54.79 52.21 3jwo n ASP 95 Cb 0.57 0.67 0.11 0.00 -0.72 0.00 0.00 41.12 41.74 3jwo n ASP 95 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 3jwo n PRO 96 N 1.34 0.10 0.00 -0.67 -0.02 -1.26 -0.89 135.00 133.59 3jwo n PRO 96 Ca 0.15 0.08 0.02 0.00 -2.02 0.00 0.00 63.50 61.74 3jwo n PRO 96 Cb 0.60 -1.50 0.01 0.00 -0.02 0.00 0.00 33.50 32.59 3jwo n PRO 96 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 3jwo n TRP 97 N -1.09 0.00 -3.39 6.00 8.01 -1.26 -5.03 117.44 120.68 3jwo n TRP 97 Ca 0.02 0.00 -0.18 0.00 -1.31 0.00 0.00 57.50 56.03 3jwo n TRP 97 Cb 0.02 0.00 0.08 0.00 -2.01 0.00 0.00 31.31 29.39 3jwo n TRP 97 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.69 177.07 3jwo n GLU 98 N 0.07 -6.57 -0.02 -0.99 1.02 -0.07 -4.88 120.64 109.20 3jwo n GLU 98 Ca 0.03 0.76 0.13 0.00 -0.02 0.00 0.00 57.16 58.06 3jwo n GLU 98 Cb 0.12 -5.54 0.51 0.00 -0.02 0.00 0.00 31.44 26.50 3jwo n GLU 98 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3jwo n LEU 99 N -4.18 1.50 -3.52 -4.62 4.77 -1.26 -4.94 117.00 104.74 3jwo n LEU 99 Ca -0.13 -0.53 -0.19 0.00 -0.03 0.00 0.00 56.01 55.14 3jwo n LEU 99 Cb 0.61 -0.02 0.07 0.00 -2.33 0.00 0.00 43.42 41.74 3jwo n LEU 99 CO 0.57 0.26 0.04 0.59 -1.33 0.00 0.00 177.39 177.52 3jwo n ASN 100 N 0.18 -1.88 -3.69 -1.43 4.13 -1.26 -5.01 115.26 106.30 3jwo n ASN 100 Ca 0.19 -0.70 -0.06 0.00 1.68 0.00 0.00 54.58 55.68 3jwo n ASN 100 Cb 0.34 -4.73 -0.02 0.00 -1.54 0.00 0.00 39.78 33.84 3jwo n ASN 100 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3jwo s ALA 100 N -3.47 -1.58 -0.58 5.41 0.00 -1.26 -5.12 121.76 115.16 3jwo s ALA 100 Ca 0.02 0.24 -0.24 0.00 0.00 0.00 0.00 51.96 51.98 3jwo s ALA 100 Cb -0.00 0.68 0.05 0.00 0.00 0.00 0.00 23.12 23.84 3jwo s ALA 100 CO 0.76 -0.94 0.96 -0.06 0.00 0.00 0.00 175.76 176.48 3jwo s PHE 100 N -3.46 2.75 -0.18 0.00 0.08 -1.26 -4.53 117.98 111.39 3jwo s PHE 100 Ca 0.09 -0.12 -0.14 0.00 0.12 0.00 0.00 56.93 56.88 3jwo s PHE 100 Cb -0.02 -4.13 -0.22 0.00 -0.57 0.00 0.00 43.02 38.08 3jwo s PHE 100 CO -0.01 -1.43 0.23 -1.71 -0.10 0.00 0.00 175.22 172.20 3jwo n ASN 101 N 7.57 1.99 -4.75 1.36 2.85 -0.85 -4.92 115.26 118.50 3jwo n ASN 101 Ca 0.01 0.31 -0.34 0.00 -0.11 0.00 0.00 54.58 54.44 3jwo n ASN 101 Cb 0.47 -0.89 -0.08 0.00 1.24 0.00 0.00 39.78 40.52 3jwo n ASN 101 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 3jwo s VAL 102 N -2.46 4.64 0.20 3.44 -7.23 -1.12 -5.00 120.40 112.86 3jwo s VAL 102 Ca -0.27 -0.29 0.03 0.00 -1.81 0.00 0.00 61.98 59.64 3jwo s VAL 102 Cb 0.07 -3.04 -0.05 0.00 0.56 0.00 0.00 36.38 33.92 3jwo s VAL 102 CO 0.66 0.48 -0.02 0.26 -0.31 0.00 0.00 175.10 176.17 3jwo s TRP 103 N -1.06 1.41 0.48 2.82 0.52 -1.26 -2.01 118.94 119.84 3jwo s TRP 103 Ca 0.18 -0.92 0.03 0.00 0.02 0.00 0.00 56.10 55.41 3jwo s TRP 103 Cb -0.12 -0.80 0.02 0.00 -1.15 0.00 0.00 33.47 31.42 3jwo s TRP 103 CO 0.08 -0.07 0.68 0.20 0.02 0.00 0.00 176.95 177.86 3jwo s GLY 104 N -3.25 1.75 0.42 0.98 0.00 -0.41 -4.18 107.32 102.64 3jwo s GLY 104 Ca 0.25 -1.33 0.28 0.00 0.00 0.00 0.00 44.72 43.93 3jwo s GLY 104 CO 0.06 -1.11 1.82 0.06 0.00 0.00 0.00 173.10 173.93 3jwo h GLN 105 N 0.34 0.00 0.00 2.90 -0.00 -1.92 -3.45 115.11 112.98 3jwo h GLN 105 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.22 3jwo h GLN 105 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.76 3jwo h GLN 105 CO 0.52 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.76 3jwo n GLY 106 N 0.40 2.68 2.61 0.06 0.00 -1.26 -5.05 105.19 104.64 3jwo n GLY 106 Ca 0.02 -1.86 -0.27 0.00 0.00 0.00 0.00 46.02 43.91 3jwo n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3jwo s THR 107 N -2.61 0.02 -0.16 2.61 2.01 -0.72 -4.75 115.64 112.04 3jwo s THR 107 Ca 0.00 -0.39 -0.29 0.00 0.31 0.00 0.00 61.69 61.32 3jwo s THR 107 Cb 0.00 -0.76 -0.02 0.00 0.01 0.00 0.00 72.50 71.74 3jwo s THR 107 CO 0.00 -0.39 1.29 -0.22 -0.69 0.00 0.00 174.62 174.61 3jwo s LEU 108 N 2.08 4.18 -0.24 4.42 2.96 -1.26 -1.37 118.68 129.45 3jwo s LEU 108 Ca 0.03 1.71 -0.01 0.00 -0.22 0.00 0.00 54.13 55.65 3jwo s LEU 108 Cb -0.16 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 43.02 3jwo s LEU 108 CO -0.16 -0.79 -0.08 -0.69 -1.32 0.00 0.00 176.35 173.31 3jwo s VAL 109 N 3.58 2.75 -0.26 1.68 1.01 -0.84 -1.69 120.40 126.63 3jwo s VAL 109 Ca 0.56 -1.02 -0.06 0.00 0.00 0.00 0.00 61.98 61.46 3jwo s VAL 109 Cb -0.22 -2.37 -0.01 0.00 0.00 0.00 0.00 36.38 33.78 3jwo s VAL 109 CO 0.16 0.24 0.04 -0.44 0.00 0.00 0.00 175.10 175.10 3jwo s SER 110 N 1.31 4.89 -0.29 3.32 0.01 -0.91 -2.47 113.70 119.56 3jwo s SER 110 Ca 0.01 -0.45 0.01 0.00 1.31 0.00 0.00 55.95 56.82 3jwo s SER 110 Cb -0.16 -1.85 0.06 0.00 0.21 0.00 0.00 66.02 64.28 3jwo s SER 110 CO -0.06 -0.09 -0.04 -0.69 0.41 0.00 0.00 173.24 172.78 3jwo s VAL 111 N 1.53 2.60 0.32 3.43 1.01 -1.26 -1.68 120.40 126.35 3jwo s VAL 111 Ca 0.05 -1.58 -0.06 0.00 0.00 0.00 0.00 61.98 60.39 3jwo s VAL 111 Cb -0.16 -2.55 0.00 0.00 0.00 0.00 0.00 36.38 33.68 3jwo s VAL 111 CO 0.01 -0.13 0.49 -0.55 0.00 0.00 0.00 175.10 174.93 3jwo s SER 112 N 1.19 0.62 0.12 3.32 0.15 -0.93 -4.58 113.70 113.59 3jwo s SER 112 Ca -0.05 -1.35 -0.04 0.00 0.70 0.00 0.00 55.95 55.21 3jwo s SER 112 Cb -0.20 0.66 -0.12 0.00 -1.71 0.00 0.00 66.02 64.65 3jwo s SER 112 CO -0.03 -1.29 1.28 0.28 1.20 0.00 0.00 173.24 174.68 3jwo h SER 113 N 2.14 0.48 -4.49 5.45 0.02 -1.89 -3.34 113.55 111.92 3jwo h SER 113 Ca -0.28 -0.41 -0.49 0.00 -0.84 0.00 0.00 61.79 59.77 3jwo h SER 113 Cb 1.24 -0.15 0.09 0.00 0.14 0.00 0.00 62.40 63.72 3jwo h SER 113 CO 0.39 1.22 0.40 0.00 -1.14 0.00 0.00 176.83 177.71 3jwo s ALA 114 N -3.14 2.75 0.39 3.77 0.00 -1.26 -5.00 121.76 119.26 3jwo s ALA 114 Ca -0.05 -0.41 0.08 0.00 0.00 0.00 0.00 51.96 51.58 3jwo s ALA 114 Cb 0.09 -3.02 -0.06 0.00 0.00 0.00 0.00 23.12 20.13 3jwo s ALA 114 CO 0.87 -1.35 0.09 0.45 0.00 0.00 0.00 175.76 175.81 3jwo s SER 115 N -4.36 4.23 -0.39 0.00 0.15 -1.26 -4.95 113.70 107.12 3jwo s SER 115 Ca 0.59 -1.11 -0.41 0.00 0.70 0.00 0.00 55.95 55.72 3jwo s SER 115 Cb -0.11 -0.48 -0.16 0.00 -1.71 0.00 0.00 66.02 63.55 3jwo s SER 115 CO 0.51 -0.42 1.90 0.41 1.20 0.00 0.00 173.24 176.85 3jwo n THR 116 N -1.08 0.15 -3.73 6.45 -1.04 -1.24 -4.70 114.28 109.09 3jwo n THR 116 Ca -0.03 -0.07 -0.17 0.00 -2.04 0.00 0.00 64.05 61.74 3jwo n THR 116 Cb 0.64 -0.99 -0.17 0.00 -1.82 0.00 0.00 70.33 67.99 3jwo n THR 116 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 3jwo s LYS 117 N 4.58 -0.04 0.99 -2.82 2.36 -0.10 -4.91 119.74 119.80 3jwo s LYS 117 Ca 1.07 0.30 -0.11 0.00 -2.55 0.00 0.00 55.97 54.68 3jwo s LYS 117 Cb -1.22 -0.34 0.17 0.00 -1.05 0.00 0.00 37.83 35.40 3jwo s LYS 117 CO 0.66 -0.23 1.00 0.41 1.55 0.00 0.00 175.35 178.74 3jwo n GLY 118 N 4.65 -0.99 3.78 5.54 0.00 -1.26 -2.40 105.19 114.51 3jwo n GLY 118 Ca -0.18 -0.83 -0.39 0.00 0.00 0.00 0.00 46.02 44.62 3jwo n GLY 118 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3jwo s PRO 119 N -4.44 4.54 -0.44 1.61 0.02 -1.26 -4.54 135.00 130.50 3jwo s PRO 119 Ca 0.66 1.12 -0.19 0.00 0.02 0.00 0.00 61.00 62.62 3jwo s PRO 119 Cb -0.23 -3.26 0.03 0.00 0.02 0.00 0.00 34.50 31.05 3jwo s PRO 119 CO 0.61 0.57 0.53 -1.12 -0.33 0.00 0.00 177.00 177.25 3jwo s SER 120 N -1.11 6.24 -0.15 2.53 0.01 -0.56 -4.92 113.70 115.74 3jwo s SER 120 Ca 0.35 -0.59 -0.20 0.00 1.31 0.00 0.00 55.95 56.82 3jwo s SER 120 Cb -0.23 -2.26 -0.03 0.00 0.21 0.00 0.00 66.02 63.71 3jwo s SER 120 CO 0.26 -0.68 0.56 -0.69 0.41 0.00 0.00 173.24 173.10 3jwo s VAL 121 N 2.41 5.11 -0.08 3.43 1.01 -1.26 -2.40 120.40 128.62 3jwo s VAL 121 Ca 0.16 1.09 0.02 0.00 0.00 0.00 0.00 61.98 63.26 3jwo s VAL 121 Cb -0.16 -3.89 0.01 0.00 0.00 0.00 0.00 36.38 32.34 3jwo s VAL 121 CO 0.15 0.23 -0.14 -0.36 0.00 0.00 0.00 175.10 174.98 3jwo s PHE 122 N 1.18 1.70 1.08 5.22 0.08 -0.62 -4.97 117.98 121.64 3jwo s PHE 122 Ca 0.28 -0.67 -0.12 0.00 0.12 0.00 0.00 56.93 56.54 3jwo s PHE 122 Cb -0.16 -1.22 0.24 0.00 -0.57 0.00 0.00 43.02 41.31 3jwo s PHE 122 CO 0.11 -0.33 1.06 -2.30 -0.10 0.00 0.00 175.22 173.66 3jwo n PRO 123 N 3.85 -1.72 -3.30 0.24 -0.02 -1.26 -2.17 135.00 130.62 3jwo n PRO 123 Ca -0.21 -0.46 -0.24 0.00 -2.02 0.00 0.00 63.50 60.57 3jwo n PRO 123 Cb 0.52 -2.24 -0.08 0.00 -0.02 0.00 0.00 33.50 31.67 3jwo n PRO 123 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3jwo n LEU 124 N -4.67 -0.86 -4.86 2.45 4.77 -0.72 -4.78 117.00 108.34 3jwo n LEU 124 Ca 0.06 -4.20 -0.31 0.00 -0.03 0.00 0.00 56.01 51.54 3jwo n LEU 124 Cb 0.53 0.58 -0.01 0.00 -2.33 0.00 0.00 43.42 42.19 3jwo n LEU 124 CO 0.54 1.88 0.68 0.00 -1.33 0.00 0.00 177.39 179.16 3jwo s ALA 125 N 0.12 3.11 0.40 -1.18 0.00 -1.26 -2.91 121.76 120.05 3jwo s ALA 125 Ca 0.33 -0.02 -0.27 0.00 0.00 0.00 0.00 51.96 52.00 3jwo s ALA 125 Cb 0.04 -3.05 -0.10 0.00 0.00 0.00 0.00 23.12 20.01 3jwo s ALA 125 CO -0.18 -0.48 1.42 -2.14 0.00 0.00 0.00 175.76 174.39 3jwo s PRO 126 N -4.69 3.96 0.00 0.00 0.02 -1.26 -4.97 135.00 128.06 3jwo s PRO 126 Ca 0.56 2.42 0.00 0.00 0.02 0.00 0.00 61.00 64.00 3jwo s PRO 126 Cb -0.11 -2.84 0.00 0.00 0.02 0.00 0.00 34.50 31.58 3jwo s PRO 126 CO 0.44 -0.60 0.13 -1.13 -0.33 0.00 0.00 177.00 175.52 3jwo n SER 127 N 0.21 0.00 -4.68 2.53 3.41 -1.26 -4.79 113.62 109.04 3jwo n SER 127 Ca 0.03 0.13 -0.37 0.00 -0.26 0.00 0.00 58.87 58.40 3jwo n SER 127 Cb 0.41 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.28 3jwo n SER 127 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3jwo s SER 128 N -1.31 6.27 0.00 4.04 1.04 -1.26 -5.08 113.70 117.40 3jwo s SER 128 Ca 0.00 0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.73 3jwo s SER 128 Cb 0.00 -2.15 0.00 0.00 0.10 0.00 0.00 66.02 63.97 3jwo s SER 128 CO 0.00 0.04 0.00 2.29 0.98 0.00 0.00 173.24 176.55 3jwo n LYS 129 N 4.16 3.16 -0.58 4.02 2.85 -1.26 -4.78 118.16 125.72 3jwo n LYS 129 Ca -0.13 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 56.83 3jwo n LYS 129 Cb 0.52 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.84 3jwo n LYS 129 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 3jwo n SER 130 N 0.00 1.79 0.00 -5.58 2.88 -1.24 -1.51 113.62 109.95 3jwo n SER 130 Ca 0.00 -2.39 0.00 0.00 -1.33 0.00 0.00 58.87 55.15 3jwo n SER 130 Cb 0.00 -0.75 0.00 0.00 -0.75 0.00 0.00 64.21 62.71 3jwo n SER 130 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 3jwo n THR 131 N 5.80 0.00 0.00 2.46 -1.04 -1.26 -5.07 114.28 115.17 3jwo n THR 131 Ca 0.36 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.37 3jwo n THR 131 Cb 0.27 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.78 3jwo n THR 131 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 3jwo n SER 132 N 0.00 0.00 0.00 8.00 7.64 -0.57 -5.12 113.62 123.56 3jwo n SER 132 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3jwo n SER 132 Cb 0.12 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 3jwo n SER 132 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3jwo n GLY 133 N 4.05 2.11 0.02 0.23 0.00 -1.26 -5.07 105.19 105.27 3jwo n GLY 133 Ca 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 44.12 3jwo n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jwo n GLY 134 N 5.00 -0.31 2.83 -0.02 0.00 -1.26 -4.77 105.19 106.65 3jwo n GLY 134 Ca 0.00 -0.13 -0.14 0.00 0.00 0.00 0.00 46.02 45.75 3jwo n GLY 134 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3jwo s THR 135 N -2.31 -0.03 0.07 2.61 2.01 -1.26 -2.22 115.64 114.50 3jwo s THR 135 Ca -0.03 0.12 0.07 0.00 0.31 0.00 0.00 61.69 62.16 3jwo s THR 135 Cb 0.03 -0.06 -0.03 0.00 0.01 0.00 0.00 72.50 72.45 3jwo s THR 135 CO 0.27 0.05 -0.18 0.00 -0.69 0.00 0.00 174.62 174.07 3jwo s ALA 136 N 0.59 1.55 0.44 7.40 0.00 -0.39 -4.81 121.76 126.53 3jwo s ALA 136 Ca -0.05 -1.06 -0.10 0.00 0.00 0.00 0.00 51.96 50.75 3jwo s ALA 136 Cb -0.07 -0.24 -0.06 0.00 0.00 0.00 0.00 23.12 22.75 3jwo s ALA 136 CO -0.02 0.31 0.81 0.00 0.00 0.00 0.00 175.76 176.86 3jwo s ALA 137 N -1.00 3.32 0.22 0.00 0.00 -1.26 -2.62 121.76 120.42 3jwo s ALA 137 Ca 0.04 -0.20 -0.22 0.00 0.00 0.00 0.00 51.96 51.58 3jwo s ALA 137 Cb -0.09 -2.75 0.04 0.00 0.00 0.00 0.00 23.12 20.32 3jwo s ALA 137 CO 0.03 -0.12 0.75 -1.17 0.00 0.00 0.00 175.76 175.24 3jwo s LEU 138 N -4.07 -0.31 0.00 0.00 2.96 -1.03 -4.20 118.68 112.04 3jwo s LEU 138 Ca 0.52 -0.43 0.00 0.00 -0.22 0.00 0.00 54.13 53.99 3jwo s LEU 138 Cb -0.10 2.58 0.00 0.00 0.50 0.00 0.00 46.19 49.16 3jwo s LEU 138 CO 0.34 -1.17 0.00 0.61 -1.32 0.00 0.00 176.35 174.81 3jwo n GLY 139 N -0.44 -1.39 3.76 7.98 0.00 -1.14 -0.50 105.19 113.46 3jwo n GLY 139 Ca -0.07 -1.40 -0.24 0.00 0.00 0.00 0.00 46.02 44.31 3jwo n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jwo s LEU 141 N -3.94 0.57 -0.49 0.00 2.96 -0.92 -2.50 118.68 114.37 3jwo s LEU 141 Ca 0.42 -0.23 -0.14 0.00 -0.22 0.00 0.00 54.13 53.96 3jwo s LEU 141 Cb 0.03 -0.39 0.10 0.00 0.50 0.00 0.00 46.19 46.43 3jwo s LEU 141 CO 0.23 -0.24 0.41 -0.69 -1.32 0.00 0.00 176.35 174.74 3jwo s VAL 142 N 2.01 4.99 0.21 1.68 1.01 -1.06 -1.59 120.40 127.64 3jwo s VAL 142 Ca 0.04 -1.34 0.07 0.00 0.00 0.00 0.00 61.98 60.76 3jwo s VAL 142 Cb -0.13 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 3jwo s VAL 142 CO -0.06 -0.69 0.06 -0.75 0.00 0.00 0.00 175.10 173.66 3jwo s LYS 143 N 1.57 2.56 -0.11 2.72 2.20 -1.01 -1.97 119.74 125.70 3jwo s LYS 143 Ca 0.04 -1.13 -0.03 0.00 -0.36 0.00 0.00 55.97 54.50 3jwo s LYS 143 Cb -0.26 -2.40 0.00 0.00 -1.51 0.00 0.00 37.83 33.66 3jwo s LYS 143 CO 0.04 0.43 0.05 -0.25 -0.36 0.00 0.00 175.35 175.26 3jwo n ASP 144 N -0.52 -6.89 -3.83 1.43 8.00 -1.02 -1.50 116.55 112.22 3jwo n ASP 144 Ca -0.08 0.62 -0.09 0.00 0.71 0.00 0.00 54.79 55.95 3jwo n ASP 144 Cb 0.56 -2.56 -0.05 0.00 -0.02 0.00 0.00 41.12 39.06 3jwo n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3jwo s TYR 145 N -1.21 0.06 -0.29 1.24 -0.85 -1.12 -3.96 117.35 111.22 3jwo s TYR 145 Ca 0.03 -0.41 -0.22 0.00 -0.52 0.00 0.00 57.07 55.94 3jwo s TYR 145 Cb -0.00 0.28 0.16 0.00 0.38 0.00 0.00 41.96 42.78 3jwo s TYR 145 CO 0.25 -0.90 1.18 0.12 -1.52 0.00 0.00 175.55 174.69 3jwo s PHE 146 N -3.91 -0.31 0.00 -3.49 5.36 -1.01 -1.36 117.98 113.26 3jwo s PHE 146 Ca 0.13 0.69 0.00 0.00 -0.96 0.00 0.00 56.93 56.79 3jwo s PHE 146 Cb -0.00 0.36 0.00 0.00 -0.34 0.00 0.00 43.02 43.03 3jwo s PHE 146 CO -0.00 -0.15 0.00 -2.30 -1.46 0.00 0.00 175.22 171.31 3jwo n PRO 147 N 2.41 2.71 -1.63 10.12 -0.02 -1.26 -0.92 135.00 146.42 3jwo n PRO 147 Ca -0.14 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.05 3jwo n PRO 147 Cb 0.57 0.00 0.09 0.00 -0.02 0.00 0.00 33.50 34.13 3jwo n PRO 147 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3jwo s GLU 148 N 2.43 2.12 0.25 -0.52 0.41 -1.26 -4.82 118.70 117.30 3jwo s GLU 148 Ca 0.00 0.55 0.01 0.00 -0.41 0.00 0.00 54.97 55.12 3jwo s GLU 148 Cb 0.00 -1.93 0.05 0.00 -1.78 0.00 0.00 34.13 30.47 3jwo s GLU 148 CO 0.00 -1.58 0.35 -0.35 -0.49 0.00 0.00 175.26 173.19 3jwo n PRO 149 N -3.39 0.51 -3.45 0.39 -0.05 -1.26 -4.85 135.00 122.91 3jwo n PRO 149 Ca 0.07 -1.06 -0.00 0.00 -0.05 0.00 0.00 63.50 62.46 3jwo n PRO 149 Cb 0.57 -0.20 -0.04 0.00 -0.05 0.00 0.00 33.50 33.79 3jwo n PRO 149 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 175.50 175.99 3jwo s VAL 150 N -0.79 -0.95 -0.13 0.52 0.11 -1.26 -4.28 120.40 113.62 3jwo s VAL 150 Ca 0.24 0.01 -0.09 0.00 -2.93 0.00 0.00 61.98 59.21 3jwo s VAL 150 Cb -0.02 -0.96 -0.04 0.00 -1.53 0.00 0.00 36.38 33.83 3jwo s VAL 150 CO 0.16 -0.00 0.17 0.42 -3.33 0.00 0.00 175.10 172.52 3jwo s THR 151 N 2.84 5.44 -0.05 5.04 -4.23 -1.11 -4.91 115.64 118.65 3jwo s THR 151 Ca 0.05 0.28 0.04 0.00 -1.18 0.00 0.00 61.69 60.88 3jwo s THR 151 Cb -0.13 -3.45 0.00 0.00 1.34 0.00 0.00 72.50 70.26 3jwo s THR 151 CO -0.19 0.57 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.61 3jwo s VAL 152 N -0.68 1.34 0.22 2.29 1.01 -1.26 -1.80 120.40 121.53 3jwo s VAL 152 Ca 0.14 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.50 3jwo s VAL 152 Cb -0.12 -1.17 -0.01 0.00 0.00 0.00 0.00 36.38 35.08 3jwo s VAL 152 CO 0.04 0.39 0.06 -1.54 0.00 0.00 0.00 175.10 174.05 3jwo n SER 153 N 3.35 1.48 -3.72 3.32 3.41 -0.43 -4.94 113.62 116.09 3jwo n SER 153 Ca -0.19 -2.13 -0.16 0.00 -0.26 0.00 0.00 58.87 56.12 3jwo n SER 153 Cb 0.53 0.45 -0.16 0.00 -0.26 0.00 0.00 64.21 64.77 3jwo n SER 153 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 3jwo s TRP 154 N -2.24 -0.05 -1.33 7.33 0.52 -1.26 -0.80 118.94 121.11 3jwo s TRP 154 Ca 0.08 0.34 -0.08 0.00 0.02 0.00 0.00 56.10 56.46 3jwo s TRP 154 Cb 0.00 -0.27 0.01 0.00 -1.15 0.00 0.00 33.47 32.06 3jwo s TRP 154 CO 0.06 -0.17 1.16 0.09 0.02 0.00 0.00 176.95 178.11 3jwo n ASN 155 N 4.72 -6.10 -2.08 2.95 4.13 0.16 -1.70 115.26 117.35 3jwo n ASN 155 Ca -0.16 -0.54 -0.19 0.00 1.68 0.00 0.00 54.58 55.37 3jwo n ASN 155 Cb 0.50 -4.98 -0.02 0.00 -1.54 0.00 0.00 39.78 33.75 3jwo n ASN 155 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3jwo n SER 156 N -2.96 -5.45 0.00 6.41 7.64 -1.26 -2.17 113.62 115.83 3jwo n SER 156 Ca -0.01 0.04 0.00 0.00 1.01 0.00 0.00 58.87 59.91 3jwo n SER 156 Cb 0.57 -4.51 0.00 0.00 -1.01 0.00 0.00 64.21 59.26 3jwo n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3jwo n GLY 157 N -0.97 0.79 0.11 0.23 0.00 -1.03 -4.99 105.19 99.33 3jwo n GLY 157 Ca -0.22 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.61 3jwo n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jwo h ALA 158 N 0.00 0.07 -2.08 4.61 0.00 -1.03 -3.42 119.26 117.40 3jwo h ALA 158 Ca 0.00 -0.85 -0.71 0.00 0.00 0.00 0.00 54.91 53.34 3jwo h ALA 158 Cb 0.00 0.29 -0.20 0.00 0.00 0.00 0.00 17.79 17.88 3jwo h ALA 158 CO 0.00 0.49 0.38 -1.17 0.00 0.00 0.00 179.25 178.94 3jwo s LEU 159 N -7.84 5.50 -0.31 0.00 2.96 -0.69 -4.83 118.68 113.46 3jwo s LEU 159 Ca -0.19 -1.87 0.08 0.00 -0.22 0.00 0.00 54.13 51.94 3jwo s LEU 159 Cb 0.02 -2.32 0.46 0.00 0.50 0.00 0.00 46.19 44.84 3jwo s LEU 159 CO 0.74 -1.01 1.16 0.35 -1.32 0.00 0.00 176.35 176.28 3jwo n THR 160 N 5.23 2.35 -3.88 3.68 -2.24 -1.26 -4.26 114.28 113.90 3jwo n THR 160 Ca 0.07 -4.20 -0.29 0.00 -2.27 0.00 0.00 64.05 57.36 3jwo n THR 160 Cb 0.46 -0.89 -0.16 0.00 -2.10 0.00 0.00 70.33 67.63 3jwo n THR 160 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3jwo s SER 161 N -3.60 3.23 0.00 3.42 0.15 -1.26 -4.65 113.70 110.99 3jwo s SER 161 Ca 0.48 -0.89 0.00 0.00 0.70 0.00 0.00 55.95 56.24 3jwo s SER 161 Cb 0.40 -0.94 0.00 0.00 -1.71 0.00 0.00 66.02 63.77 3jwo s SER 161 CO -0.01 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.81 3jwo n GLY 162 N 4.84 0.75 3.71 9.45 0.00 -1.26 -4.68 105.19 117.99 3jwo n GLY 162 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 3jwo n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jwo s VAL 163 N -2.38 4.20 -0.42 1.61 1.01 -1.26 -3.27 120.40 119.89 3jwo s VAL 163 Ca 0.00 1.57 0.02 0.00 0.00 0.00 0.00 61.98 63.57 3jwo s VAL 163 Cb 0.00 -4.01 0.14 0.00 0.00 0.00 0.00 36.38 32.51 3jwo s VAL 163 CO 0.00 0.10 0.24 -1.00 0.00 0.00 0.00 175.10 174.44 3jwo s HIS 164 N 1.25 1.62 -0.71 5.22 3.76 -0.56 -5.00 115.29 120.86 3jwo s HIS 164 Ca 0.57 -2.21 -0.23 0.00 -0.15 0.00 0.00 55.06 53.04 3jwo s HIS 164 Cb -0.27 -1.59 0.06 0.00 1.11 0.00 0.00 32.58 31.89 3jwo s HIS 164 CO 0.28 -0.79 1.07 0.99 -0.85 0.00 0.00 174.74 175.44 3jwo s THR 165 N 0.51 4.20 0.66 1.30 2.01 -1.26 -2.83 115.64 120.23 3jwo s THR 165 Ca 0.18 -0.29 -0.17 0.00 0.31 0.00 0.00 61.69 61.72 3jwo s THR 165 Cb -0.22 -4.76 -0.00 0.00 0.01 0.00 0.00 72.50 67.52 3jwo s THR 165 CO -0.01 -1.58 1.21 -0.36 -0.69 0.00 0.00 174.62 173.19 3jwo s PHE 166 N 4.39 2.24 0.63 4.92 0.40 -1.05 -4.98 117.98 124.53 3jwo s PHE 166 Ca 0.27 1.55 -0.17 0.00 -0.60 0.00 0.00 56.93 57.98 3jwo s PHE 166 Cb -0.13 -3.47 -0.01 0.00 0.51 0.00 0.00 43.02 39.91 3jwo s PHE 166 CO 0.09 -2.40 1.17 -2.14 0.70 0.00 0.00 175.22 172.63 3jwo s PRO 167 N -3.63 2.79 0.80 0.24 0.02 -1.26 -4.37 135.00 129.60 3jwo s PRO 167 Ca 0.76 1.66 -0.11 0.00 0.02 0.00 0.00 61.00 63.33 3jwo s PRO 167 Cb -0.30 -1.92 0.07 0.00 0.02 0.00 0.00 34.50 32.37 3jwo s PRO 167 CO 0.39 -1.31 1.09 0.00 -0.33 0.00 0.00 177.00 176.84 3jwo s ALA 168 N -1.91 2.08 -0.01 -1.55 0.00 -1.26 -4.72 121.76 114.39 3jwo s ALA 168 Ca 0.73 0.09 0.03 0.00 0.00 0.00 0.00 51.96 52.80 3jwo s ALA 168 Cb -0.26 -3.22 -0.01 0.00 0.00 0.00 0.00 23.12 19.63 3jwo s ALA 168 CO 0.37 -1.88 -0.09 0.14 0.00 0.00 0.00 175.76 174.30 3jwo s VAL 169 N -2.96 0.68 -0.04 0.00 -7.23 -1.25 -4.91 120.40 104.69 3jwo s VAL 169 Ca 0.61 -0.37 -0.22 0.00 -1.81 0.00 0.00 61.98 60.20 3jwo s VAL 169 Cb -0.17 -0.57 -0.04 0.00 0.56 0.00 0.00 36.38 36.16 3jwo s VAL 169 CO 0.56 0.19 0.65 -0.22 -0.31 0.00 0.00 175.10 175.97 3jwo s LEU 170 N -0.20 4.35 0.00 1.32 0.20 -1.26 -2.09 118.68 121.00 3jwo s LEU 170 Ca 0.03 1.16 0.01 0.00 0.69 0.00 0.00 54.13 56.02 3jwo s LEU 170 Cb -0.03 -3.00 0.11 0.00 -0.43 0.00 0.00 46.19 42.84 3jwo s LEU 170 CO -0.00 -0.02 0.81 0.00 -0.29 0.00 0.00 176.35 176.84 3jwo n GLN 171 N 3.36 0.10 0.08 1.98 6.02 -1.17 -4.96 117.38 122.79 3jwo n GLN 171 Ca -0.04 -2.29 0.11 0.00 -0.01 0.00 0.00 57.00 54.77 3jwo n GLN 171 Cb 0.51 -0.50 0.44 0.00 1.02 0.00 0.00 30.24 31.71 3jwo n GLN 171 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3jwo n SER 172 N -2.86 0.46 0.09 1.08 3.41 -1.26 -2.75 113.62 111.79 3jwo n SER 172 Ca 0.14 0.60 0.11 0.00 -0.26 0.00 0.00 58.87 59.46 3jwo n SER 172 Cb 0.49 -0.70 -0.03 0.00 -0.26 0.00 0.00 64.21 63.71 3jwo n SER 172 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3jwo n SER 173 N -2.00 0.72 0.00 4.04 3.41 -1.26 -4.97 113.62 113.56 3jwo n SER 173 Ca 0.03 0.28 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 3jwo n SER 173 Cb 0.24 0.68 0.00 0.00 -0.26 0.00 0.00 64.21 64.86 3jwo n SER 173 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3jwo n GLY 174 N 1.20 1.20 3.02 5.00 0.00 -1.11 -4.83 105.19 109.67 3jwo n GLY 174 Ca -0.01 -0.28 -0.25 0.00 0.00 0.00 0.00 46.02 45.48 3jwo n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jwo s LEU 175 N 0.00 1.62 1.03 0.99 1.43 -1.26 -4.67 118.68 117.82 3jwo s LEU 175 Ca 0.00 -0.30 -0.12 0.00 -1.03 0.00 0.00 54.13 52.67 3jwo s LEU 175 Cb 0.00 -0.84 0.20 0.00 0.03 0.00 0.00 46.19 45.59 3jwo s LEU 175 CO 0.00 0.02 1.08 -0.31 0.23 0.00 0.00 176.35 177.37 3jwo s TYR 176 N 0.73 1.92 -0.34 0.29 4.12 -0.46 -3.05 117.35 120.56 3jwo s TYR 176 Ca -0.13 1.11 -0.04 0.00 0.02 0.00 0.00 57.07 58.02 3jwo s TYR 176 Cb -0.16 -3.20 0.19 0.00 -1.52 0.00 0.00 41.96 37.27 3jwo s TYR 176 CO 0.03 -3.08 0.91 0.45 0.02 0.00 0.00 175.55 173.88 3jwo s SER 177 N -3.18 -0.74 0.29 2.29 0.15 -0.89 -2.44 113.70 109.18 3jwo s SER 177 Ca 0.66 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 57.07 3jwo s SER 177 Cb -0.20 1.09 0.00 0.00 -1.71 0.00 0.00 66.02 65.20 3jwo s SER 177 CO 0.59 -0.10 0.03 0.00 1.20 0.00 0.00 173.24 174.96 3jwo n LEU 178 N 4.30 0.00 -3.59 3.45 -0.00 -0.83 -3.80 117.00 116.52 3jwo n LEU 178 Ca 0.08 -0.06 -0.02 0.00 -0.00 0.00 0.00 56.01 56.00 3jwo n LEU 178 Cb 0.60 -0.02 -0.05 0.00 -0.00 0.00 0.00 43.42 43.95 3jwo n LEU 178 CO -0.09 -0.51 0.43 -0.94 -0.00 0.00 0.00 177.39 176.28 3jwo s SER 179 N -1.11 -0.86 -0.06 1.45 1.04 -1.26 -2.57 113.70 110.33 3jwo s SER 179 Ca 0.02 1.25 -0.04 0.00 0.48 0.00 0.00 55.95 57.66 3jwo s SER 179 Cb -0.00 1.74 -0.04 0.00 0.10 0.00 0.00 66.02 67.82 3jwo s SER 179 CO 0.01 -0.18 0.14 -0.55 0.98 0.00 0.00 173.24 173.64 3jwo s SER 180 N 2.21 6.22 0.27 7.02 0.15 -1.04 -2.54 113.70 126.00 3jwo s SER 180 Ca -0.07 0.36 0.03 0.00 0.70 0.00 0.00 55.95 56.97 3jwo s SER 180 Cb -0.07 -1.95 -0.04 0.00 -1.71 0.00 0.00 66.02 62.25 3jwo s SER 180 CO -0.18 0.33 0.18 0.68 1.20 0.00 0.00 173.24 175.45 3jwo s VAL 181 N -1.16 0.11 -0.28 4.45 -7.23 -1.13 -0.27 120.40 114.88 3jwo s VAL 181 Ca 0.21 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 58.17 3jwo s VAL 181 Cb -0.12 -2.51 0.12 0.00 0.56 0.00 0.00 36.38 34.43 3jwo s VAL 181 CO 0.11 0.00 0.93 0.54 -0.31 0.00 0.00 175.10 176.37 3jwo s VAL 182 N -3.77 0.00 -0.07 1.32 0.11 0.35 -1.49 120.40 116.85 3jwo s VAL 182 Ca 0.39 0.00 -0.13 0.00 -2.93 0.00 0.00 61.98 59.31 3jwo s VAL 182 Cb 0.05 -1.00 -0.05 0.00 -1.53 0.00 0.00 36.38 33.85 3jwo s VAL 182 CO 0.18 0.00 0.31 0.42 -3.33 0.00 0.00 175.10 172.69 3jwo s THR 183 N 0.81 5.22 0.16 5.04 -4.23 -1.20 -2.45 115.64 118.97 3jwo s THR 183 Ca -0.03 0.62 -0.07 0.00 -1.18 0.00 0.00 61.69 61.03 3jwo s THR 183 Cb -0.05 -3.62 -0.02 0.00 1.34 0.00 0.00 72.50 70.16 3jwo s THR 183 CO -0.10 0.55 0.23 0.68 -0.54 0.00 0.00 174.62 175.43 3jwo s VAL 184 N -0.71 0.08 0.21 2.29 -7.23 -1.08 -4.75 120.40 109.21 3jwo s VAL 184 Ca 0.20 -1.51 -0.32 0.00 -1.81 0.00 0.00 61.98 58.54 3jwo s VAL 184 Cb -0.15 -1.89 -0.12 0.00 0.56 0.00 0.00 36.38 34.79 3jwo s VAL 184 CO 0.09 -0.34 1.71 -2.65 -0.31 0.00 0.00 175.10 173.60 3jwo n PRO 185 N -0.18 2.75 0.00 4.82 -0.02 -1.26 -1.26 135.00 139.84 3jwo n PRO 185 Ca -0.07 0.99 0.09 0.00 -2.02 0.00 0.00 63.50 62.49 3jwo n PRO 185 Cb 0.63 -2.83 0.55 0.00 -0.02 0.00 0.00 33.50 31.83 3jwo n PRO 185 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3jwo n SER 186 N 3.88 0.00 -0.03 2.55 3.41 -0.94 -2.44 113.62 120.05 3jwo n SER 186 Ca 0.16 -0.55 -0.11 0.00 -0.26 0.00 0.00 58.87 58.11 3jwo n SER 186 Cb 0.35 -0.02 -0.14 0.00 -0.26 0.00 0.00 64.21 64.14 3jwo n SER 186 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3jwo n SER 187 N -1.02 1.04 -0.86 4.04 3.41 -1.26 -3.71 113.62 115.26 3jwo n SER 187 Ca 0.14 0.32 0.04 0.00 -0.26 0.00 0.00 58.87 59.12 3jwo n SER 187 Cb 0.07 -0.11 0.17 0.00 -0.26 0.00 0.00 64.21 64.08 3jwo n SER 187 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3jwo n SER 188 N -3.10 2.44 -0.03 4.04 3.41 -1.02 -4.11 113.62 115.25 3jwo n SER 188 Ca -0.22 -2.19 -0.16 0.00 -0.26 0.00 0.00 58.87 56.04 3jwo n SER 188 Cb 1.06 -0.39 -0.08 0.00 -0.26 0.00 0.00 64.21 64.55 3jwo n SER 188 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3jwo h LEU 189 N 1.94 0.76 -1.58 1.04 3.38 -1.71 -2.07 115.31 117.08 3jwo h LEU 189 Ca 0.00 -0.63 -0.02 0.00 0.09 0.00 0.00 57.88 57.33 3jwo h LEU 189 Cb 0.78 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 3jwo h LEU 189 CO 0.10 1.26 -0.09 1.23 0.09 0.00 0.00 178.44 181.03 3jwo h GLY 190 N 0.31 0.00 0.00 0.83 0.00 -1.87 -3.34 103.07 99.01 3jwo h GLY 190 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.00 3jwo h GLY 190 CO 0.12 0.00 -1.97 -1.30 0.00 0.00 0.00 176.54 173.39 3jwo n THR 191 N -3.29 1.05 -2.46 4.70 -2.24 -1.24 -5.01 114.28 105.79 3jwo n THR 191 Ca -0.00 -0.23 -0.40 0.00 -2.27 0.00 0.00 64.05 61.14 3jwo n THR 191 Cb 0.31 -1.77 -0.04 0.00 -2.10 0.00 0.00 70.33 66.72 3jwo n THR 191 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3jwo s GLN 192 N -2.36 4.61 -0.19 -0.78 2.00 -0.78 -5.04 119.66 117.13 3jwo s GLN 192 Ca -0.26 1.81 -0.04 0.00 -2.00 0.00 0.00 55.36 54.88 3jwo s GLN 192 Cb 0.10 -3.20 -0.02 0.00 0.80 0.00 0.00 33.01 30.69 3jwo s GLN 192 CO 0.33 0.16 -0.03 0.99 -0.50 0.00 0.00 175.29 176.23 3jwo s THR 193 N -0.95 3.64 -0.25 -0.34 2.01 -1.26 -4.76 115.64 113.72 3jwo s THR 193 Ca 0.46 -0.42 -0.08 0.00 0.31 0.00 0.00 61.69 61.95 3jwo s THR 193 Cb -0.32 -2.63 -0.04 0.00 0.01 0.00 0.00 72.50 69.52 3jwo s THR 193 CO 0.40 0.44 0.11 -0.31 -0.69 0.00 0.00 174.62 174.57 3jwo s TYR 194 N 1.03 3.15 -0.14 4.92 2.02 -1.26 -5.01 117.35 122.06 3jwo s TYR 194 Ca 0.01 -0.19 0.02 0.00 -0.37 0.00 0.00 57.07 56.54 3jwo s TYR 194 Cb -0.15 -2.26 0.01 0.00 -0.40 0.00 0.00 41.96 39.16 3jwo s TYR 194 CO 0.01 -0.23 -0.21 0.42 -1.57 0.00 0.00 175.55 173.96 3jwo s ILE 195 N 1.50 1.99 -0.11 2.71 -1.09 -1.26 -3.01 121.20 121.94 3jwo s ILE 195 Ca 0.06 -0.94 -0.08 0.00 -2.23 0.00 0.00 60.65 57.46 3jwo s ILE 195 Cb -0.15 -1.76 -0.04 0.00 -1.58 0.00 0.00 42.46 38.92 3jwo s ILE 195 CO 0.05 0.54 0.17 0.00 -1.23 0.00 0.00 174.94 174.47 3jwo s ASN 197 N -1.00 5.29 0.28 0.00 -0.87 0.02 -2.70 114.94 115.97 3jwo s ASN 197 Ca 0.16 -1.16 -0.01 0.00 -1.57 0.00 0.00 52.86 50.28 3jwo s ASN 197 Cb -0.13 -1.86 -0.04 0.00 -0.02 0.00 0.00 41.25 39.20 3jwo s ASN 197 CO 0.05 -0.33 0.48 -0.69 -2.57 0.00 0.00 177.10 174.05 3jwo s VAL 198 N 1.39 5.13 -0.31 1.60 1.01 -0.03 -1.31 120.40 127.87 3jwo s VAL 198 Ca -0.02 -0.33 0.04 0.00 0.00 0.00 0.00 61.98 61.67 3jwo s VAL 198 Cb -0.20 -3.79 0.17 0.00 0.00 0.00 0.00 36.38 32.57 3jwo s VAL 198 CO 0.03 -0.35 0.48 0.21 0.00 0.00 0.00 175.10 175.46 3jwo s ASN 199 N -3.52 -0.27 -1.05 3.32 3.84 -0.74 -2.89 114.94 113.63 3jwo s ASN 199 Ca 0.40 -0.43 -0.14 0.00 0.21 0.00 0.00 52.86 52.89 3jwo s ASN 199 Cb -0.10 1.38 0.19 0.00 -0.55 0.00 0.00 41.25 42.17 3jwo s ASN 199 CO 0.32 -0.31 1.18 -2.28 -2.79 0.00 0.00 177.10 173.22 3jwo s HIS 200 N 2.40 3.57 0.33 0.43 5.65 -0.34 -2.77 115.29 124.56 3jwo s HIS 200 Ca 0.11 -1.99 0.09 0.00 0.25 0.00 0.00 55.06 53.53 3jwo s HIS 200 Cb -0.11 -4.14 0.84 0.00 -1.18 0.00 0.00 32.58 27.99 3jwo s HIS 200 CO -0.23 -1.28 1.78 0.87 -0.65 0.00 0.00 174.74 175.22 3jwo h LYS 201 N 7.67 0.64 0.19 2.88 1.57 -1.79 -1.04 116.57 126.69 3jwo h LYS 201 Ca 0.21 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.96 3jwo h LYS 201 Cb 0.94 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 33.07 3jwo h LYS 201 CO 1.09 0.42 -0.52 -1.35 -0.57 0.00 0.00 179.45 178.52 3jwo h PRO 202 N 0.65 -0.77 -0.67 3.15 0.11 -1.88 -2.38 132.00 130.21 3jwo h PRO 202 Ca 0.58 0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.74 3jwo h PRO 202 Cb 1.05 0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3jwo h PRO 202 CO -0.36 -0.51 0.00 -1.13 -0.21 0.00 0.00 178.00 175.79 3jwo n SER 203 N -5.50 3.02 -2.43 -2.05 3.41 -1.02 -4.89 113.62 104.16 3jwo n SER 203 Ca -0.09 -2.34 -0.16 0.00 -0.26 0.00 0.00 58.87 56.02 3jwo n SER 203 Cb 0.42 -0.50 -0.01 0.00 -0.26 0.00 0.00 64.21 63.87 3jwo n SER 203 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3jwo n ASN 204 N 0.40 -4.77 -4.80 4.04 3.02 -0.56 -4.91 115.26 107.69 3jwo n ASN 204 Ca 0.14 0.10 -0.39 0.00 -0.03 0.00 0.00 54.58 54.40 3jwo n ASN 204 Cb 0.62 -4.01 -0.06 0.00 -0.61 0.00 0.00 39.78 35.72 3jwo n ASN 204 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3jwo s THR 205 N -2.80 4.76 -0.19 3.41 2.01 -0.50 -4.96 115.64 117.36 3jwo s THR 205 Ca 0.00 1.25 -0.02 0.00 0.31 0.00 0.00 61.69 63.23 3jwo s THR 205 Cb -0.00 -3.92 0.06 0.00 0.01 0.00 0.00 72.50 68.65 3jwo s THR 205 CO 0.00 0.52 0.02 -0.54 -0.69 0.00 0.00 174.62 173.94 3jwo s LYS 206 N -0.89 0.76 -0.07 4.92 1.02 -1.26 -1.20 119.74 123.03 3jwo s LYS 206 Ca 0.30 -0.46 0.02 0.00 0.02 0.00 0.00 55.97 55.85 3jwo s LYS 206 Cb -0.19 -2.12 0.02 0.00 -0.52 0.00 0.00 37.83 35.01 3jwo s LYS 206 CO 0.19 -0.62 -0.11 0.08 -0.92 0.00 0.00 175.35 173.97 3jwo s VAL 207 N 1.81 1.03 0.17 3.17 1.01 -1.14 -5.01 120.40 121.44 3jwo s VAL 207 Ca -0.01 -0.41 0.07 0.00 0.00 0.00 0.00 61.98 61.63 3jwo s VAL 207 Cb -0.17 -0.96 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 3jwo s VAL 207 CO -0.08 0.33 0.04 -1.81 0.00 0.00 0.00 175.10 173.58 3jwo s ASP 208 N 0.78 4.97 -0.08 3.32 1.01 -1.26 -0.85 116.67 124.56 3jwo s ASP 208 Ca -0.13 -0.33 -0.14 0.00 0.71 0.00 0.00 52.55 52.66 3jwo s ASP 208 Cb -0.15 -1.13 0.03 0.00 1.01 0.00 0.00 42.92 42.68 3jwo s ASP 208 CO 0.02 0.08 0.36 -0.75 0.21 0.00 0.00 175.17 175.09 3jwo s LYS 209 N -2.99 0.56 0.13 8.23 2.47 -1.10 -5.00 119.74 122.04 3jwo s LYS 209 Ca 0.28 0.21 0.05 0.00 -1.56 0.00 0.00 55.97 54.95 3jwo s LYS 209 Cb -0.09 0.26 -0.04 0.00 -1.46 0.00 0.00 37.83 36.49 3jwo s LYS 209 CO 0.20 -0.12 0.07 0.21 0.16 0.00 0.00 175.35 175.88 3jwo s LYS 210 N -0.50 2.76 0.08 4.03 2.20 -1.26 -2.30 119.74 124.75 3jwo s LYS 210 Ca -0.06 -0.84 0.07 0.00 -0.36 0.00 0.00 55.97 54.78 3jwo s LYS 210 Cb -0.04 -2.61 -0.03 0.00 -1.51 0.00 0.00 37.83 33.64 3jwo s LYS 210 CO 0.02 0.52 -0.18 0.08 -0.36 0.00 0.00 175.35 175.43 3jwo s VAL 211 N -1.56 1.48 -0.25 4.02 1.01 -1.16 -4.92 120.40 119.01 3jwo s VAL 211 Ca 0.29 -1.40 -0.16 0.00 0.00 0.00 0.00 61.98 60.72 3jwo s VAL 211 Cb -0.11 -1.36 0.07 0.00 0.00 0.00 0.00 36.38 34.99 3jwo s VAL 211 CO 0.21 -0.08 0.63 -1.83 0.00 0.00 0.00 175.10 174.03 3jwo s GLU 212 N -1.73 0.66 -0.28 2.72 -1.05 -1.26 -4.55 118.70 113.21 3jwo s GLU 212 Ca 0.04 1.10 0.12 0.00 -0.15 0.00 0.00 54.97 56.08 3jwo s GLU 212 Cb -0.10 0.14 0.79 0.00 -0.44 0.00 0.00 34.13 34.52 3jwo s GLU 212 CO 0.03 -0.14 1.78 -0.35 0.95 0.00 0.00 175.26 177.52 3jwo n PRO 213 N 4.08 4.39 0.00 -4.83 -0.05 -1.26 -4.77 135.00 132.55 3jwo n PRO 213 Ca -0.20 -3.14 0.00 0.00 -0.05 0.00 0.00 63.50 60.11 3jwo n PRO 213 Cb 0.58 -2.25 0.00 0.00 -0.05 0.00 0.00 33.50 31.78 3jwo n PRO 213 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 175.50 177.08