#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cw4 s ALA 3 N 0.00 3.53 -0.02 4.31 0.00 -1.26 -0.63 121.76 127.69 2cw4 s ALA 3 Ca 0.00 -0.23 -0.19 0.00 0.00 0.00 0.00 51.96 51.54 2cw4 s ALA 3 Cb 0.00 -2.57 -0.05 0.00 0.00 0.00 0.00 23.12 20.50 2cw4 s ALA 3 CO 0.00 0.10 0.53 0.08 0.00 0.00 0.00 175.76 176.46 2cw4 s VAL 4 N 0.31 4.97 -0.05 0.00 1.01 0.21 -4.97 120.40 121.87 2cw4 s VAL 4 Ca 0.24 1.09 -0.02 0.00 0.00 0.00 0.00 61.98 63.29 2cw4 s VAL 4 Cb -0.15 -3.86 0.04 0.00 0.00 0.00 0.00 36.38 32.41 2cw4 s VAL 4 CO 0.10 0.45 0.10 -0.75 0.00 0.00 0.00 175.10 175.00 2cw4 s LYS 5 N -0.33 0.01 0.01 2.72 2.20 -1.26 -3.42 119.74 119.66 2cw4 s LYS 5 Ca 0.28 0.36 -0.03 0.00 -0.36 0.00 0.00 55.97 56.22 2cw4 s LYS 5 Cb -0.17 -0.28 -0.01 0.00 -1.51 0.00 0.00 37.83 35.85 2cw4 s LYS 5 CO 0.15 -0.23 0.04 -0.08 -0.36 0.00 0.00 175.35 174.87 2cw4 s THR 6 N 1.58 0.09 -1.88 3.43 -1.32 -1.26 -5.03 115.64 111.25 2cw4 s THR 6 Ca -0.04 -0.71 0.17 0.00 -1.21 0.00 0.00 61.69 59.90 2cw4 s THR 6 Cb -0.12 -0.30 0.51 0.00 -1.51 0.00 0.00 72.50 71.08 2cw4 s THR 6 CO -0.04 -0.39 1.42 -0.90 -2.21 0.00 0.00 174.62 172.50 2cw4 n ASP 7 N 1.75 3.17 -1.01 8.08 3.85 -1.26 -3.82 116.55 127.31 2cw4 n ASP 7 Ca -0.22 -2.06 0.10 0.00 -0.71 0.00 0.00 54.79 51.91 2cw4 n ASP 7 Cb 0.56 -0.40 0.27 0.00 -1.35 0.00 0.00 41.12 40.19 2cw4 n ASP 7 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 2cw4 n ARG 8 N 1.11 2.29 -3.88 0.11 1.74 -1.26 -4.82 116.66 111.94 2cw4 n ARG 8 Ca 0.19 -1.97 -0.11 0.00 -0.77 0.00 0.00 57.85 55.19 2cw4 n ARG 8 Cb 0.52 -1.46 -0.10 0.00 -1.02 0.00 0.00 32.46 30.40 2cw4 n ARG 8 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2cw4 s ALA 9 N -1.41 -0.26 0.24 7.54 0.00 -1.25 -4.73 121.76 121.88 2cw4 s ALA 9 Ca 0.38 -0.23 -0.31 0.00 0.00 0.00 0.00 51.96 51.80 2cw4 s ALA 9 Cb 0.21 0.14 -0.14 0.00 0.00 0.00 0.00 23.12 23.32 2cw4 s ALA 9 CO 0.28 -0.23 1.17 -0.35 0.00 0.00 0.00 175.76 176.63 2cw4 n PRO 10 N 1.31 1.46 -1.74 0.00 -0.04 -1.26 -4.74 135.00 130.00 2cw4 n PRO 10 Ca -0.22 0.52 -0.35 0.00 -0.04 0.00 0.00 63.50 63.41 2cw4 n PRO 10 Cb 0.56 -2.01 0.06 0.00 -0.04 0.00 0.00 33.50 32.07 2cw4 n PRO 10 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2cw4 s ALA 11 N -0.51 2.36 -0.52 0.55 0.00 -1.26 -4.94 121.76 117.45 2cw4 s ALA 11 Ca 0.66 0.89 -0.27 0.00 0.00 0.00 0.00 51.96 53.24 2cw4 s ALA 11 Cb -0.74 -3.44 0.03 0.00 0.00 0.00 0.00 23.12 18.97 2cw4 s ALA 11 CO 0.55 -1.47 1.07 0.00 0.00 0.00 0.00 175.76 175.91 2cw4 s ALA 12 N -1.86 3.13 -0.04 0.00 0.00 -1.26 -4.89 121.76 116.84 2cw4 s ALA 12 Ca 0.75 -0.77 0.13 0.00 0.00 0.00 0.00 51.96 52.06 2cw4 s ALA 12 Cb -0.28 -3.85 -0.17 0.00 0.00 0.00 0.00 23.12 18.81 2cw4 s ALA 12 CO 0.39 -2.35 0.93 0.82 0.00 0.00 0.00 175.76 175.55 2cw4 h ILE 13 N 6.14 0.96 -2.68 0.00 2.04 -1.92 -3.48 117.51 118.58 2cw4 h ILE 13 Ca -0.24 -2.64 0.00 0.00 1.00 0.00 0.00 64.86 62.97 2cw4 h ILE 13 Cb 1.06 2.42 0.00 0.00 -0.74 0.00 0.00 36.82 39.57 2cw4 h ILE 13 CO 1.11 0.55 0.00 0.61 0.00 0.00 0.00 178.15 180.42 2cw4 n GLY 14 N 1.43 1.86 2.08 5.37 0.00 -1.26 -4.96 105.19 109.70 2cw4 n GLY 14 Ca -0.09 -2.01 -0.11 0.00 0.00 0.00 0.00 46.02 43.81 2cw4 n GLY 14 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cw4 n PRO 15 N 0.00 1.77 -3.73 1.61 -0.04 -1.26 -4.80 135.00 128.55 2cw4 n PRO 15 Ca 0.00 -0.90 -0.10 0.00 -0.04 0.00 0.00 63.50 62.46 2cw4 n PRO 15 Cb 0.00 -1.95 -0.06 0.00 -0.04 0.00 0.00 33.50 31.45 2cw4 n PRO 15 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2cw4 s TYR 16 N 1.31 -0.05 0.06 0.54 -0.85 -1.26 -5.17 117.35 111.93 2cw4 s TYR 16 Ca 0.58 -0.31 0.07 0.00 -0.52 0.00 0.00 57.07 56.89 2cw4 s TYR 16 Cb 0.27 0.14 -0.03 0.00 0.38 0.00 0.00 41.96 42.72 2cw4 s TYR 16 CO -0.00 -0.65 -0.17 0.00 -1.52 0.00 0.00 175.55 173.21 2cw4 s ALA 17 N -3.83 2.66 0.28 9.51 0.00 -1.26 -4.77 121.76 124.35 2cw4 s ALA 17 Ca 0.04 -1.22 0.03 0.00 0.00 0.00 0.00 51.96 50.81 2cw4 s ALA 17 Cb 0.03 -0.75 0.68 0.00 0.00 0.00 0.00 23.12 23.08 2cw4 s ALA 17 CO -0.11 0.58 1.72 1.96 0.00 0.00 0.00 175.76 179.91 2cw4 h GLN 18 N 4.31 0.46 -3.31 0.00 4.20 -1.94 -3.40 115.11 115.43 2cw4 h GLN 18 Ca -0.48 -0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.15 2cw4 h GLN 18 Cb 1.16 -0.10 -0.13 0.00 0.30 0.00 0.00 27.48 28.70 2cw4 h GLN 18 CO 0.48 0.31 -0.04 0.00 -0.67 0.00 0.00 178.83 178.91 2cw4 s ALA 19 N -5.91 -1.03 -0.04 3.87 0.00 -1.22 -0.73 121.76 116.70 2cw4 s ALA 19 Ca -0.12 0.06 0.01 0.00 0.00 0.00 0.00 51.96 51.91 2cw4 s ALA 19 Cb 0.24 0.69 0.02 0.00 0.00 0.00 0.00 23.12 24.08 2cw4 s ALA 19 CO 0.78 -0.64 -0.03 0.08 0.00 0.00 0.00 175.76 175.94 2cw4 s VAL 20 N -3.69 0.44 -0.27 0.00 1.01 -0.04 0.64 120.40 118.49 2cw4 s VAL 20 Ca 0.02 -0.07 -0.09 0.00 0.00 0.00 0.00 61.98 61.83 2cw4 s VAL 20 Cb 0.01 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.88 2cw4 s VAL 20 CO -0.11 0.20 0.14 -0.54 0.00 0.00 0.00 175.10 174.78 2cw4 s LYS 21 N 0.89 3.82 -0.19 2.72 1.02 0.19 0.37 119.74 128.55 2cw4 s LYS 21 Ca -0.11 -0.39 -0.18 0.00 0.02 0.00 0.00 55.97 55.31 2cw4 s LYS 21 Cb -0.14 -3.51 0.05 0.00 -0.52 0.00 0.00 37.83 33.71 2cw4 s LYS 21 CO -0.00 -0.18 0.52 0.00 -0.92 0.00 0.00 175.35 174.76 2cw4 s ALA 22 N 1.69 -1.28 -1.52 5.17 0.00 0.16 -2.80 121.76 123.17 2cw4 s ALA 22 Ca 0.07 1.47 -0.07 0.00 0.00 0.00 0.00 51.96 53.42 2cw4 s ALA 22 Cb -0.16 -0.85 0.06 0.00 0.00 0.00 0.00 23.12 22.17 2cw4 s ALA 22 CO 0.08 -0.25 0.58 0.41 0.00 0.00 0.00 175.76 176.58 2cw4 n GLY 23 N 2.82 -0.32 2.51 0.00 0.00 -1.26 -1.23 105.19 107.71 2cw4 n GLY 23 Ca -0.14 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2cw4 n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cw4 n GLY 24 N -1.78 2.22 3.65 -0.02 0.00 -1.26 -5.02 105.19 102.99 2cw4 n GLY 24 Ca -0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.61 2cw4 n GLY 24 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2cw4 s PHE 25 N -2.99 2.55 -0.15 1.61 0.40 -0.37 0.01 117.98 119.05 2cw4 s PHE 25 Ca 0.00 -0.55 0.00 0.00 -0.60 0.00 0.00 56.93 55.78 2cw4 s PHE 25 Cb 0.00 -1.71 0.03 0.00 0.51 0.00 0.00 43.02 41.85 2cw4 s PHE 25 CO 0.00 0.39 -0.10 0.08 0.70 0.00 0.00 175.22 176.28 2cw4 s VAL 26 N -2.61 1.35 -0.37 -0.44 1.01 0.11 -0.67 120.40 118.78 2cw4 s VAL 26 Ca 0.37 -0.57 -0.14 0.00 0.00 0.00 0.00 61.98 61.64 2cw4 s VAL 26 Cb 0.04 -1.34 -0.00 0.00 0.00 0.00 0.00 36.38 35.08 2cw4 s VAL 26 CO 0.20 0.35 0.26 -0.36 0.00 0.00 0.00 175.10 175.56 2cw4 s PHE 27 N 1.57 3.23 -0.18 5.22 0.08 0.16 -1.15 117.98 126.90 2cw4 s PHE 27 Ca 0.04 -0.39 -0.10 0.00 0.12 0.00 0.00 56.93 56.60 2cw4 s PHE 27 Cb -0.13 -2.52 -0.05 0.00 -0.57 0.00 0.00 43.02 39.74 2cw4 s PHE 27 CO -0.09 -0.46 0.16 0.08 -0.10 0.00 0.00 175.22 174.80 2cw4 s VAL 28 N 1.70 5.40 0.74 -0.44 1.01 -0.12 -0.86 120.40 127.83 2cw4 s VAL 28 Ca 0.06 0.25 -0.14 0.00 0.00 0.00 0.00 61.98 62.15 2cw4 s VAL 28 Cb -0.18 -3.49 0.04 0.00 0.00 0.00 0.00 36.38 32.76 2cw4 s VAL 28 CO 0.10 0.46 1.15 -0.44 0.00 0.00 0.00 175.10 176.37 2cw4 s SER 29 N 0.16 4.35 -0.07 3.32 0.01 0.09 -2.70 113.70 118.87 2cw4 s SER 29 Ca 0.10 2.14 -0.29 0.00 1.31 0.00 0.00 55.95 59.22 2cw4 s SER 29 Cb -0.11 -2.56 -0.07 0.00 0.21 0.00 0.00 66.02 63.48 2cw4 s SER 29 CO -0.00 -2.15 2.04 -0.83 0.41 0.00 0.00 173.24 172.71 2cw4 s GLY 30 N -2.49 1.11 0.00 3.44 0.00 -1.26 -4.52 107.32 103.61 2cw4 s GLY 30 Ca 0.69 1.09 -0.17 0.00 0.00 0.00 0.00 44.72 46.33 2cw4 s GLY 30 CO 0.47 3.56 0.46 1.20 0.00 0.00 0.00 173.10 178.80 2cw4 s GLN 31 N 5.13 4.06 0.39 2.90 -1.52 0.12 -4.78 119.66 125.96 2cw4 s GLN 31 Ca 0.92 0.51 0.08 0.00 -1.95 0.00 0.00 55.36 54.91 2cw4 s GLN 31 Cb -0.38 -3.26 -0.07 0.00 -0.22 0.00 0.00 33.01 29.08 2cw4 s GLN 31 CO 0.39 0.59 0.04 0.96 -0.25 0.00 0.00 175.29 177.02 2cw4 s ILE 32 N -0.82 2.22 -0.01 1.08 -4.36 -1.26 -1.80 121.20 116.24 2cw4 s ILE 32 Ca 0.26 -1.94 -0.01 0.00 -0.26 0.00 0.00 60.65 58.70 2cw4 s ILE 32 Cb -0.17 -2.92 -0.04 0.00 1.25 0.00 0.00 42.46 40.57 2cw4 s ILE 32 CO 0.14 -0.06 1.00 -2.65 0.24 0.00 0.00 174.94 173.61 2cw4 n PRO 33 N -1.02 0.32 -4.24 0.37 -0.02 -1.26 -4.42 135.00 124.73 2cw4 n PRO 33 Ca -0.04 -0.18 -0.34 0.00 -2.02 0.00 0.00 63.50 60.93 2cw4 n PRO 33 Cb 0.65 -1.60 -0.08 0.00 -0.02 0.00 0.00 33.50 32.45 2cw4 n PRO 33 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2cw4 s LEU 34 N 0.00 3.69 0.68 2.45 1.43 -1.26 0.27 118.68 125.93 2cw4 s LEU 34 Ca 0.10 0.11 -0.10 0.00 -1.03 0.00 0.00 54.13 53.22 2cw4 s LEU 34 Cb 0.05 -2.02 0.01 0.00 0.03 0.00 0.00 46.19 44.26 2cw4 s LEU 34 CO -0.00 0.32 1.04 0.00 0.23 0.00 0.00 176.35 177.94 2cw4 s ALA 35 N -1.04 3.00 0.56 4.21 0.00 0.93 -4.54 121.76 124.89 2cw4 s ALA 35 Ca 0.18 -0.46 0.30 0.00 0.00 0.00 0.00 51.96 51.98 2cw4 s ALA 35 Cb -0.12 -2.90 1.46 0.00 0.00 0.00 0.00 23.12 21.56 2cw4 s ALA 35 CO 0.08 -1.06 1.88 -1.35 0.00 0.00 0.00 175.76 175.31 2cw4 h PRO 36 N -0.53 0.00 -0.21 0.00 0.11 -1.85 0.24 132.00 129.76 2cw4 h PRO 36 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2cw4 h PRO 36 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2cw4 h PRO 36 CO 0.63 0.00 0.00 -0.40 -0.21 0.00 0.00 178.00 178.02 2cw4 n ASP 37 N -3.98 1.17 0.00 -2.05 5.75 -1.26 -4.21 116.55 111.96 2cw4 n ASP 37 Ca 0.14 -1.96 0.00 0.00 -0.01 0.00 0.00 54.79 52.95 2cw4 n ASP 37 Cb 0.83 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 40.78 2cw4 n ASP 37 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2cw4 n GLY 38 N 0.86 0.96 3.75 6.12 0.00 0.85 -5.02 105.19 112.71 2cw4 n GLY 38 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 2cw4 n GLY 38 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cw4 s SER 39 N -3.01 7.59 0.18 1.61 1.04 -1.25 -4.73 113.70 115.13 2cw4 s SER 39 Ca 0.00 1.95 -0.30 0.00 0.48 0.00 0.00 55.95 58.08 2cw4 s SER 39 Cb 0.00 -2.61 -0.08 0.00 0.10 0.00 0.00 66.02 63.44 2cw4 s SER 39 CO 0.00 0.09 1.04 -0.22 0.98 0.00 0.00 173.24 175.13 2cw4 s LEU 40 N -0.98 4.52 -0.38 2.42 1.98 -1.26 -0.05 118.68 124.93 2cw4 s LEU 40 Ca 0.42 2.01 -0.19 0.00 -2.89 0.00 0.00 54.13 53.48 2cw4 s LEU 40 Cb -0.26 -3.60 0.01 0.00 0.66 0.00 0.00 46.19 42.99 2cw4 s LEU 40 CO 0.32 -0.12 0.54 -0.69 -1.89 0.00 0.00 176.35 174.52 2cw4 s VAL 41 N -0.40 4.97 0.56 1.68 1.01 0.14 -4.89 120.40 123.47 2cw4 s VAL 41 Ca 0.47 0.23 -0.13 0.00 0.00 0.00 0.00 61.98 62.55 2cw4 s VAL 41 Cb -0.28 -4.04 -0.06 0.00 0.00 0.00 0.00 36.38 32.01 2cw4 s VAL 41 CO 0.34 -0.33 0.98 -1.61 0.00 0.00 0.00 175.10 174.48 2cw4 s GLU 42 N 2.48 3.74 0.00 2.72 2.02 -1.26 -4.71 118.70 123.70 2cw4 s GLU 42 Ca 0.19 0.78 0.00 0.00 0.02 0.00 0.00 54.97 55.96 2cw4 s GLU 42 Cb -0.15 -2.14 0.00 0.00 0.10 0.00 0.00 34.13 31.94 2cw4 s GLU 42 CO 0.15 -0.40 0.00 0.41 0.02 0.00 0.00 175.26 175.44 2cw4 n GLY 43 N -2.18 1.01 0.46 -1.39 0.00 -1.26 -4.78 105.19 97.06 2cw4 n GLY 43 Ca 0.06 -1.98 -0.04 0.00 0.00 0.00 0.00 46.02 44.06 2cw4 n GLY 43 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2cw4 n ASP 44 N 2.73 -0.72 -0.02 1.61 5.68 -1.26 -4.66 116.55 119.91 2cw4 n ASP 44 Ca 0.00 -0.76 0.03 0.00 -0.50 0.00 0.00 54.79 53.56 2cw4 n ASP 44 Cb 0.00 -0.13 0.37 0.00 -1.14 0.00 0.00 41.12 40.22 2cw4 n ASP 44 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 2cw4 h ILE 45 N -1.45 1.14 -0.11 2.12 6.09 -1.95 -2.03 117.51 121.31 2cw4 h ILE 45 Ca -0.05 -0.35 -0.01 0.00 -1.37 0.00 0.00 64.86 63.08 2cw4 h ILE 45 Cb 0.16 0.56 -0.00 0.00 0.47 0.00 0.00 36.82 38.00 2cw4 h ILE 45 CO 0.04 0.15 0.04 0.03 -3.07 0.00 0.00 178.15 175.34 2cw4 h ARG 46 N 0.60 0.17 -0.46 2.19 3.08 -1.92 0.82 114.38 118.86 2cw4 h ARG 46 Ca 0.15 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 2cw4 h ARG 46 Cb 0.02 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 2cw4 h ARG 46 CO -0.03 0.28 0.22 0.28 -1.07 0.00 0.00 179.97 179.66 2cw4 h VAL 47 N 0.02 1.18 -0.28 2.04 2.07 -1.83 -1.83 116.25 117.62 2cw4 h VAL 47 Ca 0.04 -0.50 -0.17 0.00 0.82 0.00 0.00 66.70 66.89 2cw4 h VAL 47 Cb 0.18 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 30.62 2cw4 h VAL 47 CO -0.00 0.20 -0.49 1.56 0.02 0.00 0.00 177.57 178.85 2cw4 h GLN 48 N 0.59 0.79 -0.75 1.57 4.20 -1.32 -2.99 115.11 117.20 2cw4 h GLN 48 Ca 0.16 -0.47 -0.04 0.00 0.06 0.00 0.00 58.65 58.36 2cw4 h GLN 48 Cb 0.11 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 2cw4 h GLN 48 CO -0.02 1.10 0.32 1.15 -0.67 0.00 0.00 178.83 180.70 2cw4 h THR 49 N 0.62 1.25 -0.24 -0.54 2.02 -0.73 -1.99 112.91 113.29 2cw4 h THR 49 Ca 0.03 -0.76 0.05 0.00 0.77 0.00 0.00 66.41 66.50 2cw4 h THR 49 Cb 1.07 0.33 -0.04 0.00 -1.74 0.00 0.00 68.15 67.77 2cw4 h THR 49 CO 0.11 0.31 -0.05 -0.08 0.37 0.00 0.00 175.52 176.18 2cw4 h GLU 50 N 1.08 0.01 -0.44 6.66 4.22 -1.26 -2.47 114.58 122.39 2cw4 h GLU 50 Ca 0.25 -0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.70 2cw4 h GLU 50 Cb 0.18 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2cw4 h GLU 50 CO -0.02 0.01 0.28 -0.09 -2.18 0.00 0.00 179.01 177.01 2cw4 h ARG 51 N 0.01 0.59 -0.88 1.92 9.65 -1.32 -0.28 114.38 124.07 2cw4 h ARG 51 Ca 0.12 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.95 2cw4 h ARG 51 Cb 0.17 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 28.62 2cw4 h ARG 51 CO -0.24 0.41 0.00 0.28 2.80 0.00 0.00 179.97 183.22 2cw4 n VAL 52 N -4.76 0.00 0.00 0.20 0.31 -0.79 -0.51 118.33 112.78 2cw4 n VAL 52 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 2cw4 n VAL 52 Cb 0.03 -0.22 0.00 0.00 -0.91 0.00 0.00 33.84 32.74 2cw4 n VAL 52 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2cw4 n GLU 54 N 0.72 0.00 -0.05 5.55 -0.58 -0.12 -0.87 120.64 125.29 2cw4 n GLU 54 Ca 0.00 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.67 2cw4 n GLU 54 Cb 0.00 0.00 0.11 0.00 -0.57 0.00 0.00 31.44 30.98 2cw4 n GLU 54 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 2cw4 h ASN 55 N 0.00 0.69 -0.46 1.62 2.35 -1.05 -1.98 115.58 116.75 2cw4 h ASN 55 Ca 0.00 -0.27 -0.06 0.00 -0.55 0.00 0.00 56.30 55.43 2cw4 h ASN 55 Cb 0.00 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 2cw4 h ASN 55 CO 0.00 0.94 0.06 -0.07 -1.65 0.00 0.00 177.43 176.71 2cw4 h LEU 56 N 0.58 0.75 -0.30 1.61 3.38 -1.26 -1.55 115.31 118.52 2cw4 h LEU 56 Ca 0.07 -0.27 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 2cw4 h LEU 56 Cb 0.78 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2cw4 h LEU 56 CO 0.06 0.83 0.19 0.11 0.09 0.00 0.00 178.44 179.72 2cw4 h LYS 57 N 0.63 0.40 -0.11 1.13 1.57 -1.80 -0.29 116.57 118.10 2cw4 h LYS 57 Ca 0.14 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.91 2cw4 h LYS 57 Cb 0.41 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.61 2cw4 h LYS 57 CO 0.01 0.30 -0.07 0.00 -0.57 0.00 0.00 179.45 179.12 2cw4 h ALA 58 N 1.08 0.03 0.03 3.86 0.00 -1.20 0.21 119.26 123.26 2cw4 h ALA 58 Ca 0.11 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2cw4 h ALA 58 Cb -0.01 0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2cw4 h ALA 58 CO -0.02 -0.53 -0.01 0.28 0.00 0.00 0.00 179.25 178.97 2cw4 h VAL 59 N -0.07 1.09 -0.83 0.00 2.07 -1.15 -1.35 116.25 116.00 2cw4 h VAL 59 Ca 0.07 -0.35 0.05 0.00 0.82 0.00 0.00 66.70 67.28 2cw4 h VAL 59 Cb 0.17 1.32 -0.05 0.00 -1.52 0.00 0.00 31.29 31.21 2cw4 h VAL 59 CO -0.16 0.09 0.52 -0.07 0.02 0.00 0.00 177.57 177.97 2cw4 h LEU 60 N -0.19 0.85 -0.60 2.57 3.38 -0.88 -1.79 115.31 118.64 2cw4 h LEU 60 Ca -0.00 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 2cw4 h LEU 60 Cb 0.18 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2cw4 h LEU 60 CO 0.01 0.56 0.12 -0.33 0.09 0.00 0.00 178.44 178.89 2cw4 h GLU 61 N 0.99 0.98 0.00 1.13 5.08 -0.49 0.15 114.58 122.42 2cw4 h GLU 61 Ca 0.35 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 2cw4 h GLU 61 Cb 0.08 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 2cw4 h GLU 61 CO -0.14 0.91 -0.08 0.00 -1.00 0.00 0.00 179.01 178.70 2cw4 h ALA 62 N 1.03 1.68 0.00 3.43 0.00 -0.56 -0.88 119.26 123.96 2cw4 h ALA 62 Ca 0.19 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2cw4 h ALA 62 Cb 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2cw4 h ALA 62 CO 0.01 0.10 -0.06 0.00 0.00 0.00 0.00 179.25 179.30 2cw4 n ALA 63 N -2.44 2.43 -0.47 0.00 0.00 -0.74 -4.87 120.51 114.41 2cw4 n ALA 63 Ca -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2cw4 n ALA 63 Cb 0.17 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.18 2cw4 n ALA 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cw4 n GLY 64 N 1.44 0.72 0.00 0.00 0.00 -0.33 -4.83 105.19 102.19 2cw4 n GLY 64 Ca 0.06 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.63 2cw4 n GLY 64 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cw4 n SER 65 N 0.82 1.25 -3.67 1.61 2.88 0.47 -4.60 113.62 112.37 2cw4 n SER 65 Ca 0.00 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.57 2cw4 n SER 65 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2cw4 n SER 65 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2cw4 s GLY 66 N -0.15 -0.37 0.46 0.46 0.00 -1.25 -3.77 107.32 102.70 2cw4 s GLY 66 Ca 0.00 0.61 0.13 0.00 0.00 0.00 0.00 44.72 45.47 2cw4 s GLY 66 CO 0.00 1.74 2.06 1.41 0.00 0.00 0.00 173.10 178.31 2cw4 h LEU 67 N 2.00 0.26 -0.03 0.66 3.38 -1.91 -1.31 115.31 118.36 2cw4 h LEU 67 Ca -0.29 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2cw4 h LEU 67 Cb 1.19 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2cw4 h LEU 67 CO 0.30 0.18 0.00 -1.54 0.09 0.00 0.00 178.44 177.46 2cw4 n SER 68 N -4.48 0.03 -0.42 -0.43 3.41 -1.26 -2.26 113.62 108.21 2cw4 n SER 68 Ca 0.04 0.51 0.10 0.00 -0.26 0.00 0.00 58.87 59.26 2cw4 n SER 68 Cb 0.21 -0.52 -0.01 0.00 -0.26 0.00 0.00 64.21 63.63 2cw4 n SER 68 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2cw4 n ARG 69 N -1.54 1.26 -2.05 4.33 5.12 -0.50 -4.94 116.66 118.34 2cw4 n ARG 69 Ca 0.04 -0.87 -0.42 0.00 -1.93 0.00 0.00 57.85 54.67 2cw4 n ARG 69 Cb 0.20 -1.43 -0.03 0.00 -1.16 0.00 0.00 32.46 30.04 2cw4 n ARG 69 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2cw4 s VAL 70 N -2.38 3.42 -0.06 1.55 1.01 -0.96 -1.43 120.40 121.55 2cw4 s VAL 70 Ca 0.16 0.75 0.19 0.00 0.00 0.00 0.00 61.98 63.09 2cw4 s VAL 70 Cb 0.17 -3.48 -0.29 0.00 0.00 0.00 0.00 36.38 32.77 2cw4 s VAL 70 CO 0.56 -0.02 0.35 1.33 0.00 0.00 0.00 175.10 177.32 2cw4 n VAL 71 N 4.92 0.28 -3.72 2.92 0.24 0.05 -4.17 118.33 118.86 2cw4 n VAL 71 Ca 0.15 -0.53 -0.13 0.00 -2.04 0.00 0.00 64.34 61.79 2cw4 n VAL 71 Cb 0.42 -0.08 -0.10 0.00 -1.47 0.00 0.00 33.84 32.62 2cw4 n VAL 71 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2cw4 s GLN 72 N -3.18 0.54 0.04 7.34 0.74 -1.01 -0.52 119.66 123.61 2cw4 s GLN 72 Ca -0.08 0.58 0.03 0.00 0.05 0.00 0.00 55.36 55.95 2cw4 s GLN 72 Cb 0.11 0.26 -0.02 0.00 1.10 0.00 0.00 33.01 34.46 2cw4 s GLN 72 CO 0.82 -0.07 -0.10 0.95 -0.55 0.00 0.00 175.29 176.33 2cw4 s THR 73 N 0.16 0.76 -0.23 -0.34 -4.23 -0.39 -0.84 115.64 110.53 2cw4 s THR 73 Ca -0.01 -1.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.51 2cw4 s THR 73 Cb -0.03 -0.76 0.05 0.00 1.34 0.00 0.00 72.50 73.11 2cw4 s THR 73 CO 0.01 -0.21 -0.07 -0.89 -0.54 0.00 0.00 174.62 172.92 2cw4 s THR 74 N -1.09 1.61 -0.24 3.99 2.01 -0.14 -1.99 115.64 119.79 2cw4 s THR 74 Ca -0.04 -1.19 -0.05 0.00 0.31 0.00 0.00 61.69 60.72 2cw4 s THR 74 Cb -0.09 -1.81 -0.00 0.00 0.01 0.00 0.00 72.50 70.61 2cw4 s THR 74 CO 0.01 -0.02 0.00 0.00 -0.69 0.00 0.00 174.62 173.92 2cw4 s PHE 76 N 1.49 3.01 0.24 0.00 0.40 0.06 -0.87 117.98 122.31 2cw4 s PHE 76 Ca 0.05 -0.37 0.10 0.00 -0.60 0.00 0.00 56.93 56.11 2cw4 s PHE 76 Cb -0.15 -1.98 -0.05 0.00 0.51 0.00 0.00 43.02 41.36 2cw4 s PHE 76 CO -0.01 -0.10 -0.12 -0.51 0.70 0.00 0.00 175.22 175.18 2cw4 s LEU 77 N 0.50 2.84 0.00 -0.37 1.43 0.60 -1.33 118.68 122.35 2cw4 s LEU 77 Ca -0.03 -0.78 0.22 0.00 -1.03 0.00 0.00 54.13 52.50 2cw4 s LEU 77 Cb -0.14 -1.43 0.23 0.00 0.03 0.00 0.00 46.19 44.88 2cw4 s LEU 77 CO 0.03 0.05 1.24 0.00 0.23 0.00 0.00 176.35 177.90 2cw4 n ALA 78 N -0.42 2.45 -3.00 4.21 0.00 -0.85 0.16 120.51 123.05 2cw4 n ALA 78 Ca -0.08 -0.76 0.00 0.00 0.00 0.00 0.00 53.44 52.60 2cw4 n ALA 78 Cb 0.58 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.28 2cw4 n ALA 78 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2cw4 n ASP 79 N 1.27 0.00 0.00 0.00 2.03 -1.26 -4.68 116.55 113.91 2cw4 n ASP 79 Ca 0.14 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.45 2cw4 n ASP 79 Cb 0.55 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.95 2cw4 n ASP 79 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2cw4 n GLU 81 N 0.00 0.00 -0.14 -0.67 -0.58 -1.26 -4.14 120.64 113.84 2cw4 n GLU 81 Ca 0.00 0.00 0.11 0.00 -0.42 0.00 0.00 57.16 56.85 2cw4 n GLU 81 Cb 0.00 0.00 0.28 0.00 -0.57 0.00 0.00 31.44 31.15 2cw4 n GLU 81 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2cw4 n ASP 82 N 0.00 2.55 -0.00 1.62 8.00 -1.26 -4.46 116.55 123.00 2cw4 n ASP 82 Ca 0.00 -1.87 -0.11 0.00 0.71 0.00 0.00 54.79 53.52 2cw4 n ASP 82 Cb 0.00 -0.19 -0.06 0.00 -0.02 0.00 0.00 41.12 40.85 2cw4 n ASP 82 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 2cw4 h PHE 83 N 3.28 0.12 -0.03 1.24 0.05 -2.00 -1.59 116.94 118.01 2cw4 h PHE 83 Ca 0.00 -0.00 -0.00 0.00 3.82 0.00 0.00 57.97 61.79 2cw4 h PHE 83 Cb 0.72 -0.04 -0.00 0.00 2.00 0.00 0.00 35.95 38.64 2cw4 h PHE 83 CO 0.19 0.15 0.01 -1.35 -0.18 0.00 0.00 178.31 177.13 2cw4 h PRO 84 N 0.05 0.04 -0.45 1.51 0.11 -1.97 -1.92 132.00 129.37 2cw4 h PRO 84 Ca 0.03 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.10 2cw4 h PRO 84 Cb 0.07 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.15 2cw4 h PRO 84 CO -0.01 0.17 0.12 0.78 -0.21 0.00 0.00 178.00 178.86 2cw4 h GLY 85 N -0.10 0.72 0.56 -0.55 0.00 -1.82 -1.70 103.07 100.18 2cw4 h GLY 85 Ca 0.01 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 2cw4 h GLY 85 CO -0.00 0.36 -0.02 -2.75 0.00 0.00 0.00 176.54 174.13 2cw4 h PHE 86 N 0.65 -0.05 -0.86 5.60 3.04 -1.25 -3.06 116.94 121.01 2cw4 h PHE 86 Ca 0.15 -0.00 0.10 0.00 3.98 0.00 0.00 57.97 62.20 2cw4 h PHE 86 Cb 0.23 0.02 -0.06 0.00 2.56 0.00 0.00 35.95 38.69 2cw4 h PHE 86 CO 0.01 0.37 0.56 -0.97 -2.02 0.00 0.00 178.31 176.26 2cw4 h ASN 87 N -0.49 0.75 -0.40 0.41 -1.24 -1.17 0.13 115.58 113.56 2cw4 h ASN 87 Ca -0.01 0.02 0.02 0.00 0.71 0.00 0.00 56.30 57.05 2cw4 h ASN 87 Cb 0.45 -0.13 -0.03 0.00 0.73 0.00 0.00 38.32 39.34 2cw4 h ASN 87 CO 0.01 0.44 0.22 -0.08 -1.29 0.00 0.00 177.43 176.72 2cw4 h GLU 88 N 0.82 0.42 -0.06 6.67 4.81 -1.26 0.49 114.58 126.47 2cw4 h GLU 88 Ca 0.40 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.55 2cw4 h GLU 88 Cb 0.44 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.73 2cw4 h GLU 88 CO -0.17 0.28 -0.16 0.28 -0.73 0.00 0.00 179.01 178.51 2cw4 h VAL 89 N 0.44 1.43 -1.00 0.32 2.07 -1.31 -3.21 116.25 114.98 2cw4 h VAL 89 Ca 0.17 -1.51 0.19 0.00 0.82 0.00 0.00 66.70 66.36 2cw4 h VAL 89 Cb 0.05 2.26 -0.11 0.00 -1.52 0.00 0.00 31.29 31.97 2cw4 h VAL 89 CO -0.10 0.42 0.60 0.22 0.02 0.00 0.00 177.57 178.73 2cw4 h TYR 90 N -0.28 1.05 -0.33 1.57 3.20 -0.80 -1.36 116.97 120.03 2cw4 h TYR 90 Ca -0.00 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 2cw4 h TYR 90 Cb 0.77 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.70 2cw4 h TYR 90 CO 0.12 0.22 0.07 0.00 -1.64 0.00 0.00 178.16 176.94 2cw4 h ALA 91 N 1.65 1.52 0.00 1.82 0.00 -0.90 -2.59 119.26 120.75 2cw4 h ALA 91 Ca 0.58 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.33 2cw4 h ALA 91 Cb 0.90 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 2cw4 h ALA 91 CO -0.39 0.36 -0.11 0.00 0.00 0.00 0.00 179.25 179.12 2cw4 h ARG 92 N 0.47 0.00 0.00 0.00 3.08 -1.29 -3.12 114.38 113.52 2cw4 h ARG 92 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 2cw4 h ARG 92 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 2cw4 h ARG 92 CO -0.00 0.11 -0.81 0.66 -1.07 0.00 0.00 179.97 178.85 2cw4 n TYR 93 N -3.51 0.38 -4.37 3.04 4.02 -0.98 -4.95 117.16 110.80 2cw4 n TYR 93 Ca -0.01 0.11 -0.26 0.00 -0.01 0.00 0.00 57.90 57.73 2cw4 n TYR 93 Cb 0.25 -0.53 -0.12 0.00 -0.02 0.00 0.00 39.34 38.92 2cw4 n TYR 93 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 2cw4 s PHE 94 N -3.17 2.10 0.11 -0.72 0.40 -1.18 -4.85 117.98 110.66 2cw4 s PHE 94 Ca 0.05 -0.40 0.05 0.00 -0.60 0.00 0.00 56.93 56.03 2cw4 s PHE 94 Cb 0.14 -1.09 -0.04 0.00 0.51 0.00 0.00 43.02 42.54 2cw4 s PHE 94 CO 0.76 0.36 -0.12 0.99 0.70 0.00 0.00 175.22 177.91 2cw4 s THR 95 N -1.45 1.13 0.33 0.64 2.01 -1.26 -4.94 115.64 112.10 2cw4 s THR 95 Ca 0.15 -1.71 -0.29 0.00 0.31 0.00 0.00 61.69 60.14 2cw4 s THR 95 Cb -0.09 -1.48 -0.11 0.00 0.01 0.00 0.00 72.50 70.84 2cw4 s THR 95 CO 0.07 -0.51 1.57 -2.84 -0.69 0.00 0.00 174.62 172.21 2cw4 s PRO 96 N -2.82 4.10 0.21 4.92 0.02 -1.26 -3.59 135.00 136.58 2cw4 s PRO 96 Ca 0.08 2.60 -0.30 0.00 0.02 0.00 0.00 61.00 63.40 2cw4 s PRO 96 Cb -0.03 -2.99 -0.08 0.00 0.02 0.00 0.00 34.50 31.41 2cw4 s PRO 96 CO 0.01 -0.62 1.15 -2.14 -0.33 0.00 0.00 177.00 175.07 2cw4 s PRO 97 N -1.16 4.56 0.46 5.54 0.02 -1.26 -5.16 135.00 137.99 2cw4 s PRO 97 Ca 0.59 1.81 -0.11 0.00 0.02 0.00 0.00 61.00 63.32 2cw4 s PRO 97 Cb -0.48 -3.24 -0.06 0.00 0.02 0.00 0.00 34.50 30.75 2cw4 s PRO 97 CO 0.55 0.03 0.84 0.71 -0.33 0.00 0.00 177.00 178.80 2cw4 s TYR 98 N -0.40 3.50 0.71 6.54 1.51 -1.24 -5.03 117.35 122.95 2cw4 s TYR 98 Ca 0.50 1.11 -0.12 0.00 -1.01 0.00 0.00 57.07 57.55 2cw4 s TYR 98 Cb -0.32 -2.51 0.02 0.00 -0.11 0.00 0.00 41.96 39.04 2cw4 s TYR 98 CO 0.37 -0.24 1.07 -2.14 -1.11 0.00 0.00 175.55 173.51 2cw4 s PRO 99 N -4.16 2.71 0.59 -1.71 0.02 -1.26 -5.00 135.00 126.19 2cw4 s PRO 99 Ca 0.52 1.09 -0.18 0.00 0.02 0.00 0.00 61.00 62.46 2cw4 s PRO 99 Cb -0.10 -1.96 -0.04 0.00 0.02 0.00 0.00 34.50 32.42 2cw4 s PRO 99 CO 0.36 -1.28 1.11 0.00 -0.33 0.00 0.00 177.00 176.86 2cw4 s ALA 100 N -2.88 2.62 0.03 -1.55 0.00 0.33 -4.87 121.76 115.45 2cw4 s ALA 100 Ca 0.60 0.68 -0.10 0.00 0.00 0.00 0.00 51.96 53.15 2cw4 s ALA 100 Cb -0.16 -3.33 0.01 0.00 0.00 0.00 0.00 23.12 19.64 2cw4 s ALA 100 CO 0.52 -0.94 0.20 0.50 0.00 0.00 0.00 175.76 176.05 2cw4 s ARG 101 N -3.64 0.68 -0.02 0.00 3.52 -1.26 -1.26 118.95 116.97 2cw4 s ARG 101 Ca 0.70 -0.58 0.01 0.00 -0.13 0.00 0.00 55.73 55.73 2cw4 s ARG 101 Cb -0.22 0.28 0.02 0.00 -1.56 0.00 0.00 34.95 33.48 2cw4 s ARG 101 CO 0.33 -0.19 -0.01 0.00 -0.81 0.00 0.00 175.30 174.62 2cw4 s ALA 102 N -2.38 0.27 -0.03 6.12 0.00 -0.84 -4.97 121.76 119.93 2cw4 s ALA 102 Ca -0.06 0.10 0.01 0.00 0.00 0.00 0.00 51.96 52.01 2cw4 s ALA 102 Cb -0.02 -0.24 0.02 0.00 0.00 0.00 0.00 23.12 22.88 2cw4 s ALA 102 CO -0.03 -0.04 -0.04 0.95 0.00 0.00 0.00 175.76 176.60 2cw4 s THR 103 N 0.72 0.46 0.06 0.00 -4.23 -1.26 0.17 115.64 111.56 2cw4 s THR 103 Ca -0.07 -0.12 -0.05 0.00 -1.18 0.00 0.00 61.69 60.26 2cw4 s THR 103 Cb -0.10 -0.47 -0.02 0.00 1.34 0.00 0.00 72.50 73.25 2cw4 s THR 103 CO -0.01 0.19 0.09 0.68 -0.54 0.00 0.00 174.62 175.03 2cw4 s VAL 104 N 0.65 0.16 -0.29 2.29 -7.23 -0.05 -4.99 120.40 110.94 2cw4 s VAL 104 Ca -0.08 -1.32 -0.09 0.00 -1.81 0.00 0.00 61.98 58.68 2cw4 s VAL 104 Cb -0.11 -1.21 -0.01 0.00 0.56 0.00 0.00 36.38 35.60 2cw4 s VAL 104 CO -0.00 -0.73 0.13 0.00 -0.31 0.00 0.00 175.10 174.19 2cw4 s ALA 105 N -3.39 3.24 0.57 1.32 0.00 -1.26 -0.29 121.76 121.95 2cw4 s ALA 105 Ca 0.02 -1.32 0.06 0.00 0.00 0.00 0.00 51.96 50.72 2cw4 s ALA 105 Cb 0.03 -2.29 0.07 0.00 0.00 0.00 0.00 23.12 20.94 2cw4 s ALA 105 CO -0.08 -0.79 0.79 0.14 0.00 0.00 0.00 175.76 175.81 2cw4 s VAL 106 N 1.61 2.37 0.09 0.00 -7.23 0.41 -4.91 120.40 112.74 2cw4 s VAL 106 Ca 0.05 -0.88 -0.16 0.00 -1.81 0.00 0.00 61.98 59.17 2cw4 s VAL 106 Cb -0.17 -2.49 -0.08 0.00 0.56 0.00 0.00 36.38 34.20 2cw4 s VAL 106 CO 0.05 0.00 1.45 0.50 -0.31 0.00 0.00 175.10 176.79 2cw4 h LYS 107 N 0.12 0.59 -2.46 4.82 3.64 -1.86 -3.40 116.57 118.02 2cw4 h LYS 107 Ca -0.34 -0.27 -0.01 0.00 -1.27 0.00 0.00 60.65 58.76 2cw4 h LYS 107 Cb 1.28 -0.01 -0.16 0.00 -0.41 0.00 0.00 32.23 32.93 2cw4 h LYS 107 CO 0.43 0.84 0.26 0.00 -2.27 0.00 0.00 179.45 178.71 2cw4 s ALA 108 N -4.57 -1.71 0.34 5.00 0.00 -1.26 -4.95 121.76 114.60 2cw4 s ALA 108 Ca -0.13 0.92 0.10 0.00 0.00 0.00 0.00 51.96 52.85 2cw4 s ALA 108 Cb 0.08 0.41 -0.06 0.00 0.00 0.00 0.00 23.12 23.54 2cw4 s ALA 108 CO 0.79 -0.59 -0.10 -0.51 0.00 0.00 0.00 175.76 175.35 2cw4 s LEU 109 N -2.05 2.72 0.11 0.00 1.43 -1.26 -5.01 118.68 114.62 2cw4 s LEU 109 Ca -0.03 -1.19 -0.36 0.00 -1.03 0.00 0.00 54.13 51.53 2cw4 s LEU 109 Cb -0.01 -1.00 -0.16 0.00 0.03 0.00 0.00 46.19 45.05 2cw4 s LEU 109 CO -0.03 -0.19 1.29 -2.65 0.23 0.00 0.00 176.35 175.00 2cw4 n PRO 110 N -0.78 1.15 -1.88 1.29 -0.02 -1.26 -1.37 135.00 132.12 2cw4 n PRO 110 Ca -0.05 0.41 -0.20 0.00 -2.02 0.00 0.00 63.50 61.65 2cw4 n PRO 110 Cb 0.63 -2.01 -0.06 0.00 -0.02 0.00 0.00 33.50 32.04 2cw4 n PRO 110 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2cw4 n ARG 111 N 2.29 -1.56 -1.02 -0.52 1.74 -1.26 -2.63 116.66 113.70 2cw4 n ARG 111 Ca 0.17 1.08 -0.01 0.00 -0.77 0.00 0.00 57.85 58.32 2cw4 n ARG 111 Cb 0.21 -5.55 -0.00 0.00 -1.02 0.00 0.00 32.46 26.09 2cw4 n ARG 111 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2cw4 n GLY 112 N -0.60 0.37 3.59 -0.13 0.00 -0.47 -5.01 105.19 102.94 2cw4 n GLY 112 Ca -0.21 -0.06 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 2cw4 n GLY 112 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2cw4 n VAL 113 N -2.63 0.00 0.05 1.61 0.31 -1.08 -4.86 118.33 111.73 2cw4 n VAL 113 Ca -0.01 -0.15 0.02 0.00 -0.01 0.00 0.00 64.34 64.19 2cw4 n VAL 113 Cb 0.20 -0.97 -0.06 0.00 -0.91 0.00 0.00 33.84 32.10 2cw4 n VAL 113 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 2cw4 h ARG 114 N -2.13 0.00 -3.30 5.55 3.08 -1.95 -3.39 114.38 112.24 2cw4 h ARG 114 Ca -0.49 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.41 2cw4 h ARG 114 Cb 1.29 0.00 -0.23 0.00 0.08 0.00 0.00 29.97 31.11 2cw4 h ARG 114 CO 0.43 0.24 -0.45 0.54 -1.07 0.00 0.00 179.97 179.66 2cw4 s VAL 115 N -3.01 0.04 -0.07 2.04 0.11 -1.26 -2.01 120.40 116.23 2cw4 s VAL 115 Ca -0.02 -0.33 -0.03 0.00 -2.93 0.00 0.00 61.98 58.67 2cw4 s VAL 115 Cb 0.09 -0.40 0.04 0.00 -1.53 0.00 0.00 36.38 34.58 2cw4 s VAL 115 CO 0.80 -0.18 0.15 -0.70 -3.33 0.00 0.00 175.10 171.84 2cw4 s GLU 116 N -0.66 0.07 -0.11 1.54 2.12 -0.44 -4.21 118.70 117.00 2cw4 s GLU 116 Ca -0.08 0.44 0.01 0.00 0.36 0.00 0.00 54.97 55.71 2cw4 s GLU 116 Cb -0.04 -0.21 0.02 0.00 0.26 0.00 0.00 34.13 34.15 2cw4 s GLU 116 CO 0.01 -0.22 -0.13 0.08 -0.54 0.00 0.00 175.26 174.47 2cw4 s VAL 117 N 1.59 1.35 0.26 3.70 1.01 -0.74 -0.76 120.40 126.81 2cw4 s VAL 117 Ca -0.05 -0.54 0.09 0.00 0.00 0.00 0.00 61.98 61.49 2cw4 s VAL 117 Cb -0.12 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 2cw4 s VAL 117 CO -0.06 0.41 0.03 0.00 0.00 0.00 0.00 175.10 175.49 2cw4 s ALA 118 N 1.19 3.23 0.27 5.51 0.00 -0.56 -0.71 121.76 130.70 2cw4 s ALA 118 Ca -0.03 -1.61 -0.19 0.00 0.00 0.00 0.00 51.96 50.14 2cw4 s ALA 118 Cb -0.14 -0.87 0.01 0.00 0.00 0.00 0.00 23.12 22.12 2cw4 s ALA 118 CO -0.04 0.27 0.65 0.00 0.00 0.00 0.00 175.76 176.64 2cw4 s VAL 120 N -3.95 0.67 0.29 0.00 1.01 -0.02 -0.95 120.40 117.45 2cw4 s VAL 120 Ca 0.14 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 61.93 2cw4 s VAL 120 Cb -0.04 -0.66 -0.05 0.00 0.00 0.00 0.00 36.38 35.62 2cw4 s VAL 120 CO 0.08 0.25 0.09 0.00 0.00 0.00 0.00 175.10 175.51 2cw4 s ALA 121 N 0.81 1.99 0.14 5.51 0.00 -0.30 -0.77 121.76 129.13 2cw4 s ALA 121 Ca -0.12 -1.92 -0.24 0.00 0.00 0.00 0.00 51.96 49.68 2cw4 s ALA 121 Cb -0.15 0.91 -0.08 0.00 0.00 0.00 0.00 23.12 23.81 2cw4 s ALA 121 CO 0.01 -0.41 0.74 -0.51 0.00 0.00 0.00 175.76 175.59 2cw4 s LEU 122 N -3.38 4.58 0.52 0.00 1.43 -0.51 0.04 118.68 121.36 2cw4 s LEU 122 Ca 0.37 1.57 -0.02 0.00 -1.03 0.00 0.00 54.13 55.02 2cw4 s LEU 122 Cb 0.08 -3.22 0.01 0.00 0.03 0.00 0.00 46.19 43.09 2cw4 s LEU 122 CO 0.14 0.21 0.78 0.00 0.23 0.00 0.00 176.35 177.72 2cw4 s ALA 123 N -1.10 3.61 -2.96 4.21 0.00 0.10 -4.72 121.76 120.91 2cw4 s ALA 123 Ca 0.35 -0.99 0.24 0.00 0.00 0.00 0.00 51.96 51.56 2cw4 s ALA 123 Cb -0.22 -2.29 0.26 0.00 0.00 0.00 0.00 23.12 20.86 2cw4 s ALA 123 CO 0.25 -0.62 1.30 0.39 0.00 0.00 0.00 175.76 177.08