#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3bwe s SER 3 N 0.00 0.00 0.84 0.00 0.01 -1.26 -5.14 113.70 108.15 3bwe s SER 3 Ca 0.00 -0.31 -0.11 0.00 1.31 0.00 0.00 55.95 56.84 3bwe s SER 3 Cb 0.00 0.29 0.09 0.00 0.21 0.00 0.00 66.02 66.61 3bwe s SER 3 CO 0.00 -0.54 1.09 -0.54 0.41 0.00 0.00 173.24 173.66 3bwe s LYS 4 N -2.39 1.73 0.03 12.44 3.01 -1.26 -4.85 119.74 128.44 3bwe s LYS 4 Ca -0.06 1.03 0.03 0.00 -1.01 0.00 0.00 55.97 55.95 3bwe s LYS 4 Cb -0.02 -1.85 -0.02 0.00 -1.01 0.00 0.00 37.83 34.94 3bwe s LYS 4 CO -0.03 -1.97 -0.09 1.03 0.51 0.00 0.00 175.35 174.80 3bwe s ARG 5 N -4.90 0.63 0.01 1.68 0.52 -1.26 -1.67 118.95 113.96 3bwe s ARG 5 Ca 0.62 -0.61 0.04 0.00 -0.52 0.00 0.00 55.73 55.27 3bwe s ARG 5 Cb -0.18 -0.54 -0.01 0.00 0.52 0.00 0.00 34.95 34.74 3bwe s ARG 5 CO 0.57 0.13 -0.13 0.00 0.02 0.00 0.00 175.30 175.88 3bwe s ALA 6 N -0.87 1.12 -0.28 2.13 0.00 0.30 -1.50 121.76 122.66 3bwe s ALA 6 Ca -0.03 -0.66 -0.02 0.00 0.00 0.00 0.00 51.96 51.24 3bwe s ALA 6 Cb -0.07 -0.24 0.04 0.00 0.00 0.00 0.00 23.12 22.85 3bwe s ALA 6 CO 0.01 0.25 -0.02 -1.17 0.00 0.00 0.00 175.76 174.82 3bwe s LEU 7 N -0.63 3.57 -0.33 0.00 1.98 -0.78 -0.27 118.68 122.22 3bwe s LEU 7 Ca 0.04 -1.04 -0.07 0.00 -2.89 0.00 0.00 54.13 50.17 3bwe s LEU 7 Cb -0.06 -1.71 0.03 0.00 0.66 0.00 0.00 46.19 45.11 3bwe s LEU 7 CO 0.00 -0.19 0.11 -0.69 -1.89 0.00 0.00 176.35 173.69 3bwe s VAL 8 N 1.31 3.95 -0.39 1.68 1.01 -0.63 -0.96 120.40 126.36 3bwe s VAL 8 Ca -0.02 -0.93 -0.24 0.00 0.00 0.00 0.00 61.98 60.79 3bwe s VAL 8 Cb -0.18 -3.15 0.02 0.00 0.00 0.00 0.00 36.38 33.06 3bwe s VAL 8 CO -0.02 -0.08 0.83 -0.63 0.00 0.00 0.00 175.10 175.20 3bwe s ILE 9 N 1.46 4.65 -0.37 2.22 1.01 -1.03 -1.28 121.20 127.86 3bwe s ILE 9 Ca 0.00 0.85 -0.14 0.00 0.00 0.00 0.00 60.65 61.36 3bwe s ILE 9 Cb -0.19 -4.28 -0.00 0.00 0.01 0.00 0.00 42.46 38.00 3bwe s ILE 9 CO 0.03 -0.56 0.27 -0.22 0.00 0.00 0.00 174.94 174.46 3bwe s LEU 10 N 3.30 4.79 0.11 2.97 2.96 -0.67 -4.36 118.68 127.78 3bwe s LEU 10 Ca 0.33 -0.64 0.09 0.00 -0.22 0.00 0.00 54.13 53.69 3bwe s LEU 10 Cb -0.12 -2.16 -0.04 0.00 0.50 0.00 0.00 46.19 44.37 3bwe s LEU 10 CO 0.20 -0.34 -0.17 0.00 -1.32 0.00 0.00 176.35 174.72 3bwe s ALA 11 N 1.71 2.71 0.18 5.97 0.00 -1.26 -1.22 121.76 129.86 3bwe s ALA 11 Ca 0.06 -1.33 -0.33 0.00 0.00 0.00 0.00 51.96 50.36 3bwe s ALA 11 Cb -0.18 -0.69 -0.15 0.00 0.00 0.00 0.00 23.12 22.10 3bwe s ALA 11 CO 0.10 0.60 1.22 1.17 0.00 0.00 0.00 175.76 178.85 3bwe n LYS 12 N 0.82 1.35 -0.68 0.00 4.81 -1.26 -1.10 118.16 122.09 3bwe n LYS 12 Ca -0.15 0.48 0.00 0.00 -0.87 0.00 0.00 58.31 57.77 3bwe n LYS 12 Cb 0.53 -2.01 0.00 0.00 0.02 0.00 0.00 35.03 33.56 3bwe n LYS 12 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3bwe n GLY 13 N 2.07 0.68 3.77 3.14 0.00 -0.13 -2.66 105.19 112.06 3bwe n GLY 13 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 3bwe n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3bwe s ALA 14 N -2.14 2.56 -0.45 4.61 0.00 -0.25 -1.96 121.76 124.12 3bwe s ALA 14 Ca 0.00 0.62 -0.29 0.00 0.00 0.00 0.00 51.96 52.29 3bwe s ALA 14 Cb 0.00 -3.33 0.03 0.00 0.00 0.00 0.00 23.12 19.82 3bwe s ALA 14 CO 0.00 -1.09 1.15 -2.00 0.00 0.00 0.00 175.76 173.82 3bwe s GLU 15 N -3.84 3.76 0.00 0.00 -6.30 -0.88 0.12 118.70 111.57 3bwe s GLU 15 Ca 0.69 0.66 0.00 0.00 -2.50 0.00 0.00 54.97 53.82 3bwe s GLU 15 Cb -0.21 -3.89 0.00 0.00 0.00 0.00 0.00 34.13 30.03 3bwe s GLU 15 CO 0.37 -1.33 0.00 0.39 0.02 0.00 0.00 175.26 174.71 3bwe n GLU 16 N 7.72 0.00 0.00 4.30 4.71 -1.26 -2.43 120.64 133.69 3bwe n GLU 16 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.27 3bwe n GLU 16 Cb 0.49 -0.80 0.00 0.00 -1.01 0.00 0.00 31.44 30.12 3bwe n GLU 16 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 3bwe n GLU 18 N 0.00 0.00 -0.12 3.49 1.02 -1.26 -0.71 120.64 123.05 3bwe n GLU 18 Ca 0.00 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.90 3bwe n GLU 18 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.33 3bwe n GLU 18 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 3bwe n THR 19 N 0.00 1.36 0.10 2.62 5.66 -1.02 -4.37 114.28 118.63 3bwe n THR 19 Ca 0.00 -0.39 -0.13 0.00 -3.05 0.00 0.00 64.05 60.47 3bwe n THR 19 Cb 0.00 -1.70 -0.08 0.00 -1.55 0.00 0.00 70.33 67.00 3bwe n THR 19 CO 0.00 0.00 0.00 0.58 -3.05 0.00 0.00 175.07 172.60 3bwe h VAL 20 N -0.66 0.91 -0.22 1.08 2.07 -1.19 -2.38 116.25 115.86 3bwe h VAL 20 Ca -0.61 -0.21 0.06 0.00 0.82 0.00 0.00 66.70 66.76 3bwe h VAL 20 Cb 1.62 1.04 -0.07 0.00 -1.52 0.00 0.00 31.29 32.36 3bwe h VAL 20 CO -0.30 0.05 -0.28 0.40 0.02 0.00 0.00 177.57 177.46 3bwe h ILE 21 N -0.29 0.33 -0.77 4.57 2.04 -1.83 0.15 117.51 121.71 3bwe h ILE 21 Ca -0.02 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 3bwe h ILE 21 Cb 0.23 0.33 -0.04 0.00 -0.74 0.00 0.00 36.82 36.61 3bwe h ILE 21 CO 0.03 0.00 0.40 -0.65 0.00 0.00 0.00 178.15 177.93 3bwe h PRO 22 N -0.30 1.09 -0.39 2.37 0.11 -1.76 -1.24 132.00 131.88 3bwe h PRO 22 Ca 0.13 -0.14 -0.01 0.00 0.11 0.00 0.00 66.00 66.09 3bwe h PRO 22 Cb 0.50 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.38 3bwe h PRO 22 CO -0.39 0.82 0.22 0.28 -0.21 0.00 0.00 178.00 178.72 3bwe h VAL 23 N 1.09 1.14 0.48 3.15 2.07 -0.82 -3.19 116.25 120.17 3bwe h VAL 23 Ca 0.27 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 3bwe h VAL 23 Cb 0.07 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 3bwe h VAL 23 CO -0.04 0.15 -0.23 -0.78 0.02 0.00 0.00 177.57 176.69 3bwe h ASP 24 N 0.51 -0.55 0.00 0.57 1.82 -0.61 -1.67 116.42 116.50 3bwe h ASP 24 Ca 0.14 -0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.75 3bwe h ASP 24 Cb 0.04 0.14 0.00 0.00 0.68 0.00 0.00 39.33 40.19 3bwe h ASP 24 CO -0.02 -0.32 0.00 0.52 -1.61 0.00 0.00 179.24 177.81 3bwe n VAL 25 N -5.33 0.00 0.00 2.25 0.31 -0.50 -1.15 118.33 113.91 3bwe n VAL 25 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 3bwe n VAL 25 Cb 0.29 -0.07 0.00 0.00 -0.91 0.00 0.00 33.84 33.14 3bwe n VAL 25 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3bwe n ARG 27 N 0.48 0.00 0.12 5.55 1.74 -0.63 -1.80 116.66 122.12 3bwe n ARG 27 Ca 0.00 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.05 3bwe n ARG 27 Cb 0.00 0.00 0.16 0.00 -1.02 0.00 0.00 32.46 31.60 3bwe n ARG 27 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3bwe h ARG 28 N 0.00 0.11 0.00 5.56 3.08 -1.40 -2.79 114.38 118.94 3bwe h ARG 28 Ca 0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3bwe h ARG 28 Cb 0.00 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.06 3bwe h ARG 28 CO 0.00 0.67 0.00 0.00 -1.07 0.00 0.00 179.97 179.57 3bwe n ALA 29 N -2.45 2.20 -0.12 0.04 0.00 -0.74 -4.86 120.51 114.59 3bwe n ALA 29 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3bwe n ALA 29 Cb 0.60 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.67 3bwe n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bwe n GLY 30 N 0.77 0.63 3.77 0.00 0.00 -1.05 -5.02 105.19 104.29 3bwe n GLY 30 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 3bwe n GLY 30 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3bwe s ILE 31 N -2.19 4.86 -0.28 -0.61 2.07 -1.26 -4.59 121.20 119.19 3bwe s ILE 31 Ca 0.00 1.28 -0.27 0.00 -1.41 0.00 0.00 60.65 60.24 3bwe s ILE 31 Cb 0.00 -3.94 0.01 0.00 0.13 0.00 0.00 42.46 38.66 3bwe s ILE 31 CO 0.00 0.44 0.98 -0.54 -1.91 0.00 0.00 174.94 173.91 3bwe s LYS 32 N -0.36 4.11 -0.07 3.50 -0.14 -0.67 -3.84 119.74 122.27 3bwe s LYS 32 Ca 0.31 1.04 -0.02 0.00 -1.36 0.00 0.00 55.97 55.95 3bwe s LYS 32 Cb -0.19 -3.70 -0.03 0.00 -1.68 0.00 0.00 37.83 32.23 3bwe s LYS 32 CO 0.18 -0.74 0.02 0.08 -0.76 0.00 0.00 175.35 174.13 3bwe s VAL 33 N 3.30 4.43 -0.21 3.17 1.01 -1.26 -0.54 120.40 130.30 3bwe s VAL 33 Ca 0.41 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 62.15 3bwe s VAL 33 Cb -0.14 -2.89 0.04 0.00 0.00 0.00 0.00 36.38 33.39 3bwe s VAL 33 CO 0.11 0.56 -0.15 -0.89 0.00 0.00 0.00 175.10 174.74 3bwe s THR 34 N -0.94 2.01 -0.68 3.92 2.01 0.63 -4.93 115.64 117.66 3bwe s THR 34 Ca 0.15 -1.20 -0.23 0.00 0.31 0.00 0.00 61.69 60.72 3bwe s THR 34 Cb -0.11 -1.98 0.07 0.00 0.01 0.00 0.00 72.50 70.49 3bwe s THR 34 CO 0.04 0.26 1.00 -0.69 -0.69 0.00 0.00 174.62 174.54 3bwe s VAL 35 N 1.25 4.27 -0.35 3.82 1.01 -1.26 -1.61 120.40 127.52 3bwe s VAL 35 Ca -0.01 -0.32 -0.19 0.00 0.00 0.00 0.00 61.98 61.46 3bwe s VAL 35 Cb -0.16 -4.71 -0.00 0.00 0.00 0.00 0.00 36.38 31.50 3bwe s VAL 35 CO -0.09 -1.50 0.55 0.00 0.00 0.00 0.00 175.10 174.06 3bwe s ALA 36 N 4.20 3.47 -0.01 5.51 0.00 -0.40 -0.64 121.76 133.88 3bwe s ALA 36 Ca 0.24 -0.97 -0.30 0.00 0.00 0.00 0.00 51.96 50.92 3bwe s ALA 36 Cb -0.16 -3.08 -0.05 0.00 0.00 0.00 0.00 23.12 19.84 3bwe s ALA 36 CO 0.10 -1.28 1.31 0.20 0.00 0.00 0.00 175.76 176.10 3bwe s GLY 37 N 1.78 1.98 0.09 0.00 0.00 0.28 -1.66 107.32 109.78 3bwe s GLY 37 Ca 0.20 0.79 -0.23 0.00 0.00 0.00 0.00 44.72 45.49 3bwe s GLY 37 CO 0.14 2.37 1.71 -2.00 0.00 0.00 0.00 173.10 175.32 3bwe h LEU 38 N 8.14 0.02 0.00 0.66 5.85 -1.50 0.50 115.31 128.97 3bwe h LEU 38 Ca -0.37 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.32 3bwe h LEU 38 Cb 1.18 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.20 3bwe h LEU 38 CO 0.89 0.05 0.00 0.00 -0.34 0.00 0.00 178.44 179.04 3bwe n ALA 39 N -2.11 2.46 0.00 1.25 0.00 -1.26 -4.54 120.51 116.31 3bwe n ALA 39 Ca -0.07 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.22 3bwe n ALA 39 Cb 0.04 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.03 3bwe n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3bwe n GLY 40 N 1.05 0.66 0.06 0.00 0.00 -1.09 -4.85 105.19 101.02 3bwe n GLY 40 Ca 0.16 -1.58 0.12 0.00 0.00 0.00 0.00 46.02 44.71 3bwe n GLY 40 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3bwe n LYS 41 N 0.00 0.40 -0.77 1.61 5.02 -1.26 -3.90 118.16 119.26 3bwe n LYS 41 Ca 0.00 0.05 -0.32 0.00 -2.02 0.00 0.00 58.31 56.01 3bwe n LYS 41 Cb 0.00 -1.68 0.13 0.00 -0.02 0.00 0.00 35.03 33.46 3bwe n LYS 41 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3bwe n ASP 42 N -2.23 -1.40 -4.75 4.39 10.43 -1.26 -4.49 116.55 117.24 3bwe n ASP 42 Ca 0.01 0.36 -0.34 0.00 2.57 0.00 0.00 54.79 57.39 3bwe n ASP 42 Cb 0.48 -1.28 0.05 0.00 1.84 0.00 0.00 41.12 42.21 3bwe n ASP 42 CO 0.00 0.00 0.00 -2.84 -1.07 0.00 0.00 177.20 173.29 3bwe s PRO 43 N -3.89 2.74 -0.13 -0.24 0.02 -1.26 -4.49 135.00 127.75 3bwe s PRO 43 Ca 0.60 1.60 0.00 0.00 0.02 0.00 0.00 61.00 63.22 3bwe s PRO 43 Cb -0.22 -1.92 -0.01 0.00 0.02 0.00 0.00 34.50 32.37 3bwe s PRO 43 CO 0.65 -1.34 -0.15 0.08 -0.33 0.00 0.00 177.00 175.91 3bwe s VAL 44 N -2.03 2.87 -0.30 3.83 1.01 0.60 -4.96 120.40 121.43 3bwe s VAL 44 Ca 0.72 -0.72 -0.19 0.00 0.00 0.00 0.00 61.98 61.79 3bwe s VAL 44 Cb -0.25 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.92 3bwe s VAL 44 CO 0.39 0.53 0.55 -1.58 0.00 0.00 0.00 175.10 174.98 3bwe s GLN 45 N 0.40 3.90 0.22 2.72 0.74 -1.26 -1.16 119.66 125.22 3bwe s GLN 45 Ca -0.12 0.18 -0.03 0.00 0.05 0.00 0.00 55.36 55.45 3bwe s GLN 45 Cb -0.16 -3.72 0.05 0.00 1.10 0.00 0.00 33.01 30.28 3bwe s GLN 45 CO 0.06 -0.50 0.30 0.00 -0.55 0.00 0.00 175.29 174.60 3bwe h SER 47 N -0.34 0.49 -0.28 0.00 4.64 0.88 -2.19 113.55 116.75 3bwe h SER 47 Ca -0.10 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.20 3bwe h SER 47 Cb 0.30 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 3bwe h SER 47 CO 0.08 0.34 0.00 0.54 -0.87 0.00 0.00 176.83 176.92 3bwe n ARG 48 N -4.47 2.95 -1.09 4.77 3.00 -1.26 -4.98 116.66 115.57 3bwe n ARG 48 Ca 0.06 -2.87 -0.03 0.00 -0.01 0.00 0.00 57.85 54.99 3bwe n ARG 48 Cb 0.14 -1.87 -0.01 0.00 0.00 0.00 0.00 32.46 30.72 3bwe n ARG 48 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3bwe n ASP 49 N -0.50 -3.67 -4.79 0.55 8.00 -0.83 -5.03 116.55 110.29 3bwe n ASP 49 Ca 0.22 0.07 -0.38 0.00 0.71 0.00 0.00 54.79 55.41 3bwe n ASP 49 Cb 0.92 -1.43 -0.06 0.00 -0.02 0.00 0.00 41.12 40.53 3bwe n ASP 49 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3bwe s VAL 50 N -2.00 4.38 -0.28 2.53 -7.23 -1.26 -4.71 120.40 111.82 3bwe s VAL 50 Ca 0.00 1.63 -0.10 0.00 -1.81 0.00 0.00 61.98 61.70 3bwe s VAL 50 Cb 0.00 -4.06 -0.03 0.00 0.56 0.00 0.00 36.38 32.85 3bwe s VAL 50 CO 0.00 0.39 0.15 -0.69 -0.31 0.00 0.00 175.10 174.64 3bwe s VAL 51 N -1.31 4.88 -0.07 1.32 1.01 -1.26 -1.76 120.40 123.21 3bwe s VAL 51 Ca 0.40 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.31 3bwe s VAL 51 Cb -0.21 -3.36 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 3bwe s VAL 51 CO 0.25 0.22 -0.06 -0.63 0.00 0.00 0.00 175.10 174.88 3bwe s ILE 52 N 1.69 3.79 -0.26 2.22 1.01 -0.31 -4.88 121.20 124.46 3bwe s ILE 52 Ca 0.06 -0.46 -0.10 0.00 0.00 0.00 0.00 60.65 60.15 3bwe s ILE 52 Cb -0.16 -2.56 -0.05 0.00 0.01 0.00 0.00 42.46 39.70 3bwe s ILE 52 CO 0.08 0.59 0.15 0.00 0.00 0.00 0.00 174.94 175.76 3bwe s PRO 54 N 1.48 2.94 0.34 0.00 0.02 -1.26 -4.91 135.00 133.61 3bwe s PRO 54 Ca 0.07 1.89 0.16 0.00 0.02 0.00 0.00 61.00 63.14 3bwe s PRO 54 Cb -0.15 -1.95 0.57 0.00 0.02 0.00 0.00 34.50 33.00 3bwe s PRO 54 CO 0.07 -1.25 1.69 -0.44 -0.33 0.00 0.00 177.00 176.75 3bwe h ASP 55 N 0.90 0.00 -5.55 2.53 3.45 -1.26 -3.47 116.42 113.02 3bwe h ASP 55 Ca -0.51 0.00 0.26 0.00 0.43 0.00 0.00 57.03 57.21 3bwe h ASP 55 Cb 1.30 0.00 -0.10 0.00 -0.56 0.00 0.00 39.33 39.97 3bwe h ASP 55 CO 0.55 0.44 0.68 0.00 -1.57 0.00 0.00 179.24 179.34 3bwe s ALA 56 N -3.59 -1.98 0.66 3.45 0.00 -1.20 -5.01 121.76 114.10 3bwe s ALA 56 Ca -0.00 0.46 -0.11 0.00 0.00 0.00 0.00 51.96 52.31 3bwe s ALA 56 Cb 0.11 0.48 -0.01 0.00 0.00 0.00 0.00 23.12 23.70 3bwe s ALA 56 CO 0.71 -1.04 1.06 -1.54 0.00 0.00 0.00 175.76 174.95 3bwe s SER 57 N -2.95 5.83 0.39 0.00 1.04 -1.25 -0.56 113.70 116.20 3bwe s SER 57 Ca 0.13 1.32 0.13 0.00 0.48 0.00 0.00 55.95 58.01 3bwe s SER 57 Cb 0.02 -2.25 0.78 0.00 0.10 0.00 0.00 66.02 64.67 3bwe s SER 57 CO -0.01 -1.11 1.86 0.25 0.98 0.00 0.00 173.24 175.20 3bwe h LEU 58 N -0.49 0.00 -0.68 2.42 6.46 -0.23 -1.20 115.31 121.59 3bwe h LEU 58 Ca -0.44 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.31 3bwe h LEU 58 Cb 1.22 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.12 3bwe h LEU 58 CO 0.62 0.34 0.40 -0.08 -0.62 0.00 0.00 178.44 179.10 3bwe h GLU 59 N 0.00 0.92 0.00 1.25 4.81 -1.86 -1.02 114.58 118.68 3bwe h GLU 59 Ca -0.00 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.14 3bwe h GLU 59 Cb 0.60 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.79 3bwe h GLU 59 CO 0.04 0.67 -0.01 -0.44 -0.73 0.00 0.00 179.01 178.54 3bwe h ASP 60 N 0.92 0.00 -1.09 1.04 3.45 -1.88 -3.33 116.42 115.53 3bwe h ASP 60 Ca 0.24 -0.46 0.31 0.00 0.43 0.00 0.00 57.03 57.55 3bwe h ASP 60 Cb -0.01 0.00 -0.06 0.00 -0.56 0.00 0.00 39.33 38.70 3bwe h ASP 60 CO -0.04 0.73 0.76 0.00 -1.57 0.00 0.00 179.24 179.12 3bwe h ALA 61 N -0.54 2.83 0.00 3.45 0.00 -1.28 0.76 119.26 124.48 3bwe h ALA 61 Ca -0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3bwe h ALA 61 Cb 0.47 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3bwe h ALA 61 CO -0.00 -1.17 -0.21 -0.22 0.00 0.00 0.00 179.25 177.65 3bwe h LYS 62 N 0.11 0.00 -0.63 0.00 3.64 -1.29 -2.31 116.57 116.09 3bwe h LYS 62 Ca 0.55 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.93 3bwe h LYS 62 Cb 1.95 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.77 3bwe h LYS 62 CO -0.08 0.21 0.00 1.63 -2.27 0.00 0.00 179.45 178.93 3bwe n LYS 63 N -3.98 2.66 -3.73 1.90 5.02 0.26 -4.63 118.16 115.67 3bwe n LYS 63 Ca -0.02 -1.61 -0.33 0.00 -2.02 0.00 0.00 58.31 54.33 3bwe n LYS 63 Cb 0.29 -1.68 -0.09 0.00 -0.02 0.00 0.00 35.03 33.53 3bwe n LYS 63 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3bwe s GLU 64 N -1.77 2.96 0.26 1.97 2.12 -0.87 -5.07 118.70 118.30 3bwe s GLU 64 Ca 0.28 -3.26 0.00 0.00 0.36 0.00 0.00 54.97 52.36 3bwe s GLU 64 Cb 0.19 -3.76 0.00 0.00 0.26 0.00 0.00 34.13 30.82 3bwe s GLU 64 CO 0.12 -1.26 0.00 0.41 -0.54 0.00 0.00 175.26 173.99 3bwe n GLY 65 N 2.28 0.26 3.81 -1.50 0.00 -1.26 -4.73 105.19 104.06 3bwe n GLY 65 Ca 0.20 -0.54 -0.39 0.00 0.00 0.00 0.00 46.02 45.30 3bwe n GLY 65 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3bwe s PRO 66 N 0.00 4.19 -0.06 1.61 0.04 -1.26 -4.99 135.00 134.52 3bwe s PRO 66 Ca 0.00 0.72 -0.03 0.00 0.04 0.00 0.00 61.00 61.72 3bwe s PRO 66 Cb 0.00 -3.24 -0.04 0.00 0.04 0.00 0.00 34.50 31.26 3bwe s PRO 66 CO 0.00 0.63 0.09 0.71 0.04 0.00 0.00 177.00 178.48 3bwe s TYR 67 N -1.07 3.39 -0.04 0.56 2.02 -1.26 -4.95 117.35 116.00 3bwe s TYR 67 Ca 0.29 0.33 0.31 0.00 -0.37 0.00 0.00 57.07 57.63 3bwe s TYR 67 Cb -0.19 -1.83 1.25 0.00 -0.40 0.00 0.00 41.96 40.79 3bwe s TYR 67 CO 0.19 0.60 1.92 -0.44 -1.57 0.00 0.00 175.55 176.25 3bwe h ASP 68 N 4.62 0.00 -4.14 2.29 3.32 -1.64 -3.44 116.42 117.43 3bwe h ASP 68 Ca -0.51 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.48 3bwe h ASP 68 Cb 1.20 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.54 3bwe h ASP 68 CO 0.60 0.00 0.09 0.54 -1.72 0.00 0.00 179.24 178.74 3bwe s VAL 69 N -3.58 0.00 -0.19 -1.35 0.11 -1.16 -3.60 120.40 110.64 3bwe s VAL 69 Ca 0.02 -0.01 -0.01 0.00 -2.93 0.00 0.00 61.98 59.06 3bwe s VAL 69 Cb 0.09 -0.94 0.01 0.00 -1.53 0.00 0.00 36.38 34.00 3bwe s VAL 69 CO 0.52 -0.00 -0.14 -0.69 -3.33 0.00 0.00 175.10 171.46 3bwe s VAL 70 N 0.11 2.62 -0.10 2.04 1.01 -0.86 -1.86 120.40 123.37 3bwe s VAL 70 Ca -0.02 -0.76 0.02 0.00 0.00 0.00 0.00 61.98 61.22 3bwe s VAL 70 Cb -0.04 -2.14 -0.02 0.00 0.00 0.00 0.00 36.38 34.19 3bwe s VAL 70 CO 0.02 0.50 -0.16 0.68 0.00 0.00 0.00 175.10 176.14 3bwe s VAL 71 N 1.22 2.86 -0.29 2.92 -7.23 -0.13 -0.56 120.40 119.19 3bwe s VAL 71 Ca 0.02 -0.75 -0.03 0.00 -1.81 0.00 0.00 61.98 59.41 3bwe s VAL 71 Cb -0.14 -2.16 0.03 0.00 0.56 0.00 0.00 36.38 34.67 3bwe s VAL 71 CO -0.07 0.55 0.01 -0.76 -0.31 0.00 0.00 175.10 174.52 3bwe s LEU 72 N 0.02 3.71 1.19 1.32 1.43 0.94 -2.47 118.68 124.81 3bwe s LEU 72 Ca -0.05 -1.00 -0.17 0.00 -1.03 0.00 0.00 54.13 51.88 3bwe s LEU 72 Cb -0.15 -1.75 0.28 0.00 0.03 0.00 0.00 46.19 44.60 3bwe s LEU 72 CO 0.04 -0.21 1.05 -2.84 0.23 0.00 0.00 176.35 174.63 3bwe s PRO 73 N 1.35 -1.11 0.00 1.29 0.02 -1.26 -2.56 135.00 132.73 3bwe s PRO 73 Ca -0.01 0.30 0.00 0.00 0.02 0.00 0.00 61.00 61.31 3bwe s PRO 73 Cb -0.18 -1.58 0.00 0.00 0.02 0.00 0.00 34.50 32.76 3bwe s PRO 73 CO -0.01 -3.72 0.00 0.41 -0.33 0.00 0.00 177.00 173.36 3bwe n GLY 74 N -0.15 1.64 0.04 0.52 0.00 -1.14 -4.00 105.19 102.10 3bwe n GLY 74 Ca 0.08 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.33 3bwe n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bwe n GLY 75 N 5.00 0.88 0.41 -0.02 0.00 -1.26 -2.08 105.19 108.13 3bwe n GLY 75 Ca 0.00 -1.17 -0.10 0.00 0.00 0.00 0.00 46.02 44.75 3bwe n GLY 75 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3bwe h ASN 76 N 0.00 -1.75 -0.21 1.61 -0.73 -1.96 0.29 115.58 112.83 3bwe h ASN 76 Ca 0.00 0.27 -0.05 0.00 1.87 0.00 0.00 56.30 58.39 3bwe h ASN 76 Cb 0.00 0.78 -0.01 0.00 0.27 0.00 0.00 38.32 39.36 3bwe h ASN 76 CO 0.00 -0.32 -0.06 0.25 -0.37 0.00 0.00 177.43 176.93 3bwe h LEU 77 N -0.19 0.42 -0.40 0.34 6.46 -1.86 -2.53 115.31 117.55 3bwe h LEU 77 Ca 0.17 -0.38 0.02 0.00 -0.12 0.00 0.00 57.88 57.57 3bwe h LEU 77 Cb 0.54 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.32 3bwe h LEU 77 CO -0.76 0.70 0.22 1.23 -0.62 0.00 0.00 178.44 179.20 3bwe h GLY 78 N 0.13 0.55 1.06 3.75 0.00 -0.73 0.17 103.07 108.00 3bwe h GLY 78 Ca 0.05 -0.16 -0.05 0.00 0.00 0.00 0.00 47.33 47.18 3bwe h GLY 78 CO 0.02 0.13 0.30 0.00 0.00 0.00 0.00 176.54 176.99 3bwe h ALA 79 N 1.19 1.04 0.15 3.60 0.00 -0.50 -0.12 119.26 124.62 3bwe h ALA 79 Ca 0.16 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3bwe h ALA 79 Cb 0.04 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 3bwe h ALA 79 CO -0.10 0.67 -0.10 0.37 0.00 0.00 0.00 179.25 180.09 3bwe h GLN 80 N 1.15 -0.25 -0.92 0.00 4.15 -0.91 0.52 115.11 118.85 3bwe h GLN 80 Ca 0.26 0.02 0.08 0.00 0.77 0.00 0.00 58.65 59.78 3bwe h GLN 80 Cb 0.24 0.06 -0.07 0.00 0.21 0.00 0.00 27.48 27.92 3bwe h GLN 80 CO -0.02 -0.16 0.58 -0.91 -1.93 0.00 0.00 178.83 176.38 3bwe h ASN 81 N -0.25 0.89 -0.42 -0.69 2.35 -0.34 -0.28 115.58 116.83 3bwe h ASN 81 Ca -0.01 0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.71 3bwe h ASN 81 Cb 0.22 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 3bwe h ASN 81 CO 0.01 0.54 0.04 -0.07 -1.65 0.00 0.00 177.43 176.30 3bwe h LEU 82 N 1.01 0.70 -1.10 1.61 3.38 -0.47 -2.82 115.31 117.62 3bwe h LEU 82 Ca 0.42 -0.28 0.04 0.00 0.09 0.00 0.00 57.88 58.14 3bwe h LEU 82 Cb 0.26 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 3bwe h LEU 82 CO -0.20 0.81 0.61 0.28 0.09 0.00 0.00 178.44 180.03 3bwe h SER 83 N 0.56 1.00 -0.31 -0.43 0.02 0.14 -2.46 113.55 112.08 3bwe h SER 83 Ca 0.12 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3bwe h SER 83 Cb 0.43 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.74 3bwe h SER 83 CO 0.01 0.68 0.00 -0.62 -1.14 0.00 0.00 176.83 175.77 3bwe n GLU 84 N -4.45 1.78 -3.51 3.45 1.02 -0.25 -4.76 120.64 113.92 3bwe n GLU 84 Ca 0.13 -1.21 -0.40 0.00 -0.02 0.00 0.00 57.16 55.65 3bwe n GLU 84 Cb 0.11 -1.30 -0.10 0.00 -0.02 0.00 0.00 31.44 30.13 3bwe n GLU 84 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3bwe s SER 85 N -1.14 6.08 0.36 1.62 0.15 -0.93 -4.95 113.70 114.90 3bwe s SER 85 Ca 0.25 -0.37 0.05 0.00 0.70 0.00 0.00 55.95 56.58 3bwe s SER 85 Cb 0.13 -2.15 0.71 0.00 -1.71 0.00 0.00 66.02 63.01 3bwe s SER 85 CO 0.18 -0.24 1.98 0.00 1.20 0.00 0.00 173.24 176.36 3bwe h ALA 86 N 8.48 1.65 -0.45 5.45 0.00 -1.89 0.70 119.26 133.20 3bwe h ALA 86 Ca -0.31 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 3bwe h ALA 86 Cb 1.16 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 3bwe h ALA 86 CO 0.64 0.26 0.26 0.00 0.00 0.00 0.00 179.25 180.41 3bwe h ALA 87 N 1.61 0.57 -0.60 0.00 0.00 -1.95 -1.65 119.26 117.24 3bwe h ALA 87 Ca 0.28 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 3bwe h ALA 87 Cb 0.13 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3bwe h ALA 87 CO -0.08 0.07 0.01 0.28 0.00 0.00 0.00 179.25 179.53 3bwe h VAL 88 N 0.59 1.27 -0.66 0.00 2.07 -1.45 -2.51 116.25 115.57 3bwe h VAL 88 Ca 0.16 -1.14 0.05 0.00 0.82 0.00 0.00 66.70 66.59 3bwe h VAL 88 Cb 0.01 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 30.54 3bwe h VAL 88 CO -0.03 0.41 0.37 0.50 0.02 0.00 0.00 177.57 178.85 3bwe h LYS 89 N 0.95 0.68 -0.24 1.57 3.64 -0.55 -0.61 116.57 122.00 3bwe h LYS 89 Ca 0.17 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.46 3bwe h LYS 89 Cb 0.55 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 3bwe h LYS 89 CO 0.03 0.45 -0.04 1.49 -2.27 0.00 0.00 179.45 179.11 3bwe h GLU 90 N 0.70 0.46 -0.45 1.90 4.81 -1.17 -1.14 114.58 119.69 3bwe h GLU 90 Ca 0.29 -0.16 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3bwe h GLU 90 Cb 0.15 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 3bwe h GLU 90 CO -0.17 0.66 0.28 0.82 -0.73 0.00 0.00 179.01 179.87 3bwe h ILE 91 N 0.21 1.14 -0.44 2.32 2.04 -1.20 -0.87 117.51 120.69 3bwe h ILE 91 Ca 0.06 -0.30 -0.09 0.00 1.00 0.00 0.00 64.86 65.53 3bwe h ILE 91 Cb 0.48 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 3bwe h ILE 91 CO 0.02 0.14 -0.09 -0.07 0.00 0.00 0.00 178.15 178.15 3bwe h LEU 92 N 0.60 0.85 -0.20 1.44 3.38 -1.10 0.13 115.31 120.41 3bwe h LEU 92 Ca 0.16 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3bwe h LEU 92 Cb -0.02 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 3bwe h LEU 92 CO -0.03 1.00 0.13 0.50 0.09 0.00 0.00 178.44 180.13 3bwe h LYS 93 N 0.68 0.27 -0.18 1.13 1.63 -1.04 -1.66 116.57 117.41 3bwe h LYS 93 Ca 0.11 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.88 3bwe h LYS 93 Cb 0.62 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.18 3bwe h LYS 93 CO 0.04 0.21 0.07 1.49 -3.45 0.00 0.00 179.45 177.81 3bwe h GLU 94 N 0.26 0.27 -0.87 1.90 4.81 -1.06 -1.61 114.58 118.27 3bwe h GLU 94 Ca 0.07 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.30 3bwe h GLU 94 Cb -0.00 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.28 3bwe h GLU 94 CO -0.01 0.35 0.56 0.37 -0.73 0.00 0.00 179.01 179.54 3bwe h GLN 95 N 0.13 1.03 0.94 1.92 5.75 -0.88 0.13 115.11 124.13 3bwe h GLN 95 Ca 0.06 -0.06 -0.05 0.00 -0.15 0.00 0.00 58.65 58.45 3bwe h GLN 95 Cb 0.18 -0.23 0.01 0.00 1.07 0.00 0.00 27.48 28.51 3bwe h GLN 95 CO -0.00 0.68 -0.45 1.49 -2.65 0.00 0.00 178.83 177.89 3bwe h GLU 96 N 1.06 -1.22 -0.81 1.69 4.81 -1.07 0.48 114.58 119.52 3bwe h GLU 96 Ca 0.36 0.08 0.10 0.00 -0.13 0.00 0.00 59.36 59.77 3bwe h GLU 96 Cb 0.05 0.28 -0.06 0.00 0.63 0.00 0.00 28.75 29.65 3bwe h GLU 96 CO -0.13 -0.81 0.53 -0.91 -0.73 0.00 0.00 179.01 176.95 3bwe h ASN 97 N -1.26 0.66 0.16 1.04 -0.26 -1.02 0.42 115.58 115.31 3bwe h ASN 97 Ca -0.13 0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.63 3bwe h ASN 97 Cb 0.97 -0.12 0.00 0.00 -1.06 0.00 0.00 38.32 38.11 3bwe h ASN 97 CO 0.21 0.39 0.00 -1.14 -1.06 0.00 0.00 177.43 175.83 3bwe n ARG 98 N -4.51 0.44 -2.83 0.81 0.63 0.43 -4.84 116.66 106.79 3bwe n ARG 98 Ca 0.14 0.05 -0.14 0.00 -0.92 0.00 0.00 57.85 56.98 3bwe n ARG 98 Cb 0.34 -1.50 0.03 0.00 0.45 0.00 0.00 32.46 31.78 3bwe n ARG 98 CO 0.00 0.00 0.00 0.36 -2.51 0.00 0.00 177.63 175.48 3bwe n LYS 99 N -1.13 -3.48 -3.75 -0.14 -0.00 0.15 -5.00 118.16 104.80 3bwe n LYS 99 Ca 0.12 0.56 -0.37 0.00 -0.00 0.00 0.00 58.31 58.61 3bwe n LYS 99 Cb 0.10 -4.69 -0.06 0.00 -0.00 0.00 0.00 35.03 30.38 3bwe n LYS 99 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 3bwe s GLY 100 N -2.90 2.27 0.22 2.58 0.00 0.16 -5.02 107.32 104.63 3bwe s GLY 100 Ca 0.23 -0.50 -0.32 0.00 0.00 0.00 0.00 44.72 44.13 3bwe s GLY 100 CO 0.28 -0.22 1.66 -0.10 0.00 0.00 0.00 173.10 174.73 3bwe n LEU 101 N 1.83 3.91 -4.26 0.66 7.94 -1.24 -4.45 117.00 121.40 3bwe n LEU 101 Ca -0.17 1.09 -0.32 0.00 -1.11 0.00 0.00 56.01 55.50 3bwe n LEU 101 Cb 0.54 -1.55 -0.16 0.00 0.53 0.00 0.00 43.42 42.77 3bwe n LEU 101 CO 0.34 0.08 -0.55 -0.63 -1.11 0.00 0.00 177.39 175.53 3bwe s ILE 102 N 0.83 2.19 -0.11 1.96 1.01 -0.64 -2.03 121.20 124.42 3bwe s ILE 102 Ca 0.73 -0.99 0.00 0.00 0.00 0.00 0.00 60.65 60.39 3bwe s ILE 102 Cb -0.53 -1.83 0.02 0.00 0.01 0.00 0.00 42.46 40.13 3bwe s ILE 102 CO 0.37 0.56 -0.09 0.00 0.00 0.00 0.00 174.94 175.78 3bwe s ALA 103 N 0.13 1.35 0.16 9.38 0.00 0.27 0.18 121.76 133.24 3bwe s ALA 103 Ca -0.12 -0.55 0.09 0.00 0.00 0.00 0.00 51.96 51.38 3bwe s ALA 103 Cb -0.16 -0.86 -0.04 0.00 0.00 0.00 0.00 23.12 22.06 3bwe s ALA 103 CO 0.06 -0.32 -0.19 0.00 0.00 0.00 0.00 175.76 175.31 3bwe s ALA 104 N 1.51 2.06 -0.04 0.00 0.00 0.17 -0.04 121.76 125.42 3bwe s ALA 104 Ca 0.02 -1.49 -0.09 0.00 0.00 0.00 0.00 51.96 50.40 3bwe s ALA 104 Cb -0.13 -0.21 0.01 0.00 0.00 0.00 0.00 23.12 22.79 3bwe s ALA 104 CO -0.06 0.28 0.21 -1.50 0.00 0.00 0.00 175.76 174.69 3bwe s ILE 105 N -1.90 0.05 0.00 0.00 2.07 -1.06 -2.18 121.20 118.17 3bwe s ILE 105 Ca 0.15 -0.37 0.00 0.00 -1.41 0.00 0.00 60.65 59.02 3bwe s ILE 105 Cb -0.06 -0.43 0.00 0.00 0.13 0.00 0.00 42.46 42.09 3bwe s ILE 105 CO 0.07 -0.21 0.00 0.00 -1.91 0.00 0.00 174.94 172.89 3bwe n ALA 107 N 7.32 3.35 -0.32 0.00 0.00 -1.26 -1.15 120.51 128.44 3bwe n ALA 107 Ca 0.00 -0.43 0.19 0.00 0.00 0.00 0.00 53.44 53.20 3bwe n ALA 107 Cb 0.00 -0.92 0.40 0.00 0.00 0.00 0.00 19.45 18.93 3bwe n ALA 107 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3bwe h GLY 108 N 4.44 1.81 1.84 0.00 0.00 -1.07 0.82 103.07 110.90 3bwe h GLY 108 Ca 0.00 -0.18 0.01 0.00 0.00 0.00 0.00 47.33 47.16 3bwe h GLY 108 CO 0.00 -0.41 0.07 -0.56 0.00 0.00 0.00 176.54 175.63 3bwe h PRO 109 N 0.33 0.00 0.00 4.80 0.13 -1.77 -0.71 132.00 134.78 3bwe h PRO 109 Ca 0.66 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.79 3bwe h PRO 109 Cb 1.42 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.55 3bwe h PRO 109 CO -0.60 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 177.42 3bwe n THR 110 N -3.70 0.00 0.05 1.56 -2.24 0.28 -0.54 114.28 109.70 3bwe n THR 110 Ca -0.02 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.78 3bwe n THR 110 Cb 0.16 -0.79 -0.06 0.00 -2.10 0.00 0.00 70.33 67.53 3bwe n THR 110 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3bwe h ALA 111 N 2.70 0.63 -0.29 6.98 0.00 -1.29 -2.96 119.26 125.03 3bwe h ALA 111 Ca 0.00 -0.67 -0.16 0.00 0.00 0.00 0.00 54.91 54.08 3bwe h ALA 111 Cb 0.00 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3bwe h ALA 111 CO 0.00 0.74 -0.46 -0.07 0.00 0.00 0.00 179.25 179.46 3bwe h LEU 112 N 0.00 0.83 0.18 0.00 3.38 -0.97 -2.53 115.31 116.20 3bwe h LEU 112 Ca -0.12 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.44 3bwe h LEU 112 Cb 1.47 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3bwe h LEU 112 CO 0.04 1.16 -0.09 0.25 0.09 0.00 0.00 178.44 179.89 3bwe h LEU 113 N 0.61 -0.21 -1.98 1.67 5.85 -1.61 0.49 115.31 120.14 3bwe h LEU 113 Ca 0.04 -0.11 0.14 0.00 0.84 0.00 0.00 57.88 58.78 3bwe h LEU 113 Cb 1.02 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.09 3bwe h LEU 113 CO 0.10 -0.02 0.35 0.00 -0.34 0.00 0.00 178.44 178.53 3bwe h ALA 114 N 0.40 2.43 -0.43 1.25 0.00 -1.48 -0.66 119.26 120.77 3bwe h ALA 114 Ca -0.03 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 3bwe h ALA 114 Cb 0.30 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.04 3bwe h ALA 114 CO 0.04 -0.57 0.07 0.72 0.00 0.00 0.00 179.25 179.51 3bwe n HIS 115 N -4.40 1.42 -4.11 0.00 8.25 -0.95 -4.99 115.22 110.43 3bwe n HIS 115 Ca 0.09 -1.26 -0.39 0.00 -0.26 0.00 0.00 57.72 55.90 3bwe n HIS 115 Cb 0.55 -0.49 -0.02 0.00 1.12 0.00 0.00 29.99 31.15 3bwe n HIS 115 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3bwe n GLU 116 N -0.71 -0.84 -4.33 -0.41 1.02 -0.25 -4.89 120.64 110.23 3bwe n GLU 116 Ca 0.32 0.14 -0.27 0.00 -0.02 0.00 0.00 57.16 57.33 3bwe n GLU 116 Cb 1.09 -3.19 -0.10 0.00 -0.02 0.00 0.00 31.44 29.21 3bwe n GLU 116 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3bwe s ILE 117 N -3.84 2.87 -0.41 -3.67 1.01 0.00 -4.68 121.20 112.49 3bwe s ILE 117 Ca 0.29 -1.72 0.00 0.00 0.00 0.00 0.00 60.65 59.22 3bwe s ILE 117 Cb -0.15 -2.39 0.00 0.00 0.01 0.00 0.00 42.46 39.93 3bwe s ILE 117 CO 0.96 -0.06 0.00 0.61 0.00 0.00 0.00 174.94 176.46 3bwe n GLY 118 N 0.30 0.37 3.68 6.18 0.00 -1.26 -4.63 105.19 109.82 3bwe n GLY 118 Ca -0.12 -0.00 -0.63 0.00 0.00 0.00 0.00 46.02 45.26 3bwe n GLY 118 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3bwe n PHE 119 N -2.09 1.58 -0.18 1.61 3.01 -1.26 0.28 117.46 120.41 3bwe n PHE 119 Ca -0.04 0.97 0.00 0.00 1.01 0.00 0.00 57.45 59.39 3bwe n PHE 119 Cb 0.53 -2.26 0.00 0.00 -0.01 0.00 0.00 39.48 37.74 3bwe n PHE 119 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3bwe n GLY 120 N 3.43 0.65 3.88 1.37 0.00 0.19 -5.00 105.19 109.71 3bwe n GLY 120 Ca 0.27 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.98 3bwe n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3bwe s SER 121 N -2.82 6.61 0.01 1.61 0.01 0.14 -4.72 113.70 114.55 3bwe s SER 121 Ca 0.00 0.95 -0.30 0.00 1.31 0.00 0.00 55.95 57.91 3bwe s SER 121 Cb 0.00 -2.24 -0.03 0.00 0.21 0.00 0.00 66.02 63.96 3bwe s SER 121 CO 0.00 -0.13 1.01 -0.75 0.41 0.00 0.00 173.24 173.78 3bwe s LYS 122 N -3.02 4.54 0.09 12.44 2.20 -1.26 -2.29 119.74 132.45 3bwe s LYS 122 Ca 0.48 1.47 -0.01 0.00 -0.36 0.00 0.00 55.97 57.55 3bwe s LYS 122 Cb -0.11 -3.44 -0.04 0.00 -1.51 0.00 0.00 37.83 32.73 3bwe s LYS 122 CO 0.23 -0.07 0.02 0.14 -0.36 0.00 0.00 175.35 175.30 3bwe s VAL 123 N 0.99 0.17 0.08 4.02 -7.23 0.10 -4.44 120.40 114.10 3bwe s VAL 123 Ca 0.53 -1.82 0.02 0.00 -1.81 0.00 0.00 61.98 58.90 3bwe s VAL 123 Cb -0.22 -1.73 -0.04 0.00 0.56 0.00 0.00 36.38 34.95 3bwe s VAL 123 CO 0.28 -0.76 -0.07 0.28 -0.31 0.00 0.00 175.10 174.51 3bwe s THR 124 N -3.97 0.68 0.03 5.32 -1.32 -1.26 0.14 115.64 115.26 3bwe s THR 124 Ca 0.14 -1.62 -0.00 0.00 -1.21 0.00 0.00 61.69 59.00 3bwe s THR 124 Cb 0.08 -1.29 0.00 0.00 -1.51 0.00 0.00 72.50 69.77 3bwe s THR 124 CO -0.05 -0.67 0.04 0.35 -2.21 0.00 0.00 174.62 172.08 3bwe n THR 125 N 0.52 0.00 -2.24 5.08 -2.24 -1.26 -4.17 114.28 109.97 3bwe n THR 125 Ca -0.16 -0.15 -0.39 0.00 -2.27 0.00 0.00 64.05 61.08 3bwe n THR 125 Cb 0.58 0.09 -0.02 0.00 -2.10 0.00 0.00 70.33 68.89 3bwe n THR 125 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3bwe s HIS 126 N -4.85 3.04 0.27 4.78 2.46 -0.30 -4.36 115.29 116.31 3bwe s HIS 126 Ca 0.02 1.52 -0.00 0.00 0.47 0.00 0.00 55.06 57.07 3bwe s HIS 126 Cb -0.00 -3.46 0.59 0.00 -0.13 0.00 0.00 32.58 29.58 3bwe s HIS 126 CO 0.02 -1.48 1.70 -1.35 -2.47 0.00 0.00 174.74 171.16 3bwe h PRO 127 N 2.74 0.37 0.00 2.88 0.11 -1.92 0.48 132.00 136.66 3bwe h PRO 127 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3bwe h PRO 127 Cb 1.24 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3bwe h PRO 127 CO 0.63 0.24 0.00 1.28 -0.21 0.00 0.00 178.00 179.94 3bwe n LEU 128 N -5.07 0.00 0.01 2.35 4.77 -1.26 -2.62 117.00 115.18 3bwe n LEU 128 Ca 0.18 0.39 0.11 0.00 -0.03 0.00 0.00 56.01 56.66 3bwe n LEU 128 Cb 0.55 -0.39 -0.06 0.00 -2.33 0.00 0.00 43.42 41.18 3bwe n LEU 128 CO 0.14 -0.15 -0.19 0.00 -1.33 0.00 0.00 177.39 175.86 3bwe n ALA 129 N -1.39 3.66 -0.20 -1.18 0.00 0.16 -4.47 120.51 117.09 3bwe n ALA 129 Ca 0.07 -0.49 0.01 0.00 0.00 0.00 0.00 53.44 53.03 3bwe n ALA 129 Cb 0.18 -0.86 0.11 0.00 0.00 0.00 0.00 19.45 18.87 3bwe n ALA 129 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3bwe h LYS 130 N 0.00 0.16 -0.26 0.00 3.64 -1.20 -2.81 116.57 116.10 3bwe h LYS 130 Ca 0.00 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.41 3bwe h LYS 130 Cb 0.72 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.44 3bwe h LYS 130 CO 0.00 0.10 -0.51 0.22 -2.27 0.00 0.00 179.45 177.00 3bwe h ASP 131 N 0.16 -1.66 -0.05 4.20 3.58 -1.80 -3.41 116.42 117.45 3bwe h ASP 131 Ca 0.32 0.21 -0.37 0.00 0.42 0.00 0.00 57.03 57.61 3bwe h ASP 131 Cb 0.52 0.66 0.08 0.00 1.72 0.00 0.00 39.33 42.31 3bwe h ASP 131 CO -0.49 -0.41 0.95 1.17 -2.88 0.00 0.00 179.24 177.58 3bwe n LYS 132 N -5.17 0.24 0.00 0.28 4.81 -1.06 -4.97 118.16 112.29 3bwe n LYS 132 Ca -0.04 -1.40 0.00 0.00 -0.87 0.00 0.00 58.31 56.00 3bwe n LYS 132 Cb 0.33 -3.11 0.00 0.00 0.02 0.00 0.00 35.03 32.27 3bwe n LYS 132 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 3bwe n ASN 135 N 13.07 0.00 0.00 3.14 5.15 -1.26 -5.08 115.26 130.27 3bwe n ASN 135 Ca 0.45 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.43 3bwe n ASN 135 Cb 0.44 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.69 3bwe n ASN 135 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3bwe n GLY 136 N 0.52 0.59 2.74 8.20 0.00 -1.26 -4.48 105.19 111.50 3bwe n GLY 136 Ca 0.00 -0.79 -0.06 0.00 0.00 0.00 0.00 46.02 45.17 3bwe n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3bwe n GLY 137 N -2.36 -0.03 0.09 -0.02 0.00 -1.26 -4.78 105.19 96.83 3bwe n GLY 137 Ca 0.00 0.03 0.14 0.00 0.00 0.00 0.00 46.02 46.20 3bwe n GLY 137 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3bwe n HIS 138 N -1.61 0.00 -3.99 1.61 8.25 -1.26 -4.88 115.22 113.33 3bwe n HIS 138 Ca -0.05 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.31 3bwe n HIS 138 Cb 0.13 -0.18 -0.08 0.00 1.12 0.00 0.00 29.99 30.98 3bwe n HIS 138 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3bwe s TYR 139 N -2.44 0.47 -0.08 4.41 1.51 -1.26 0.56 117.35 120.53 3bwe s TYR 139 Ca 0.31 -0.85 -0.09 0.00 -1.01 0.00 0.00 57.07 55.42 3bwe s TYR 139 Cb 0.20 -0.15 -0.05 0.00 -0.11 0.00 0.00 41.96 41.85 3bwe s TYR 139 CO 0.46 -0.65 0.23 0.99 -1.11 0.00 0.00 175.55 175.46 3bwe s THR 140 N -3.97 5.36 0.07 -0.71 2.01 -0.97 -4.96 115.64 112.47 3bwe s THR 140 Ca 0.17 0.41 -0.06 0.00 0.31 0.00 0.00 61.69 62.53 3bwe s THR 140 Cb 0.04 -3.50 -0.05 0.00 0.01 0.00 0.00 72.50 69.00 3bwe s THR 140 CO -0.01 0.61 0.32 -0.47 -0.69 0.00 0.00 174.62 174.38 3bwe s TYR 141 N -1.04 3.54 0.15 4.92 5.04 -1.26 0.02 117.35 128.72 3bwe s TYR 141 Ca 0.18 0.57 0.07 0.00 -2.44 0.00 0.00 57.07 55.45 3bwe s TYR 141 Cb -0.13 -2.00 -0.04 0.00 0.35 0.00 0.00 41.96 40.13 3bwe s TYR 141 CO 0.07 0.53 -0.15 0.45 -1.34 0.00 0.00 175.55 175.11 3bwe s SER 142 N -2.05 2.25 -0.03 4.32 0.15 0.37 -4.80 113.70 113.91 3bwe s SER 142 Ca 0.34 -0.88 0.04 0.00 0.70 0.00 0.00 55.95 56.16 3bwe s SER 142 Cb -0.13 -0.10 0.07 0.00 -1.71 0.00 0.00 66.02 64.15 3bwe s SER 142 CO 0.21 -0.14 1.01 -0.62 1.20 0.00 0.00 173.24 174.90 3bwe n GLU 143 N 0.26 2.39 -2.21 5.44 1.02 -1.26 -4.36 120.64 121.92 3bwe n GLU 143 Ca -0.13 -1.70 -0.40 0.00 -0.02 0.00 0.00 57.16 54.91 3bwe n GLU 143 Cb 0.58 -1.08 -0.03 0.00 -0.02 0.00 0.00 31.44 30.89 3bwe n GLU 143 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3bwe s ASN 144 N -1.39 6.85 0.25 1.62 0.01 -1.26 -4.91 114.94 116.11 3bwe s ASN 144 Ca 0.08 2.57 -0.03 0.00 -0.71 0.00 0.00 52.86 54.77 3bwe s ASN 144 Cb 0.07 -2.64 0.47 0.00 0.41 0.00 0.00 41.25 39.56 3bwe s ASN 144 CO 0.01 -0.46 1.77 0.03 -1.51 0.00 0.00 177.10 176.93 3bwe h ARG 145 N 3.41 0.59 -4.76 -0.60 3.08 -1.95 -3.39 114.38 110.76 3bwe h ARG 145 Ca -0.48 -0.04 -0.57 0.00 0.07 0.00 0.00 59.98 58.96 3bwe h ARG 145 Cb 1.22 -0.13 -0.34 0.00 0.08 0.00 0.00 29.97 30.80 3bwe h ARG 145 CO 0.65 0.39 -0.83 0.08 -1.07 0.00 0.00 179.97 179.19 3bwe s VAL 146 N -6.00 1.42 -0.14 2.04 1.01 -1.26 -2.89 120.40 114.59 3bwe s VAL 146 Ca -0.12 -0.64 0.02 0.00 0.00 0.00 0.00 61.98 61.25 3bwe s VAL 146 Cb 0.21 -1.28 0.01 0.00 0.00 0.00 0.00 36.38 35.32 3bwe s VAL 146 CO 0.77 0.42 -0.21 -0.70 0.00 0.00 0.00 175.10 175.39 3bwe s GLU 147 N 0.68 2.87 -0.24 2.72 2.56 0.32 -5.00 118.70 122.61 3bwe s GLU 147 Ca -0.13 -0.80 0.01 0.00 0.00 0.00 0.00 54.97 54.05 3bwe s GLU 147 Cb -0.16 -2.34 0.06 0.00 2.00 0.00 0.00 34.13 33.69 3bwe s GLU 147 CO 0.04 -0.03 -0.05 0.21 -0.56 0.00 0.00 175.26 174.86 3bwe s LYS 148 N 0.87 1.63 -0.41 4.30 2.20 -1.26 -0.33 119.74 126.75 3bwe s LYS 148 Ca -0.06 -1.01 -0.03 0.00 -0.36 0.00 0.00 55.97 54.51 3bwe s LYS 148 Cb -0.15 -2.60 0.11 0.00 -1.51 0.00 0.00 37.83 33.68 3bwe s LYS 148 CO -0.02 -0.60 0.20 0.34 -0.36 0.00 0.00 175.35 174.91 3bwe s ASP 149 N 1.38 5.24 1.69 1.43 2.15 -0.63 -4.98 116.67 122.97 3bwe s ASP 149 Ca -0.06 -2.05 0.00 0.00 0.43 0.00 0.00 52.55 50.87 3bwe s ASP 149 Cb -0.19 -1.82 0.00 0.00 -0.30 0.00 0.00 42.92 40.61 3bwe s ASP 149 CO -0.06 -0.54 0.00 0.61 -0.17 0.00 0.00 175.17 175.01 3bwe n GLY 150 N 4.57 1.54 0.98 2.66 0.00 -1.26 -2.12 105.19 111.55 3bwe n GLY 150 Ca -0.02 0.19 0.03 0.00 0.00 0.00 0.00 46.02 46.22 3bwe n GLY 150 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3bwe n LEU 151 N 0.00 3.97 -4.00 0.99 4.77 -1.26 -4.89 117.00 116.58 3bwe n LEU 151 Ca 0.00 -3.32 -0.31 0.00 -0.03 0.00 0.00 56.01 52.35 3bwe n LEU 151 Cb 0.00 -0.58 -0.15 0.00 -2.33 0.00 0.00 43.42 40.35 3bwe n LEU 151 CO 0.00 0.90 -0.45 -0.63 -1.33 0.00 0.00 177.39 175.89 3bwe s ILE 152 N -3.00 1.80 -0.22 -0.08 1.09 -0.90 -1.62 121.20 118.26 3bwe s ILE 152 Ca 0.43 -1.33 -0.04 0.00 -1.10 0.00 0.00 60.65 58.61 3bwe s ILE 152 Cb 0.37 -1.96 -0.01 0.00 -1.06 0.00 0.00 42.46 39.79 3bwe s ILE 152 CO 0.05 -0.01 -0.02 -0.22 -0.10 0.00 0.00 174.94 174.65 3bwe s LEU 153 N 1.28 3.04 0.21 2.97 2.96 0.13 -1.60 118.68 127.67 3bwe s LEU 153 Ca -0.06 -0.33 0.06 0.00 -0.22 0.00 0.00 54.13 53.58 3bwe s LEU 153 Cb -0.19 -1.78 -0.05 0.00 0.50 0.00 0.00 46.19 44.68 3bwe s LEU 153 CO -0.06 -0.00 -0.09 0.42 -1.32 0.00 0.00 176.35 175.29 3bwe s THR 154 N 1.39 1.47 0.17 3.68 -4.23 0.56 -0.66 115.64 118.01 3bwe s THR 154 Ca 0.05 -2.13 -0.09 0.00 -1.18 0.00 0.00 61.69 58.34 3bwe s THR 154 Cb -0.14 -2.14 -0.01 0.00 1.34 0.00 0.00 72.50 71.54 3bwe s THR 154 CO -0.01 -0.52 0.28 -0.55 -0.54 0.00 0.00 174.62 173.29 3bwe s SER 155 N -3.31 0.04 0.17 3.99 0.15 -0.93 -0.52 113.70 113.29 3bwe s SER 155 Ca 0.24 -0.89 0.22 0.00 0.70 0.00 0.00 55.95 56.21 3bwe s SER 155 Cb 0.02 0.44 -0.03 0.00 -1.71 0.00 0.00 66.02 64.73 3bwe s SER 155 CO 0.07 -0.90 0.99 0.54 1.20 0.00 0.00 173.24 175.14 3bwe n ARG 156 N -0.22 0.61 -3.51 5.44 1.74 -1.14 -1.24 116.66 118.34 3bwe n ARG 156 Ca -0.07 0.12 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 3bwe n ARG 156 Cb 0.63 -1.81 0.00 0.00 -1.02 0.00 0.00 32.46 30.26 3bwe n ARG 156 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3bwe n GLY 157 N 1.21 -1.46 0.24 -0.13 0.00 -1.26 -3.20 105.19 100.60 3bwe n GLY 157 Ca -0.02 -1.05 0.01 0.00 0.00 0.00 0.00 46.02 44.97 3bwe n GLY 157 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3bwe h PRO 158 N 0.00 0.11 0.00 1.61 0.11 -1.98 0.60 132.00 132.45 3bwe h PRO 158 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3bwe h PRO 158 Cb 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.09 3bwe h PRO 158 CO 0.00 0.07 0.00 0.41 -0.21 0.00 0.00 178.00 178.27 3bwe n GLY 159 N -1.38 -0.95 0.89 -0.55 0.00 -1.26 -1.85 105.19 100.09 3bwe n GLY 159 Ca 0.10 0.13 0.09 0.00 0.00 0.00 0.00 46.02 46.34 3bwe n GLY 159 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3bwe n THR 160 N -2.12 0.47 -0.05 2.61 -2.24 0.19 -4.65 114.28 108.48 3bwe n THR 160 Ca -0.00 -0.73 0.11 0.00 -2.27 0.00 0.00 64.05 61.16 3bwe n THR 160 Cb 0.09 0.97 0.51 0.00 -2.10 0.00 0.00 70.33 69.80 3bwe n THR 160 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3bwe h SER 161 N 3.49 0.34 -0.02 3.42 0.02 -1.21 0.16 113.55 119.74 3bwe h SER 161 Ca 0.00 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.89 3bwe h SER 161 Cb 0.82 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.30 3bwe h SER 161 CO 0.00 0.21 -0.25 -0.26 -1.14 0.00 0.00 176.83 175.39 3bwe h PHE 162 N 0.38 0.30 -0.83 3.45 -1.00 -1.83 0.11 116.94 117.53 3bwe h PHE 162 Ca 0.25 -0.15 -0.01 0.00 2.81 0.00 0.00 57.97 60.88 3bwe h PHE 162 Cb 0.48 -0.04 -0.04 0.00 3.61 0.00 0.00 35.95 39.96 3bwe h PHE 162 CO -0.00 0.91 0.49 0.93 -1.61 0.00 0.00 178.31 179.02 3bwe h GLU 163 N -0.39 1.12 0.35 1.51 5.08 -1.81 0.64 114.58 121.08 3bwe h GLU 163 Ca -0.02 -0.11 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 3bwe h GLU 163 Cb 0.96 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.98 3bwe h GLU 163 CO 0.05 0.80 -0.17 0.35 -1.00 0.00 0.00 179.01 179.04 3bwe h PHE 164 N 1.14 -0.44 -0.14 4.33 3.57 -0.70 0.18 116.94 124.89 3bwe h PHE 164 Ca 0.30 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.79 3bwe h PHE 164 Cb -0.03 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 3bwe h PHE 164 CO 0.01 -0.19 0.07 0.00 -2.23 0.00 0.00 178.31 175.97 3bwe h ALA 165 N -0.00 0.16 -0.70 2.41 0.00 -0.19 -1.75 119.26 119.19 3bwe h ALA 165 Ca -0.05 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3bwe h ALA 165 Cb 0.44 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3bwe h ALA 165 CO 0.08 -0.36 0.29 -0.07 0.00 0.00 0.00 179.25 179.19 3bwe h LEU 166 N 0.16 0.94 -1.20 0.00 3.38 0.30 -1.70 115.31 117.19 3bwe h LEU 166 Ca 0.05 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.92 3bwe h LEU 166 Cb -0.00 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 3bwe h LEU 166 CO -0.03 0.83 0.55 0.00 0.09 0.00 0.00 178.44 179.88 3bwe h ALA 167 N 1.31 1.45 -0.52 1.53 0.00 -0.20 -0.57 119.26 122.26 3bwe h ALA 167 Ca 0.24 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 3bwe h ALA 167 Cb 0.17 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3bwe h ALA 167 CO -0.02 0.49 0.01 0.82 0.00 0.00 0.00 179.25 180.54 3bwe h ILE 168 N 1.08 1.26 -0.40 0.00 2.04 -0.55 -2.31 117.51 118.63 3bwe h ILE 168 Ca 0.32 -1.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.08 3bwe h ILE 168 Cb -0.04 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 3bwe h ILE 168 CO -0.08 0.38 0.17 0.58 0.00 0.00 0.00 178.15 179.19 3bwe h VAL 169 N 0.78 1.19 -0.19 1.67 2.07 -0.44 -1.60 116.25 119.74 3bwe h VAL 169 Ca 0.15 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.09 3bwe h VAL 169 Cb 0.51 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 3bwe h VAL 169 CO 0.02 0.21 0.12 -0.08 0.02 0.00 0.00 177.57 177.87 3bwe h GLU 170 N 0.50 0.24 -0.70 1.57 4.81 -1.06 0.47 114.58 120.41 3bwe h GLU 170 Ca 0.13 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.43 3bwe h GLU 170 Cb 0.18 -0.05 -0.07 0.00 0.63 0.00 0.00 28.75 29.44 3bwe h GLU 170 CO -0.01 0.16 0.36 0.00 -0.73 0.00 0.00 179.01 178.79 3bwe h ALA 171 N 1.07 0.96 0.00 2.92 0.00 -1.21 0.72 119.26 123.71 3bwe h ALA 171 Ca 0.07 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3bwe h ALA 171 Cb -0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3bwe h ALA 171 CO -0.02 -0.01 -0.31 -0.07 0.00 0.00 0.00 179.25 178.85 3bwe h LEU 172 N 0.64 0.00 -2.15 0.00 4.07 -0.88 -3.41 115.31 113.58 3bwe h LEU 172 Ca 0.33 -0.84 0.00 0.00 0.08 0.00 0.00 57.88 57.46 3bwe h LEU 172 Cb 0.30 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.04 3bwe h LEU 172 CO -0.24 1.10 0.00 0.59 -1.08 0.00 0.00 178.44 178.81 3bwe n ASN 173 N -4.57 2.46 0.00 -0.43 5.03 0.16 -5.01 115.26 112.90 3bwe n ASN 173 Ca -0.15 -1.74 0.00 0.00 0.87 0.00 0.00 54.58 53.56 3bwe n ASN 173 Cb 0.51 -0.12 0.00 0.00 -1.02 0.00 0.00 39.78 39.15 3bwe n ASN 173 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3bwe n GLY 174 N 0.61 0.35 0.19 7.41 0.00 0.24 -4.45 105.19 109.55 3bwe n GLY 174 Ca 0.09 -1.90 -0.17 0.00 0.00 0.00 0.00 46.02 44.04 3bwe n GLY 174 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3bwe h LYS 175 N 0.00 0.65 -0.68 1.61 1.57 -1.89 -2.56 116.57 115.26 3bwe h LYS 175 Ca 0.00 -0.55 0.01 0.00 -1.87 0.00 0.00 60.65 58.24 3bwe h LYS 175 Cb 0.00 0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 3bwe h LYS 175 CO 0.00 1.17 0.44 1.49 -0.57 0.00 0.00 179.45 181.98 3bwe h GLU 176 N 0.31 0.87 -0.57 3.15 4.81 -1.98 0.31 114.58 121.49 3bwe h GLU 176 Ca -0.05 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.06 3bwe h GLU 176 Cb 1.32 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.48 3bwe h GLU 176 CO 0.14 0.58 0.11 0.28 -0.73 0.00 0.00 179.01 179.38 3bwe h VAL 177 N 0.90 1.25 -0.33 0.32 2.07 -1.78 -1.17 116.25 117.52 3bwe h VAL 177 Ca 0.26 -0.95 0.02 0.00 0.82 0.00 0.00 66.70 66.85 3bwe h VAL 177 Cb -0.07 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 3bwe h VAL 177 CO -0.07 0.35 0.18 0.00 0.02 0.00 0.00 177.57 178.04 3bwe h ALA 178 N 1.01 0.41 -0.25 1.67 0.00 -0.85 -1.42 119.26 119.82 3bwe h ALA 178 Ca 0.17 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 3bwe h ALA 178 Cb 0.39 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3bwe h ALA 178 CO 0.01 -0.19 -0.24 0.00 0.00 0.00 0.00 179.25 178.83 3bwe h ALA 179 N 1.16 1.12 -0.36 0.00 0.00 -0.21 -1.74 119.26 119.23 3bwe h ALA 179 Ca 0.13 -0.34 -0.17 0.00 0.00 0.00 0.00 54.91 54.54 3bwe h ALA 179 Cb 0.02 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3bwe h ALA 179 CO -0.08 0.55 -0.43 1.96 0.00 0.00 0.00 179.25 181.26 3bwe h GLN 180 N 0.42 0.92 0.00 0.00 4.20 -0.90 -2.71 115.11 117.05 3bwe h GLN 180 Ca 0.06 -0.51 -0.08 0.00 0.06 0.00 0.00 58.65 58.18 3bwe h GLN 180 Cb 0.65 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 3bwe h GLN 180 CO 0.05 1.16 -0.36 0.28 -0.67 0.00 0.00 178.83 179.29 3bwe h VAL 181 N 0.73 0.94 0.00 -0.54 2.07 -1.13 -3.29 116.25 115.04 3bwe h VAL 181 Ca 0.05 -1.41 -0.19 0.00 0.82 0.00 0.00 66.70 65.98 3bwe h VAL 181 Cb 1.03 1.84 0.02 0.00 -1.52 0.00 0.00 31.29 32.65 3bwe h VAL 181 CO 0.10 0.35 -0.73 0.50 0.02 0.00 0.00 177.57 177.82 3bwe h LYS 182 N 0.00 0.49 -0.56 1.57 3.64 -1.15 -3.38 116.57 117.17 3bwe h LYS 182 Ca -0.00 -0.53 0.05 0.00 -1.27 0.00 0.00 60.65 58.90 3bwe h LYS 182 Cb 0.81 0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 32.70 3bwe h LYS 182 CO 0.05 1.17 -0.40 0.00 -2.27 0.00 0.00 179.45 177.99 3bwe h ALA 183 N 0.34 -0.47 -0.83 5.00 0.00 -1.55 -2.05 119.26 119.70 3bwe h ALA 183 Ca -0.09 0.06 0.22 0.00 0.00 0.00 0.00 54.91 55.09 3bwe h ALA 183 Cb 1.42 1.18 -0.05 0.00 0.00 0.00 0.00 17.79 20.35 3bwe h ALA 183 CO 0.14 -0.73 0.57 -1.35 0.00 0.00 0.00 179.25 177.89 3bwe h PRO 184 N -0.09 0.16 0.00 0.00 0.11 -1.76 -1.90 132.00 128.52 3bwe h PRO 184 Ca 0.09 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.19 3bwe h PRO 184 Cb 0.33 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.40 3bwe h PRO 184 CO -0.58 0.11 0.02 -0.07 -0.21 0.00 0.00 178.00 177.27 3bwe h LEU 185 N 0.17 0.00 -1.80 2.35 3.38 -1.54 -3.45 115.31 114.41 3bwe h LEU 185 Ca 0.41 0.00 -0.40 0.00 0.09 0.00 0.00 57.88 57.98 3bwe h LEU 185 Cb 1.35 0.00 0.08 0.00 0.09 0.00 0.00 40.66 42.18 3bwe h LEU 185 CO -0.07 0.00 -0.82 0.52 0.09 0.00 0.00 178.44 178.15 3bwe n VAL 186 N -2.82 -4.83 -2.71 1.22 0.31 -0.72 -4.97 118.33 103.81 3bwe n VAL 186 Ca -0.02 -0.52 -0.29 0.00 -0.01 0.00 0.00 64.34 63.49 3bwe n VAL 186 Cb 0.08 -4.04 -0.02 0.00 -0.91 0.00 0.00 33.84 28.95 3bwe n VAL 186 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3bwe s LEU 187 N -6.60 3.72 0.00 7.52 1.43 -1.26 -5.17 118.68 118.32 3bwe s LEU 187 Ca 0.02 1.09 0.28 0.00 -1.03 0.00 0.00 54.13 54.48 3bwe s LEU 187 Cb -0.00 -4.01 1.67 0.00 0.03 0.00 0.00 46.19 43.88 3bwe s LEU 187 CO 0.80 -0.49 2.01 1.17 0.23 0.00 0.00 176.35 180.06