#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b4p s MET 2 N 0.00 4.14 -0.18 -0.52 -1.94 -0.94 -4.63 119.30 115.22 1b4p s MET 2 Ca 0.00 1.13 -0.02 0.00 -1.71 0.00 0.00 55.69 55.09 1b4p s MET 2 Cb 0.00 -2.16 -0.01 0.00 2.01 0.00 0.00 34.83 34.67 1b4p s MET 2 CO 0.00 -0.11 -0.10 0.42 -0.01 0.00 0.00 175.02 175.22 1b4p s ILE 3 N -2.21 3.04 -0.22 2.53 1.01 -0.02 -1.64 121.20 123.71 1b4p s ILE 3 Ca 0.62 -0.62 -0.09 0.00 0.00 0.00 0.00 60.65 60.56 1b4p s ILE 3 Cb -0.10 -2.34 -0.04 0.00 0.01 0.00 0.00 42.46 39.99 1b4p s ILE 3 CO 0.16 0.48 0.11 -0.22 0.00 0.00 0.00 174.94 175.47 1b4p s LEU 4 N 1.09 3.91 -0.02 2.97 2.96 -0.31 -0.84 118.68 128.45 1b4p s LEU 4 Ca 0.00 0.06 0.08 0.00 -0.22 0.00 0.00 54.13 54.05 1b4p s LEU 4 Cb -0.15 -2.03 -0.02 0.00 0.50 0.00 0.00 46.19 44.50 1b4p s LEU 4 CO -0.02 0.10 -0.25 -0.83 -1.32 0.00 0.00 176.35 174.03 1b4p s GLY 5 N 0.83 1.20 -0.11 7.98 0.00 -0.33 -0.67 107.32 116.21 1b4p s GLY 5 Ca 0.06 -1.06 -0.33 0.00 0.00 0.00 0.00 44.72 43.39 1b4p s GLY 5 CO 0.02 -0.88 1.23 -0.47 0.00 0.00 0.00 173.10 173.00 1b4p s TYR 6 N -0.58 -0.10 0.95 1.90 5.04 -1.09 -1.49 117.35 121.98 1b4p s TYR 6 Ca 0.09 0.02 -0.11 0.00 -2.44 0.00 0.00 57.07 54.64 1b4p s TYR 6 Cb -0.09 0.53 0.16 0.00 0.35 0.00 0.00 41.96 42.91 1b4p s TYR 6 CO -0.01 -0.25 1.11 -1.58 -1.34 0.00 0.00 175.55 173.48 1b4p s TRP 7 N -2.46 1.71 -1.22 4.97 0.52 -1.26 -0.83 118.94 120.37 1b4p s TRP 7 Ca 0.11 1.61 -0.07 0.00 0.02 0.00 0.00 56.10 57.77 1b4p s TRP 7 Cb 0.01 -3.25 -0.03 0.00 -1.15 0.00 0.00 33.47 29.06 1b4p s TRP 7 CO -0.04 -2.89 2.83 -1.71 0.02 0.00 0.00 176.95 175.16 1b4p n ASN 8 N -4.27 7.90 -3.87 2.95 5.15 -0.45 -4.50 115.26 118.17 1b4p n ASN 8 Ca 0.09 -2.82 -0.09 0.00 -0.60 0.00 0.00 54.58 51.16 1b4p n ASN 8 Cb 0.53 -1.44 -0.05 0.00 -0.53 0.00 0.00 39.78 38.28 1b4p n ASN 8 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1b4p s VAL 9 N 0.47 0.04 -0.02 3.44 -7.23 -1.26 -4.73 120.40 111.12 1b4p s VAL 9 Ca 0.63 -1.13 -0.25 0.00 -1.81 0.00 0.00 61.98 59.43 1b4p s VAL 9 Cb 0.22 -1.75 -0.19 0.00 0.56 0.00 0.00 36.38 35.22 1b4p s VAL 9 CO -0.08 -0.20 1.22 -0.09 -0.31 0.00 0.00 175.10 175.64 1b4p h ARG 10 N 2.37 -0.10 0.00 4.82 2.43 -1.30 -3.46 114.38 119.14 1b4p h ARG 10 Ca -0.30 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 1b4p h ARG 10 Cb 1.24 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 1b4p h ARG 10 CO 0.43 0.33 0.00 0.41 -1.51 0.00 0.00 179.97 179.63 1b4p n GLY 11 N 0.13 2.96 0.91 2.80 0.00 0.13 -2.04 105.19 110.08 1b4p n GLY 11 Ca -0.08 0.14 0.08 0.00 0.00 0.00 0.00 46.02 46.16 1b4p n GLY 11 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1b4p n LEU 12 N 0.00 3.84 -0.54 0.99 -0.00 -1.26 -4.55 117.00 115.48 1b4p n LEU 12 Ca 0.00 -2.84 0.09 0.00 -0.00 0.00 0.00 56.01 53.27 1b4p n LEU 12 Cb 0.00 -0.50 0.02 0.00 -0.00 0.00 0.00 43.42 42.94 1b4p n LEU 12 CO 0.00 0.68 0.37 0.41 -0.00 0.00 0.00 177.39 178.85 1b4p n THR 13 N -0.26 0.00 -0.23 1.47 -1.04 -0.87 -4.55 114.28 108.80 1b4p n THR 13 Ca 0.20 -0.36 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 1b4p n THR 13 Cb 0.83 1.28 0.12 0.00 -1.82 0.00 0.00 70.33 70.74 1b4p n THR 13 CO 0.00 0.00 0.00 -0.74 -0.64 0.00 0.00 175.07 173.69 1b4p h HIS 14 N 2.63 0.60 -0.47 -1.42 2.76 -1.79 0.18 115.15 117.64 1b4p h HIS 14 Ca 0.00 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.19 1b4p h HIS 14 Cb 0.70 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 29.46 1b4p h HIS 14 CO 0.00 0.23 0.25 -1.35 -1.30 0.00 0.00 177.93 175.76 1b4p h PRO 15 N 0.59 0.64 -0.11 5.26 0.11 -1.81 0.69 132.00 137.36 1b4p h PRO 15 Ca 0.33 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 66.32 1b4p h PRO 15 Cb 0.33 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.30 1b4p h PRO 15 CO -0.25 0.48 -0.15 0.82 -0.21 0.00 0.00 178.00 178.69 1b4p h ILE 16 N 0.65 1.37 -0.66 4.15 2.04 -1.30 -1.20 117.51 122.57 1b4p h ILE 16 Ca 0.17 -1.36 0.11 0.00 1.00 0.00 0.00 64.86 64.77 1b4p h ILE 16 Cb 0.03 2.01 -0.08 0.00 -0.74 0.00 0.00 36.82 38.04 1b4p h ILE 16 CO -0.03 0.39 0.25 0.03 0.00 0.00 0.00 178.15 178.80 1b4p h ARG 17 N -0.12 0.42 -0.42 2.37 3.08 -0.91 -0.41 114.38 118.39 1b4p h ARG 17 Ca 0.01 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1b4p h ARG 17 Cb 0.70 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 1b4p h ARG 17 CO 0.04 0.28 0.22 -0.07 -1.07 0.00 0.00 179.97 179.36 1b4p h LEU 18 N 0.43 0.54 -0.43 3.04 -0.00 -0.88 -2.35 115.31 115.66 1b4p h LEU 18 Ca 0.34 -0.11 -0.07 0.00 -0.00 0.00 0.00 57.88 58.04 1b4p h LEU 18 Cb 0.44 -0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 40.94 1b4p h LEU 18 CO -0.33 0.49 -0.01 0.25 -0.00 0.00 0.00 178.44 178.84 1b4p h LEU 19 N 0.55 0.75 -0.99 1.67 6.46 -0.83 -0.92 115.31 122.01 1b4p h LEU 19 Ca 0.15 -0.31 0.16 0.00 -0.12 0.00 0.00 57.88 57.76 1b4p h LEU 19 Cb 0.08 -0.20 -0.10 0.00 -0.73 0.00 0.00 40.66 39.71 1b4p h LEU 19 CO -0.02 0.88 0.60 -0.07 -0.62 0.00 0.00 178.44 179.21 1b4p h LEU 20 N 0.60 0.80 0.14 2.25 3.38 -0.90 -2.25 115.31 119.32 1b4p h LEU 20 Ca 0.12 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 1b4p h LEU 20 Cb 0.50 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1b4p h LEU 20 CO 0.02 0.34 -0.07 -0.33 0.09 0.00 0.00 178.44 178.50 1b4p h GLU 21 N 0.82 -0.18 -0.61 1.13 4.39 -1.09 -1.46 114.58 117.58 1b4p h GLU 21 Ca 0.54 0.01 0.09 0.00 0.34 0.00 0.00 59.36 60.34 1b4p h GLU 21 Cb 0.74 0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 29.36 1b4p h GLU 21 CO -0.34 0.14 0.24 -0.92 -1.16 0.00 0.00 179.01 176.96 1b4p h TYR 22 N -0.50 0.42 -0.00 4.33 3.20 -1.09 -1.62 116.97 121.71 1b4p h TYR 22 Ca -0.02 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1b4p h TYR 22 Cb 0.39 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.57 1b4p h TYR 22 CO 0.03 0.12 -0.02 0.25 -1.64 0.00 0.00 178.16 176.89 1b4p n THR 23 N -4.98 0.00 -2.15 1.81 -2.24 -0.86 -4.92 114.28 100.94 1b4p n THR 23 Ca 0.09 -0.01 -0.14 0.00 -2.27 0.00 0.00 64.05 61.71 1b4p n THR 23 Cb 0.26 -0.41 -0.01 0.00 -2.10 0.00 0.00 70.33 68.07 1b4p n THR 23 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1b4p n ASP 24 N -1.17 -4.31 -4.77 3.42 9.92 -0.61 -4.96 116.55 114.07 1b4p n ASP 24 Ca 0.16 0.03 -0.38 0.00 -0.53 0.00 0.00 54.79 54.07 1b4p n ASP 24 Cb 0.23 -3.43 -0.03 0.00 -0.64 0.00 0.00 41.12 37.26 1b4p n ASP 24 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 1b4p s SER 25 N -2.44 6.63 -0.30 -2.24 0.01 -0.60 -5.00 113.70 109.76 1b4p s SER 25 Ca 0.00 2.24 -0.23 0.00 1.31 0.00 0.00 55.95 59.27 1b4p s SER 25 Cb 0.00 -2.61 -0.00 0.00 0.21 0.00 0.00 66.02 63.62 1b4p s SER 25 CO 0.00 -0.59 0.78 -0.55 0.41 0.00 0.00 173.24 173.28 1b4p s SER 26 N -1.26 6.66 0.12 2.44 0.15 -1.26 -4.85 113.70 115.69 1b4p s SER 26 Ca 0.57 0.67 -0.09 0.00 0.70 0.00 0.00 55.95 57.80 1b4p s SER 26 Cb -0.28 -2.40 -0.00 0.00 -1.71 0.00 0.00 66.02 61.62 1b4p s SER 26 CO 0.35 -0.60 0.23 -0.72 1.20 0.00 0.00 173.24 173.70 1b4p s TYR 27 N 2.92 0.23 0.03 3.44 1.13 -1.26 -2.22 117.35 121.63 1b4p s TYR 27 Ca 0.32 -0.64 0.05 0.00 -1.41 0.00 0.00 57.07 55.39 1b4p s TYR 27 Cb -0.14 -0.05 -0.02 0.00 -1.10 0.00 0.00 41.96 40.64 1b4p s TYR 27 CO 0.12 -0.61 -0.15 -1.83 -2.51 0.00 0.00 175.55 170.57 1b4p s GLU 28 N -3.90 1.02 -0.09 -3.49 -1.05 -0.65 -4.91 118.70 105.63 1b4p s GLU 28 Ca 0.09 -0.75 0.01 0.00 -0.15 0.00 0.00 54.97 54.17 1b4p s GLU 28 Cb 0.04 -1.03 -0.02 0.00 -0.44 0.00 0.00 34.13 32.68 1b4p s GLU 28 CO -0.07 0.26 -0.10 -1.21 0.95 0.00 0.00 175.26 175.09 1b4p s GLU 29 N -1.04 2.96 -0.21 -4.83 2.02 -1.26 -1.16 118.70 115.18 1b4p s GLU 29 Ca 0.03 -0.62 -0.05 0.00 0.02 0.00 0.00 54.97 54.35 1b4p s GLU 29 Cb -0.08 -2.58 -0.02 0.00 0.10 0.00 0.00 34.13 31.54 1b4p s GLU 29 CO 0.01 0.49 0.01 0.21 0.02 0.00 0.00 175.26 176.00 1b4p s LYS 30 N -0.36 3.61 -0.27 1.61 2.20 0.15 -4.98 119.74 121.72 1b4p s LYS 30 Ca 0.04 -0.52 -0.00 0.00 -0.36 0.00 0.00 55.97 55.13 1b4p s LYS 30 Cb -0.12 -3.11 0.04 0.00 -1.51 0.00 0.00 37.83 33.12 1b4p s LYS 30 CO 0.02 -0.03 -0.06 1.03 -0.36 0.00 0.00 175.35 175.96 1b4p s ARG 31 N 1.11 2.55 0.28 4.03 0.52 -1.26 -2.67 118.95 123.52 1b4p s ARG 31 Ca 0.03 -1.16 -0.20 0.00 -0.52 0.00 0.00 55.73 53.87 1b4p s ARG 31 Cb -0.14 -3.01 -0.09 0.00 0.52 0.00 0.00 34.95 32.23 1b4p s ARG 31 CO 0.02 -0.51 0.79 0.71 0.02 0.00 0.00 175.30 176.33 1b4p s TYR 32 N 1.24 3.57 0.40 -0.53 1.51 -0.01 -4.69 117.35 118.84 1b4p s TYR 32 Ca -0.04 1.44 -0.06 0.00 -1.01 0.00 0.00 57.07 57.40 1b4p s TYR 32 Cb -0.18 -2.68 -0.05 0.00 -0.11 0.00 0.00 41.96 38.94 1b4p s TYR 32 CO -0.04 0.22 0.71 0.00 -1.11 0.00 0.00 175.55 175.33 1b4p s ALA 33 N -1.70 3.46 -0.08 3.71 0.00 -1.26 -1.34 121.76 124.55 1b4p s ALA 33 Ca 0.48 -0.46 0.03 0.00 0.00 0.00 0.00 51.96 52.01 1b4p s ALA 33 Cb -0.15 -2.52 0.01 0.00 0.00 0.00 0.00 23.12 20.46 1b4p s ALA 33 CO 0.20 -0.09 -0.19 1.41 0.00 0.00 0.00 175.76 177.10 1b4p s MET 34 N -4.17 2.44 0.66 0.00 1.75 -1.26 -4.72 119.30 114.00 1b4p s MET 34 Ca 0.47 -0.67 -0.17 0.00 -1.25 0.00 0.00 55.69 54.07 1b4p s MET 34 Cb -0.10 -1.90 -0.04 0.00 2.84 0.00 0.00 34.83 35.63 1b4p s MET 34 CO 0.37 0.12 0.79 0.41 -0.65 0.00 0.00 175.02 176.06 1b4p n GLY 35 N 3.63 -0.82 2.16 2.11 0.00 0.38 -4.85 105.19 107.80 1b4p n GLY 35 Ca -0.21 -0.26 -0.15 0.00 0.00 0.00 0.00 46.02 45.41 1b4p n GLY 35 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1b4p n ASP 36 N -0.72 0.29 -4.77 1.61 8.00 -1.26 -4.17 116.55 115.53 1b4p n ASP 36 Ca 0.12 -1.39 -0.32 0.00 0.71 0.00 0.00 54.79 53.92 1b4p n ASP 36 Cb 0.49 -0.50 0.08 0.00 -0.02 0.00 0.00 41.12 41.17 1b4p n ASP 36 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1b4p s ALA 37 N -3.65 2.32 -1.08 2.24 0.00 -1.26 -2.08 121.76 118.25 1b4p s ALA 37 Ca 0.40 0.35 0.21 0.00 0.00 0.00 0.00 51.96 52.92 1b4p s ALA 37 Cb -0.01 -3.29 -0.21 0.00 0.00 0.00 0.00 23.12 19.61 1b4p s ALA 37 CO 0.28 -1.63 0.90 -0.35 0.00 0.00 0.00 175.76 174.97 1b4p n PRO 38 N -3.20 0.21 -0.02 0.00 -0.04 -1.26 -4.76 135.00 125.93 1b4p n PRO 38 Ca 0.09 -0.09 0.13 0.00 -0.04 0.00 0.00 63.50 63.59 1b4p n PRO 38 Cb 0.53 -1.48 0.39 0.00 -0.04 0.00 0.00 33.50 32.89 1b4p n PRO 38 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1b4p n ASP 39 N -1.36 1.98 -4.42 3.54 3.85 -1.25 -4.95 116.55 113.95 1b4p n ASP 39 Ca 0.04 -1.67 -0.36 0.00 -0.71 0.00 0.00 54.79 52.09 1b4p n ASP 39 Cb 0.34 -0.02 -0.09 0.00 -1.35 0.00 0.00 41.12 40.00 1b4p n ASP 39 CO 0.00 0.00 0.00 -1.22 -1.01 0.00 0.00 177.20 174.97 1b4p n TYR 40 N 0.55 -1.23 -1.34 2.11 4.01 -0.88 -4.68 117.16 115.70 1b4p n TYR 40 Ca 0.17 0.65 -0.52 0.00 -0.16 0.00 0.00 57.90 58.04 1b4p n TYR 40 Cb 0.43 -2.39 -0.07 0.00 -0.31 0.00 0.00 39.34 37.00 1b4p n TYR 40 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1b4p n ASP 41 N -2.69 0.16 -0.29 7.72 2.03 -1.26 -3.92 116.55 118.31 1b4p n ASP 41 Ca -0.12 1.01 0.05 0.00 0.52 0.00 0.00 54.79 56.26 1b4p n ASP 41 Cb 0.58 -0.79 0.11 0.00 -0.72 0.00 0.00 41.12 40.30 1b4p n ASP 41 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1b4p n ARG 42 N 1.65 2.45 -0.28 -0.67 1.74 -1.26 0.14 116.66 120.43 1b4p n ARG 42 Ca 0.19 -2.15 0.06 0.00 -0.77 0.00 0.00 57.85 55.18 1b4p n ARG 42 Cb 0.05 -1.34 0.16 0.00 -1.02 0.00 0.00 32.46 30.31 1b4p n ARG 42 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1b4p h SER 43 N 0.67 -0.50 -0.86 0.55 4.64 -1.89 -0.41 113.55 115.76 1b4p h SER 43 Ca 0.00 0.22 0.21 0.00 -0.47 0.00 0.00 61.79 61.75 1b4p h SER 43 Cb 0.85 0.42 -0.12 0.00 -0.31 0.00 0.00 62.40 63.23 1b4p h SER 43 CO 0.04 -0.23 0.32 -0.61 -0.87 0.00 0.00 176.83 175.48 1b4p h GLN 44 N 0.06 0.34 0.02 4.77 -0.00 -1.87 0.10 115.11 118.52 1b4p h GLN 44 Ca 0.43 -0.02 -0.11 0.00 -0.00 0.00 0.00 58.65 58.95 1b4p h GLN 44 Cb 0.76 -0.08 -0.01 0.00 0.00 0.00 0.00 27.48 28.15 1b4p h GLN 44 CO -0.76 0.22 -0.57 2.35 0.00 0.00 0.00 178.83 180.07 1b4p h TRP 45 N 0.35 0.07 -0.63 3.99 -0.00 -1.40 -3.36 115.95 114.97 1b4p h TRP 45 Ca 0.52 -0.05 0.17 0.00 -0.00 0.00 0.00 58.89 59.53 1b4p h TRP 45 Cb 0.98 -0.00 -0.03 0.00 -0.00 0.00 0.00 29.16 30.11 1b4p h TRP 45 CO -0.18 1.22 0.45 -0.07 -0.00 0.00 0.00 178.44 179.86 1b4p h LEU 46 N -0.90 0.09 -1.01 0.65 3.38 -1.15 0.30 115.31 116.68 1b4p h LEU 46 Ca -0.15 0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.85 1b4p h LEU 46 Cb 1.20 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.89 1b4p h LEU 46 CO -0.05 0.05 0.66 0.78 0.09 0.00 0.00 178.44 179.97 1b4p h ASN 47 N 0.09 1.13 -0.01 -0.43 -0.26 -0.94 -2.97 115.58 112.20 1b4p h ASN 47 Ca 0.30 -0.02 0.00 0.00 -0.56 0.00 0.00 56.30 56.02 1b4p h ASN 47 Cb 1.08 -0.27 0.00 0.00 -1.06 0.00 0.00 38.32 38.06 1b4p h ASN 47 CO -0.03 0.80 -0.33 -1.84 -1.06 0.00 0.00 177.43 174.97 1b4p n GLU 48 N -4.41 1.66 -0.35 0.81 0.28 0.09 -4.69 120.64 114.04 1b4p n GLU 48 Ca 0.13 -0.82 0.24 0.00 -0.16 0.00 0.00 57.16 56.55 1b4p n GLU 48 Cb 0.05 -1.28 0.49 0.00 1.43 0.00 0.00 31.44 32.13 1b4p n GLU 48 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 1b4p h LYS 49 N 1.82 0.36 -0.40 3.44 3.64 -0.35 -0.06 116.57 125.02 1b4p h LYS 49 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1b4p h LYS 49 Cb 0.55 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1b4p h LYS 49 CO 0.00 0.24 0.00 1.19 -2.27 0.00 0.00 179.45 178.61 1b4p n PHE 50 N -4.81 0.52 0.57 1.91 3.72 -1.26 -4.40 117.46 113.71 1b4p n PHE 50 Ca 0.29 -0.31 0.10 0.00 -0.05 0.00 0.00 57.45 57.47 1b4p n PHE 50 Cb 0.96 -0.01 0.12 0.00 -0.94 0.00 0.00 39.48 39.61 1b4p n PHE 50 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1b4p n LYS 51 N 1.24 1.91 0.00 -1.08 5.02 -0.04 -4.36 118.16 120.85 1b4p n LYS 51 Ca 0.17 -1.82 0.12 0.00 -2.02 0.00 0.00 58.31 54.77 1b4p n LYS 51 Cb 0.54 -1.39 0.23 0.00 -0.02 0.00 0.00 35.03 34.38 1b4p n LYS 51 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1b4p n LEU 52 N 1.12 2.03 -0.81 -0.35 4.77 -1.21 -4.97 117.00 117.59 1b4p n LEU 52 Ca 0.13 -0.68 -0.07 0.00 -0.03 0.00 0.00 56.01 55.35 1b4p n LEU 52 Cb 0.50 -0.02 -0.01 0.00 -2.33 0.00 0.00 43.42 41.56 1b4p n LEU 52 CO 0.12 0.35 -0.09 0.61 -1.33 0.00 0.00 177.39 177.06 1b4p n GLY 53 N 1.32 0.14 3.84 -0.72 0.00 -1.26 -5.02 105.19 103.49 1b4p n GLY 53 Ca 0.14 -0.59 -0.34 0.00 0.00 0.00 0.00 46.02 45.22 1b4p n GLY 53 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1b4p s LEU 54 N -2.07 4.26 0.03 0.99 1.43 -1.26 -4.94 118.68 117.13 1b4p s LEU 54 Ca 0.00 1.18 -0.21 0.00 -1.03 0.00 0.00 54.13 54.07 1b4p s LEU 54 Cb 0.00 -3.57 -0.15 0.00 0.03 0.00 0.00 46.19 42.50 1b4p s LEU 54 CO 0.00 -0.00 1.36 0.44 0.23 0.00 0.00 176.35 178.38 1b4p h ASP 55 N 3.12 0.30 -3.66 2.29 3.32 -1.96 -3.36 116.42 116.48 1b4p h ASP 55 Ca -0.48 -0.45 -0.62 0.00 0.02 0.00 0.00 57.03 55.50 1b4p h ASP 55 Cb 1.19 -0.08 -0.40 0.00 0.22 0.00 0.00 39.33 40.25 1b4p h ASP 55 CO 0.66 0.68 -0.71 -0.36 -1.72 0.00 0.00 179.24 177.79 1b4p s PHE 56 N -4.43 2.58 0.27 4.55 0.08 -1.26 -5.10 117.98 114.67 1b4p s PHE 56 Ca -0.14 -2.57 -0.31 0.00 0.12 0.00 0.00 56.93 54.03 1b4p s PHE 56 Cb 0.05 -2.29 -0.12 0.00 -0.57 0.00 0.00 43.02 40.09 1b4p s PHE 56 CO 0.73 -0.83 1.53 -2.30 -0.10 0.00 0.00 175.22 174.25 1b4p n PRO 57 N 3.90 2.43 -3.79 0.24 -0.02 -1.26 -4.82 135.00 131.68 1b4p n PRO 57 Ca 0.04 0.87 -0.02 0.00 -2.02 0.00 0.00 63.50 62.36 1b4p n PRO 57 Cb 0.37 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.25 1b4p n PRO 57 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1b4p s ASN 58 N 0.44 -0.08 -0.06 2.55 3.84 -1.26 -5.12 114.94 115.25 1b4p s ASN 58 Ca 0.66 -0.47 0.02 0.00 0.21 0.00 0.00 52.86 53.28 1b4p s ASN 58 Cb -0.56 0.44 0.01 0.00 -0.55 0.00 0.00 41.25 40.59 1b4p s ASN 58 CO 0.48 -0.84 -0.13 -0.76 -2.79 0.00 0.00 177.10 173.06 1b4p s LEU 59 N -3.15 1.68 0.81 3.21 1.43 -1.26 -4.01 118.68 117.39 1b4p s LEU 59 Ca 0.17 -0.31 -0.11 0.00 -1.03 0.00 0.00 54.13 52.85 1b4p s LEU 59 Cb -0.01 -0.84 0.08 0.00 0.03 0.00 0.00 46.19 45.45 1b4p s LEU 59 CO 0.03 0.05 1.10 -2.16 0.23 0.00 0.00 176.35 175.59 1b4p s PRO 60 N 0.60 1.94 0.05 1.29 0.04 -1.26 -4.94 135.00 132.72 1b4p s PRO 60 Ca -0.14 0.66 0.03 0.00 0.04 0.00 0.00 61.00 61.59 1b4p s PRO 60 Cb -0.15 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.46 1b4p s PRO 60 CO 0.04 -1.72 -0.10 1.52 0.04 0.00 0.00 177.00 176.78 1b4p s TYR 61 N -3.13 0.83 -0.06 0.56 -0.85 -0.56 -4.00 117.35 110.14 1b4p s TYR 61 Ca 0.61 -0.48 0.04 0.00 -0.52 0.00 0.00 57.07 56.72 1b4p s TYR 61 Cb -0.15 -0.48 0.00 0.00 0.38 0.00 0.00 41.96 41.71 1b4p s TYR 61 CO 0.55 -0.04 -0.17 -1.17 -1.52 0.00 0.00 175.55 173.20 1b4p s LEU 62 N -1.59 1.86 -0.24 -3.49 2.96 -0.03 -1.19 118.68 116.96 1b4p s LEU 62 Ca -0.07 -0.38 -0.02 0.00 -0.22 0.00 0.00 54.13 53.44 1b4p s LEU 62 Cb -0.10 -1.02 0.02 0.00 0.50 0.00 0.00 46.19 45.59 1b4p s LEU 62 CO 0.01 0.11 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.46 1b4p s ILE 63 N 0.32 2.99 -0.62 6.68 1.01 -0.02 -0.32 121.20 131.24 1b4p s ILE 63 Ca -0.11 -0.88 0.05 0.00 0.00 0.00 0.00 60.65 59.71 1b4p s ILE 63 Cb -0.14 -2.47 0.18 0.00 0.01 0.00 0.00 42.46 40.04 1b4p s ILE 63 CO 0.04 0.27 0.49 -0.67 0.00 0.00 0.00 174.94 175.07 1b4p n ASP 64 N 4.71 2.20 0.00 3.58 2.03 0.46 -0.84 116.55 128.68 1b4p n ASP 64 Ca -0.17 -3.03 0.00 0.00 0.52 0.00 0.00 54.79 52.11 1b4p n ASP 64 Cb 0.48 -0.70 0.00 0.00 -0.72 0.00 0.00 41.12 40.18 1b4p n ASP 64 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1b4p n GLY 65 N 2.01 3.00 0.22 0.27 0.00 -1.26 -1.81 105.19 107.61 1b4p n GLY 65 Ca 0.23 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.36 1b4p n GLY 65 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1b4p h SER 66 N 0.00 0.00 -3.33 1.61 4.64 -2.02 -3.44 113.55 111.02 1b4p h SER 66 Ca 0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 1b4p h SER 66 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.03 1b4p h SER 66 CO 0.00 0.14 -0.01 -0.13 -0.87 0.00 0.00 176.83 175.96 1b4p s ARG 67 N -3.39 4.36 -0.14 4.77 0.52 -0.75 -5.05 118.95 119.27 1b4p s ARG 67 Ca 0.03 0.72 -0.00 0.00 -0.52 0.00 0.00 55.73 55.96 1b4p s ARG 67 Cb 0.08 -3.39 0.03 0.00 0.52 0.00 0.00 34.95 32.19 1b4p s ARG 67 CO 0.64 0.24 -0.08 0.15 0.02 0.00 0.00 175.30 176.28 1b4p s LYS 68 N 0.24 1.62 -0.03 3.54 1.02 -1.26 -0.41 119.74 124.46 1b4p s LYS 68 Ca 0.32 -0.42 0.06 0.00 0.02 0.00 0.00 55.97 55.95 1b4p s LYS 68 Cb -0.17 -1.85 -0.01 0.00 -0.52 0.00 0.00 37.83 35.27 1b4p s LYS 68 CO 0.16 -0.33 -0.21 0.42 -0.92 0.00 0.00 175.35 174.47 1b4p s ILE 69 N 1.64 1.65 0.40 2.17 1.01 0.57 -4.81 121.20 123.83 1b4p s ILE 69 Ca 0.03 -0.88 0.04 0.00 0.00 0.00 0.00 60.65 59.85 1b4p s ILE 69 Cb -0.14 -1.39 -0.05 0.00 0.01 0.00 0.00 42.46 40.89 1b4p s ILE 69 CO -0.08 0.47 0.04 0.42 0.00 0.00 0.00 174.94 175.79 1b4p s THR 70 N -0.34 1.37 0.00 2.92 -4.23 -1.26 -0.85 115.64 113.25 1b4p s THR 70 Ca 0.04 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.55 1b4p s THR 70 Cb -0.10 -2.68 0.00 0.00 1.34 0.00 0.00 72.50 71.06 1b4p s THR 70 CO 0.00 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.08 1b4p n GLN 71 N -0.92 0.00 -0.24 3.99 1.13 -1.26 -4.50 117.38 115.59 1b4p n GLN 71 Ca -0.07 0.46 0.04 0.00 -1.94 0.00 0.00 57.00 55.50 1b4p n GLN 71 Cb 0.67 -0.19 0.16 0.00 0.11 0.00 0.00 30.24 30.98 1b4p n GLN 71 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1b4p h SER 72 N 0.00 -0.06 -0.83 1.08 4.64 -1.92 -1.13 113.55 115.33 1b4p h SER 72 Ca 0.00 0.15 0.02 0.00 -0.47 0.00 0.00 61.79 61.49 1b4p h SER 72 Cb 0.00 0.21 -0.05 0.00 -0.31 0.00 0.00 62.40 62.26 1b4p h SER 72 CO 0.00 -0.05 0.54 0.78 -0.87 0.00 0.00 176.83 177.22 1b4p h ASN 73 N 0.23 0.90 -0.74 4.97 2.35 -1.96 -0.69 115.58 120.65 1b4p h ASN 73 Ca 0.39 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 56.10 1b4p h ASN 73 Cb 0.65 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.78 1b4p h ASN 73 CO -0.51 0.63 0.36 0.00 -1.65 0.00 0.00 177.43 176.26 1b4p h ALA 74 N 1.33 1.22 -0.27 -0.83 0.00 -1.47 -1.96 119.26 117.27 1b4p h ALA 74 Ca 0.32 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1b4p h ALA 74 Cb -0.04 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1b4p h ALA 74 CO -0.10 0.60 -0.00 0.82 0.00 0.00 0.00 179.25 180.57 1b4p h ILE 75 N 1.07 1.26 -0.97 0.00 2.04 -1.17 -0.82 117.51 118.92 1b4p h ILE 75 Ca 0.26 -0.93 0.04 0.00 1.00 0.00 0.00 64.86 65.23 1b4p h ILE 75 Cb 0.11 1.32 -0.06 0.00 -0.74 0.00 0.00 36.82 37.45 1b4p h ILE 75 CO -0.03 0.30 0.63 0.24 0.00 0.00 0.00 178.15 179.29 1b4p h MET 76 N 0.27 1.18 0.02 2.37 2.86 -0.95 -1.82 114.93 118.85 1b4p h MET 76 Ca 0.08 -0.07 -0.20 0.00 -2.06 0.00 0.00 59.70 57.45 1b4p h MET 76 Cb 0.43 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 31.80 1b4p h MET 76 CO 0.01 0.78 -0.93 0.00 1.06 0.00 0.00 176.91 177.84 1b4p h ARG 77 N 1.21 0.10 0.03 1.72 3.08 -1.13 -0.18 114.38 119.21 1b4p h ARG 77 Ca 0.39 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 60.31 1b4p h ARG 77 Cb 0.02 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1b4p h ARG 77 CO -0.12 0.95 -0.02 -0.92 -1.07 0.00 0.00 179.97 178.79 1b4p h TYR 78 N 0.05 -0.04 -0.84 3.04 3.20 -0.80 -0.32 116.97 121.25 1b4p h TYR 78 Ca -0.03 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.81 1b4p h TYR 78 Cb 1.60 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 39.85 1b4p h TYR 78 CO 0.02 0.12 0.45 -0.07 -1.64 0.00 0.00 178.16 177.04 1b4p h LEU 79 N -0.20 1.06 -0.26 2.82 3.38 -1.07 -2.06 115.31 118.98 1b4p h LEU 79 Ca -0.00 -0.11 0.06 0.00 0.09 0.00 0.00 57.88 57.91 1b4p h LEU 79 Cb 0.18 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.61 1b4p h LEU 79 CO 0.01 0.87 -0.10 0.00 0.09 0.00 0.00 178.44 179.31 1b4p h ALA 80 N 1.24 0.13 -0.53 1.53 0.00 -0.85 -2.00 119.26 118.77 1b4p h ALA 80 Ca 0.29 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.28 1b4p h ALA 80 Cb 0.05 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1b4p h ALA 80 CO -0.04 -0.50 0.25 0.00 0.00 0.00 0.00 179.25 178.95 1b4p h ARG 81 N -0.05 0.78 0.00 0.00 3.08 -0.84 0.44 114.38 117.78 1b4p h ARG 81 Ca 0.13 -0.12 -0.05 0.00 0.07 0.00 0.00 59.98 60.01 1b4p h ARG 81 Cb 0.26 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 1b4p h ARG 81 CO -0.30 0.65 -0.26 -0.22 -1.07 0.00 0.00 179.97 178.77 1b4p h LYS 82 N 0.72 0.00 -0.18 0.04 3.64 -1.04 -3.12 116.57 116.63 1b4p h LYS 82 Ca 0.18 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1b4p h LYS 82 Cb 0.14 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1b4p h LYS 82 CO -0.02 0.26 0.00 0.72 -2.27 0.00 0.00 179.45 178.14 1b4p n HIS 83 N -3.96 0.31 -3.59 1.91 8.25 -0.78 -4.99 115.22 112.36 1b4p n HIS 83 Ca -0.02 -0.59 -0.21 0.00 -0.26 0.00 0.00 57.72 56.63 1b4p n HIS 83 Cb 0.33 -0.08 0.07 0.00 1.12 0.00 0.00 29.99 31.43 1b4p n HIS 83 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1b4p n HIS 84 N -0.16 -2.33 -1.65 4.41 8.25 -0.01 -4.93 115.22 118.80 1b4p n HIS 84 Ca 0.09 0.94 -0.29 0.00 -0.26 0.00 0.00 57.72 58.20 1b4p n HIS 84 Cb 0.44 -4.79 0.06 0.00 1.12 0.00 0.00 29.99 26.82 1b4p n HIS 84 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1b4p n LEU 85 N -4.47 6.33 -4.88 2.41 4.77 0.13 -4.99 117.00 116.31 1b4p n LEU 85 Ca -0.17 -4.48 -0.21 0.00 -0.03 0.00 0.00 56.01 51.12 1b4p n LEU 85 Cb 0.62 -0.68 -0.03 0.00 -2.33 0.00 0.00 43.42 41.01 1b4p n LEU 85 CO 0.65 1.75 -0.06 0.00 -1.33 0.00 0.00 177.39 178.41 1b4p s GLY 87 N -4.01 2.87 -0.00 0.00 0.00 -1.26 -4.95 107.32 99.96 1b4p s GLY 87 Ca 0.41 1.16 0.09 0.00 0.00 0.00 0.00 44.72 46.38 1b4p s GLY 87 CO 0.27 1.69 0.33 1.18 0.00 0.00 0.00 173.10 176.58 1b4p n GLU 88 N -0.33 2.89 -4.53 2.90 1.02 -1.26 -4.74 120.64 116.59 1b4p n GLU 88 Ca 0.06 -0.03 -0.25 0.00 -0.02 0.00 0.00 57.16 56.93 1b4p n GLU 88 Cb 0.45 -1.02 -0.11 0.00 -0.02 0.00 0.00 31.44 30.75 1b4p n GLU 88 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1b4p s THR 89 N -2.09 1.86 0.20 2.62 -4.23 -1.26 -5.04 115.64 107.70 1b4p s THR 89 Ca 0.01 -2.09 -0.11 0.00 -1.18 0.00 0.00 61.69 58.33 1b4p s THR 89 Cb 0.07 -2.74 0.14 0.00 1.34 0.00 0.00 72.50 71.31 1b4p s THR 89 CO 0.38 -0.13 1.84 -0.08 -0.54 0.00 0.00 174.62 176.09 1b4p h GLU 90 N 2.02 0.98 -0.81 3.99 4.57 -1.99 -0.02 114.58 123.32 1b4p h GLU 90 Ca -0.42 -0.09 -0.01 0.00 -1.18 0.00 0.00 59.36 57.66 1b4p h GLU 90 Cb 1.24 -0.21 -0.04 0.00 -0.16 0.00 0.00 28.75 29.59 1b4p h GLU 90 CO 0.73 0.70 0.46 1.49 -1.18 0.00 0.00 179.01 181.21 1b4p h GLU 91 N 0.99 1.11 -0.18 1.92 4.81 -1.98 -1.09 114.58 120.15 1b4p h GLU 91 Ca 0.26 -0.11 -0.18 0.00 -0.13 0.00 0.00 59.36 59.19 1b4p h GLU 91 Cb -0.03 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.12 1b4p h GLU 91 CO -0.05 0.80 -0.62 0.93 -0.73 0.00 0.00 179.01 179.34 1b4p h GLU 92 N 1.12 0.65 -0.48 1.92 5.08 -1.57 -2.25 114.58 119.06 1b4p h GLU 92 Ca 0.29 -0.45 -0.06 0.00 -1.00 0.00 0.00 59.36 58.14 1b4p h GLU 92 Cb -0.01 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 1b4p h GLU 92 CO -0.05 1.07 0.07 0.00 -1.00 0.00 0.00 179.01 179.10 1b4p h ARG 93 N 0.48 0.80 -0.03 2.33 3.08 -0.39 -1.42 114.38 119.23 1b4p h ARG 93 Ca -0.01 -0.22 0.03 0.00 0.07 0.00 0.00 59.98 59.86 1b4p h ARG 93 Cb 1.20 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 31.12 1b4p h ARG 93 CO 0.12 0.81 -0.25 0.82 -1.07 0.00 0.00 179.97 180.40 1b4p h ILE 94 N 0.66 0.43 -0.63 2.04 2.04 -1.16 0.17 117.51 121.07 1b4p h ILE 94 Ca 0.14 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.06 1b4p h ILE 94 Cb 0.41 0.43 -0.05 0.00 -0.74 0.00 0.00 36.82 36.86 1b4p h ILE 94 CO 0.01 0.00 0.34 0.03 0.00 0.00 0.00 178.15 178.53 1b4p h ARG 95 N -0.37 0.61 0.30 2.37 3.08 -1.01 -1.92 114.38 117.44 1b4p h ARG 95 Ca 0.07 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.07 1b4p h ARG 95 Cb 0.47 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1b4p h ARG 95 CO -0.24 0.41 -0.14 0.28 -1.07 0.00 0.00 179.97 179.20 1b4p h VAL 96 N 0.63 0.71 -0.51 2.04 2.07 -1.15 0.14 116.25 120.18 1b4p h VAL 96 Ca 0.28 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.82 1b4p h VAL 96 Cb 0.18 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 1b4p h VAL 96 CO -0.18 0.00 0.29 0.44 0.02 0.00 0.00 177.57 178.14 1b4p h ASP 97 N -0.41 0.46 0.05 0.57 3.32 -0.38 0.44 116.42 120.47 1b4p h ASP 97 Ca -0.04 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 1b4p h ASP 97 Cb 0.31 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 1b4p h ASP 97 CO 0.07 0.32 -0.03 0.58 -1.72 0.00 0.00 179.24 178.45 1b4p h VAL 98 N 0.58 0.93 -0.40 -1.35 2.07 -1.28 -3.00 116.25 113.80 1b4p h VAL 98 Ca 0.21 0.00 -0.12 0.00 0.82 0.00 0.00 66.70 67.61 1b4p h VAL 98 Cb 0.06 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1b4p h VAL 98 CO -0.11 0.00 -0.24 -0.07 0.02 0.00 0.00 177.57 177.16 1b4p h LEU 99 N -0.08 0.83 -0.54 2.57 3.38 -0.67 0.20 115.31 120.99 1b4p h LEU 99 Ca -0.00 -0.31 0.11 0.00 0.09 0.00 0.00 57.88 57.77 1b4p h LEU 99 Cb 0.07 -0.23 -0.11 0.00 0.09 0.00 0.00 40.66 40.48 1b4p h LEU 99 CO 0.00 1.03 -0.22 -0.08 0.09 0.00 0.00 178.44 179.26 1b4p h GLU 100 N 0.70 -0.09 -0.31 1.13 4.81 -0.88 0.29 114.58 120.23 1b4p h GLU 100 Ca 0.09 0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.20 1b4p h GLU 100 Cb 0.77 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 1b4p h GLU 100 CO 0.06 -0.06 -0.32 -0.91 -0.73 0.00 0.00 179.01 177.06 1b4p h ASN 101 N -0.09 0.70 0.03 1.04 2.35 -1.36 -2.51 115.58 115.73 1b4p h ASN 101 Ca 0.25 -0.28 -0.17 0.00 -0.55 0.00 0.00 56.30 55.55 1b4p h ASN 101 Cb 0.48 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.65 1b4p h ASN 101 CO -0.60 0.97 -0.58 -0.61 -1.65 0.00 0.00 177.43 174.96 1b4p h GLN 102 N 0.57 0.56 -0.37 0.81 5.75 -0.26 -2.43 115.11 119.74 1b4p h GLN 102 Ca 0.06 -0.37 -0.08 0.00 -0.15 0.00 0.00 58.65 58.12 1b4p h GLN 102 Cb 0.82 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.40 1b4p h GLN 102 CO 0.07 0.98 -0.09 0.00 -2.65 0.00 0.00 178.83 177.14 1b4p h ALA 103 N 0.94 1.16 0.11 3.38 0.00 -0.39 -0.32 119.26 124.13 1b4p h ALA 103 Ca 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1b4p h ALA 103 Cb 1.13 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1b4p h ALA 103 CO 0.11 0.54 -0.05 1.98 0.00 0.00 0.00 179.25 181.82 1b4p h MET 104 N 0.58 -0.14 -0.79 0.00 1.85 -1.07 -2.01 114.93 113.34 1b4p h MET 104 Ca 0.11 0.01 0.11 0.00 -0.61 0.00 0.00 59.70 59.31 1b4p h MET 104 Cb 0.50 0.03 -0.08 0.00 0.43 0.00 0.00 31.60 32.49 1b4p h MET 104 CO 0.03 0.11 0.42 -0.44 -0.40 0.00 0.00 176.91 176.63 1b4p h ASP 105 N -0.39 0.56 -0.61 1.39 5.19 -0.99 -1.03 116.42 120.55 1b4p h ASP 105 Ca -0.02 0.06 -0.07 0.00 -0.62 0.00 0.00 57.03 56.38 1b4p h ASP 105 Cb 0.32 -0.04 -0.02 0.00 0.18 0.00 0.00 39.33 39.77 1b4p h ASP 105 CO 0.02 0.30 0.09 0.74 -3.12 0.00 0.00 179.24 177.28 1b4p h THR 106 N 0.68 1.26 -0.38 0.35 2.02 -1.01 -1.24 112.91 114.59 1b4p h THR 106 Ca 0.39 -1.01 -0.03 0.00 0.77 0.00 0.00 66.41 66.53 1b4p h THR 106 Cb 0.43 0.73 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 1b4p h THR 106 CO -0.28 0.37 0.13 0.03 0.37 0.00 0.00 175.52 176.14 1b4p h ARG 107 N 0.92 0.59 -0.92 6.66 3.08 -1.13 -1.98 114.38 121.60 1b4p h ARG 107 Ca 0.18 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 1b4p h ARG 107 Cb 0.43 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.35 1b4p h ARG 107 CO 0.01 0.59 0.57 -0.07 -1.07 0.00 0.00 179.97 180.01 1b4p h LEU 108 N 0.47 1.09 -0.67 3.04 3.38 -0.97 -1.68 115.31 119.98 1b4p h LEU 108 Ca 0.12 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 1b4p h LEU 108 Cb 0.24 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1b4p h LEU 108 CO -0.01 0.82 -0.04 0.06 0.09 0.00 0.00 178.44 179.36 1b4p h GLN 109 N 1.26 0.99 -0.61 1.13 3.07 -0.99 0.05 115.11 120.02 1b4p h GLN 109 Ca 0.33 -0.33 -0.10 0.00 0.09 0.00 0.00 58.65 58.65 1b4p h GLN 109 Cb -0.08 -0.09 -0.02 0.00 0.08 0.00 0.00 27.48 27.37 1b4p h GLN 109 CO -0.07 1.00 0.00 1.25 0.09 0.00 0.00 178.83 181.11 1b4p h LEU 110 N 0.90 1.06 -0.71 0.06 5.85 -1.04 -2.74 115.31 118.70 1b4p h LEU 110 Ca 0.16 -0.30 -0.06 0.00 0.84 0.00 0.00 57.88 58.51 1b4p h LEU 110 Cb 0.58 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 1b4p h LEU 110 CO 0.04 1.11 0.22 0.00 -0.34 0.00 0.00 178.44 179.46 1b4p h ALA 111 N 0.99 0.93 -0.45 1.25 0.00 -0.91 -2.26 119.26 118.81 1b4p h ALA 111 Ca 0.17 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.92 1b4p h ALA 111 Cb 0.56 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1b4p h ALA 111 CO 0.03 0.61 0.16 0.52 0.00 0.00 0.00 179.25 180.57 1b4p h MET 112 N 1.04 0.32 -0.27 0.00 2.86 -0.70 0.82 114.93 119.01 1b4p h MET 112 Ca 0.23 -0.02 -0.04 0.00 -2.06 0.00 0.00 59.70 57.81 1b4p h MET 112 Cb 0.31 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 1b4p h MET 112 CO -0.01 0.21 0.02 0.28 1.06 0.00 0.00 176.91 178.48 1b4p h VAL 113 N 0.33 1.24 0.00 -2.22 2.07 -1.28 -2.65 116.25 113.75 1b4p h VAL 113 Ca 0.21 -0.85 -0.07 0.00 0.82 0.00 0.00 66.70 66.81 1b4p h VAL 113 Cb 0.20 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 1b4p h VAL 113 CO -0.21 0.27 -0.33 0.00 0.02 0.00 0.00 177.57 177.32 1b4p n TYR 115 N -3.62 0.21 -2.56 0.00 4.02 0.23 -0.08 117.16 115.34 1b4p n TYR 115 Ca -0.01 0.06 -0.40 0.00 -0.01 0.00 0.00 57.90 57.54 1b4p n TYR 115 Cb 0.45 -0.39 -0.05 0.00 -0.02 0.00 0.00 39.34 39.33 1b4p n TYR 115 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1b4p s SER 116 N -3.52 7.38 0.54 7.72 1.04 -1.00 -4.62 113.70 121.23 1b4p s SER 116 Ca 0.08 2.13 0.20 0.00 0.48 0.00 0.00 55.95 58.85 1b4p s SER 116 Cb 0.16 -2.62 1.42 0.00 0.10 0.00 0.00 66.02 65.08 1b4p s SER 116 CO 0.73 -0.08 2.16 1.55 0.98 0.00 0.00 173.24 178.59 1b4p h PRO 117 N 4.23 0.00 -1.95 4.02 0.13 -1.92 -2.48 132.00 134.04 1b4p h PRO 117 Ca -0.46 0.00 -0.75 0.00 -0.87 0.00 0.00 66.00 63.93 1b4p h PRO 117 Cb 1.21 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.05 1b4p h PRO 117 CO 0.68 0.00 0.81 -0.25 -0.23 0.00 0.00 178.00 179.01 1b4p n ASP 118 N -4.35 7.12 0.10 1.44 8.00 -1.26 -4.73 116.55 122.87 1b4p n ASP 118 Ca -0.02 -3.82 -0.12 0.00 0.71 0.00 0.00 54.79 51.54 1b4p n ASP 118 Cb 0.13 -0.99 -0.06 0.00 -0.02 0.00 0.00 41.12 40.19 1b4p n ASP 118 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1b4p h PHE 119 N 3.00 -0.43 -0.55 1.24 3.57 -1.68 -1.42 116.94 120.67 1b4p h PHE 119 Ca 0.53 0.01 0.16 0.00 3.53 0.00 0.00 57.97 62.19 1b4p h PHE 119 Cb 0.16 0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 1b4p h PHE 119 CO 1.13 -0.25 0.40 0.93 -2.23 0.00 0.00 178.31 178.30 1b4p h GLU 120 N -0.32 0.00 0.09 1.11 4.39 -1.88 0.58 114.58 118.56 1b4p h GLU 120 Ca 0.02 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.55 1b4p h GLU 120 Cb 0.34 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.00 1b4p h GLU 120 CO -0.09 0.00 -0.86 0.00 -1.16 0.00 0.00 179.01 176.90 1b4p h ARG 121 N 0.00 0.20 -0.42 2.33 3.08 -1.84 -3.39 114.38 114.34 1b4p h ARG 121 Ca 0.26 -0.34 -0.14 0.00 0.07 0.00 0.00 59.98 59.83 1b4p h ARG 121 Cb 1.07 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.23 1b4p h ARG 121 CO -0.00 1.16 -0.29 0.87 -1.07 0.00 0.00 179.97 180.64 1b4p h LYS 122 N -0.53 0.91 -0.87 0.04 1.79 -0.42 -3.30 116.57 114.19 1b4p h LYS 122 Ca -0.18 -0.43 0.13 0.00 -2.18 0.00 0.00 60.65 58.00 1b4p h LYS 122 Cb 1.52 -0.01 -0.14 0.00 -1.58 0.00 0.00 32.23 32.02 1b4p h LYS 122 CO 0.07 1.08 -0.41 -0.22 -1.08 0.00 0.00 179.45 178.89 1b4p h LYS 123 N 0.77 -0.06 -0.72 3.15 3.64 -0.06 0.14 116.57 123.45 1b4p h LYS 123 Ca 0.09 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.54 1b4p h LYS 123 Cb 0.86 0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.64 1b4p h LYS 123 CO 0.08 -0.04 0.39 -1.00 -2.27 0.00 0.00 179.45 176.61 1b4p h PRO 124 N -0.06 0.68 -0.09 1.90 0.13 -1.78 0.54 132.00 133.32 1b4p h PRO 124 Ca 0.28 -0.04 -0.12 0.00 -0.87 0.00 0.00 66.00 65.25 1b4p h PRO 124 Cb 0.56 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.53 1b4p h PRO 124 CO -0.89 0.45 -0.49 0.93 -0.23 0.00 0.00 178.00 177.76 1b4p h GLU 125 N 0.70 0.24 -0.18 0.86 5.08 -1.06 -1.53 114.58 118.69 1b4p h GLU 125 Ca 0.33 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.51 1b4p h GLU 125 Cb 0.26 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1b4p h GLU 125 CO -0.21 0.69 -0.06 -0.92 -1.00 0.00 0.00 179.01 177.50 1b4p h TYR 126 N 0.19 0.40 -0.66 4.33 3.20 -0.11 -2.96 116.97 121.36 1b4p h TYR 126 Ca 0.01 -0.09 0.01 0.00 3.14 0.00 0.00 58.73 61.80 1b4p h TYR 126 Cb 0.94 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 39.08 1b4p h TYR 126 CO 0.02 0.63 0.44 -0.07 -1.64 0.00 0.00 178.16 177.54 1b4p h LEU 127 N 0.06 0.74 -1.49 2.82 3.38 -0.68 -2.31 115.31 117.83 1b4p h LEU 127 Ca 0.04 -0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.10 1b4p h LEU 127 Cb 0.51 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.03 1b4p h LEU 127 CO 0.02 0.53 0.47 -0.33 0.09 0.00 0.00 178.44 179.22 1b4p h GLU 128 N 0.87 0.55 -0.02 1.13 4.39 -1.11 -1.96 114.58 118.44 1b4p h GLU 128 Ca 0.25 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.92 1b4p h GLU 128 Cb -0.06 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.47 1b4p h GLU 128 CO -0.06 0.36 -0.18 0.41 -1.16 0.00 0.00 179.01 178.39 1b4p n GLY 129 N -1.48 0.01 0.26 -3.84 0.00 -0.89 -4.42 105.19 94.83 1b4p n GLY 129 Ca 0.12 -0.52 -0.07 0.00 0.00 0.00 0.00 46.02 45.55 1b4p n GLY 129 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1b4p h LEU 130 N 2.47 0.81 -1.37 0.99 5.85 -1.07 -2.35 115.31 120.63 1b4p h LEU 130 Ca 0.00 -0.17 0.13 0.00 0.84 0.00 0.00 57.88 58.68 1b4p h LEU 130 Cb 0.65 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.41 1b4p h LEU 130 CO 0.00 0.76 0.54 -0.65 -0.34 0.00 0.00 178.44 178.74 1b4p h PRO 131 N 0.81 0.63 -0.33 5.25 0.11 -1.77 -1.13 132.00 135.57 1b4p h PRO 131 Ca 0.20 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 66.15 1b4p h PRO 131 Cb 0.20 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 31.16 1b4p h PRO 131 CO -0.02 0.42 -0.26 0.93 -0.21 0.00 0.00 178.00 178.86 1b4p h GLU 132 N 0.65 0.76 -0.63 1.05 3.07 -1.72 -1.85 114.58 115.90 1b4p h GLU 132 Ca 0.40 -0.37 -0.02 0.00 -0.50 0.00 0.00 59.36 58.86 1b4p h GLU 132 Cb 0.64 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.52 1b4p h GLU 132 CO -0.16 0.99 0.30 0.87 -1.40 0.00 0.00 179.01 179.61 1b4p h LYS 133 N 0.53 0.92 -0.50 2.33 1.57 -1.15 -2.63 116.57 117.63 1b4p h LYS 133 Ca 0.06 -0.14 -0.11 0.00 -1.87 0.00 0.00 60.65 58.60 1b4p h LYS 133 Cb 0.82 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 1b4p h LYS 133 CO 0.07 0.74 -0.10 0.52 -0.57 0.00 0.00 179.45 180.11 1b4p h MET 134 N 0.87 0.95 -0.84 3.15 2.86 -1.17 -2.44 114.93 118.32 1b4p h MET 134 Ca 0.22 -0.35 0.06 0.00 -2.06 0.00 0.00 59.70 57.57 1b4p h MET 134 Cb 0.13 -0.06 -0.06 0.00 0.06 0.00 0.00 31.60 31.67 1b4p h MET 134 CO -0.03 1.02 0.51 -0.22 1.06 0.00 0.00 176.91 179.25 1b4p h LYS 135 N 0.81 0.90 -0.20 1.72 3.64 -1.20 -0.29 116.57 121.96 1b4p h LYS 135 Ca 0.13 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.37 1b4p h LYS 135 Cb 0.65 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.27 1b4p h LYS 135 CO 0.05 0.60 -0.19 -0.07 -2.27 0.00 0.00 179.45 177.56 1b4p h LEU 136 N 0.93 0.51 -0.64 5.20 3.38 -1.19 0.28 115.31 123.78 1b4p h LEU 136 Ca 0.37 -0.47 0.02 0.00 0.09 0.00 0.00 57.88 57.89 1b4p h LEU 136 Cb 0.19 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1b4p h LEU 136 CO -0.18 0.88 0.40 1.88 0.09 0.00 0.00 178.44 181.51 1b4p h TYR 137 N 0.16 0.75 -0.62 1.13 0.05 -1.09 -1.12 116.97 116.23 1b4p h TYR 137 Ca 0.03 0.02 -0.05 0.00 0.05 0.00 0.00 58.73 58.78 1b4p h TYR 137 Cb 0.73 -0.25 -0.03 0.00 1.01 0.00 0.00 36.73 38.20 1b4p h TYR 137 CO 0.08 0.44 0.18 1.03 -1.05 0.00 0.00 178.16 178.84 1b4p h SER 138 N 0.79 0.91 -0.12 3.88 0.87 -0.77 -0.07 113.55 119.04 1b4p h SER 138 Ca 0.25 -0.21 -0.13 0.00 -1.23 0.00 0.00 61.79 60.47 1b4p h SER 138 Cb 0.00 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.71 1b4p h SER 138 CO -0.10 0.89 -0.35 -0.33 -0.53 0.00 0.00 176.83 176.41 1b4p h GLU 139 N 0.89 0.62 -0.34 2.24 4.39 -0.41 -1.71 114.58 120.27 1b4p h GLU 139 Ca 0.20 -0.29 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1b4p h GLU 139 Cb 0.31 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 1b4p h GLU 139 CO -0.00 0.88 0.21 0.35 -1.16 0.00 0.00 179.01 179.28 1b4p h PHE 140 N 0.52 0.44 -0.45 4.33 3.57 -0.71 -3.10 116.94 121.54 1b4p h PHE 140 Ca 0.06 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.51 1b4p h PHE 140 Cb 0.84 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.42 1b4p h PHE 140 CO 0.04 0.30 0.10 1.25 -2.23 0.00 0.00 178.31 177.77 1b4p h LEU 141 N 0.44 0.68 0.00 0.59 5.85 -0.76 -3.48 115.31 118.64 1b4p h LEU 141 Ca 0.12 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1b4p h LEU 141 Cb -0.01 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.83 1b4p h LEU 141 CO -0.02 0.75 0.00 0.61 -0.34 0.00 0.00 178.44 179.43 1b4p n GLY 142 N -0.57 2.76 1.12 3.75 0.00 -0.67 -2.08 105.19 109.50 1b4p n GLY 142 Ca 0.00 -0.26 0.09 0.00 0.00 0.00 0.00 46.02 45.85 1b4p n GLY 142 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1b4p n LYS 143 N 13.50 3.12 -2.51 1.61 5.02 -1.26 -4.92 118.16 132.71 1b4p n LYS 143 Ca 0.00 -2.55 -0.32 0.00 -2.02 0.00 0.00 58.31 53.42 1b4p n LYS 143 Cb 0.00 -1.60 -0.04 0.00 -0.02 0.00 0.00 35.03 33.37 1b4p n LYS 143 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1b4p s GLN 144 N -1.49 4.01 0.29 1.97 -0.21 -0.89 -4.95 119.66 118.39 1b4p s GLN 144 Ca 0.40 1.01 0.06 0.00 0.02 0.00 0.00 55.36 56.85 1b4p s GLN 144 Cb 0.24 -2.14 0.43 0.00 1.00 0.00 0.00 33.01 32.54 1b4p s GLN 144 CO 0.22 -0.22 1.69 -1.00 -2.12 0.00 0.00 175.29 173.86 1b4p h PRO 145 N 1.19 0.28 -4.77 2.91 0.13 -1.89 -3.46 132.00 126.38 1b4p h PRO 145 Ca -0.47 -0.13 -0.31 0.00 -0.87 0.00 0.00 66.00 64.21 1b4p h PRO 145 Cb 1.18 -0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.17 1b4p h PRO 145 CO 0.61 0.64 -0.61 -1.58 -0.23 0.00 0.00 178.00 176.83 1b4p s TRP 146 N -4.16 1.40 0.23 1.56 0.52 -1.08 -4.91 118.94 112.49 1b4p s TRP 146 Ca -0.05 -1.27 -0.01 0.00 0.02 0.00 0.00 56.10 54.80 1b4p s TRP 146 Cb 0.13 -0.76 0.25 0.00 -1.15 0.00 0.00 33.47 31.94 1b4p s TRP 146 CO 0.78 -0.47 1.61 0.74 0.02 0.00 0.00 176.95 179.63 1b4p h PHE 147 N 2.47 0.64 0.00 -1.98 -1.00 -1.89 -2.74 116.94 112.43 1b4p h PHE 147 Ca -0.37 -0.18 -0.06 0.00 2.81 0.00 0.00 57.97 60.17 1b4p h PHE 147 Cb 1.25 -0.14 -0.01 0.00 3.61 0.00 0.00 35.95 40.66 1b4p h PHE 147 CO 0.45 0.85 -0.30 0.00 -1.61 0.00 0.00 178.31 177.69 1b4p h ALA 148 N 1.13 0.86 0.00 2.45 0.00 -1.93 -3.47 119.26 118.30 1b4p h ALA 148 Ca 0.04 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1b4p h ALA 148 Cb 0.87 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1b4p h ALA 148 CO 0.07 0.37 0.00 0.41 0.00 0.00 0.00 179.25 180.11 1b4p n GLY 149 N 0.82 0.24 0.07 0.00 0.00 -1.04 -4.66 105.19 100.62 1b4p n GLY 149 Ca 0.02 -0.51 0.12 0.00 0.00 0.00 0.00 46.02 45.65 1b4p n GLY 149 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1b4p n ASN 150 N 0.00 0.67 -4.68 1.61 3.02 -1.26 -2.63 115.26 111.98 1b4p n ASN 150 Ca 0.00 0.23 -0.35 0.00 -0.03 0.00 0.00 54.58 54.43 1b4p n ASN 150 Cb 0.00 -0.13 -0.09 0.00 -0.61 0.00 0.00 39.78 38.95 1b4p n ASN 150 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1b4p s LYS 151 N -3.12 3.26 0.25 3.52 2.20 -1.26 -4.88 119.74 119.70 1b4p s LYS 151 Ca 0.08 -0.37 -0.30 0.00 -0.36 0.00 0.00 55.97 55.02 1b4p s LYS 151 Cb 0.14 -2.92 -0.09 0.00 -1.51 0.00 0.00 37.83 33.45 1b4p s LYS 151 CO 0.67 0.60 1.15 -1.50 -0.36 0.00 0.00 175.35 175.92 1b4p s ILE 152 N -0.59 3.44 0.35 5.43 2.07 -1.26 -4.52 121.20 126.12 1b4p s ILE 152 Ca 0.10 1.36 0.03 0.00 -1.41 0.00 0.00 60.65 60.74 1b4p s ILE 152 Cb -0.12 -3.87 -0.01 0.00 0.13 0.00 0.00 42.46 38.59 1b4p s ILE 152 CO 0.02 0.29 0.13 0.35 -1.91 0.00 0.00 174.94 173.82 1b4p n THR 153 N 1.60 0.00 0.30 4.00 -2.24 -1.26 -4.80 114.28 111.88 1b4p n THR 153 Ca 0.01 -2.03 0.19 0.00 -2.27 0.00 0.00 64.05 59.95 1b4p n THR 153 Cb 0.44 0.73 0.93 0.00 -2.10 0.00 0.00 70.33 70.34 1b4p n THR 153 CO 0.00 0.00 0.00 0.10 -0.57 0.00 0.00 175.07 174.60 1b4p h TYR 154 N 1.58 0.00 0.00 4.78 -0.00 -1.40 -2.61 116.97 119.32 1b4p h TYR 154 Ca -0.27 0.00 -0.06 0.00 0.00 0.00 0.00 58.73 58.40 1b4p h TYR 154 Cb 1.04 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.76 1b4p h TYR 154 CO 0.00 0.02 -0.27 -0.39 -0.00 0.00 0.00 178.16 177.53 1b4p h VAL 155 N 0.00 0.85 -0.37 -0.90 -1.51 -1.93 -2.61 116.25 109.78 1b4p h VAL 155 Ca -0.00 -1.06 -0.00 0.00 -1.23 0.00 0.00 66.70 64.41 1b4p h VAL 155 Cb 0.25 1.63 -0.02 0.00 -2.13 0.00 0.00 31.29 31.03 1b4p h VAL 155 CO 0.00 0.26 0.21 0.44 -1.23 0.00 0.00 177.57 177.26 1b4p h ASP 156 N 0.00 0.44 -0.25 4.19 3.32 -1.88 0.25 116.42 122.49 1b4p h ASP 156 Ca -0.00 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 1b4p h ASP 156 Cb 0.61 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 1b4p h ASP 156 CO 0.03 0.35 0.11 -0.26 -1.72 0.00 0.00 179.24 177.76 1b4p h PHE 157 N 0.51 0.37 -0.17 4.55 -1.00 -1.61 0.15 116.94 119.74 1b4p h PHE 157 Ca 0.13 -0.02 -0.12 0.00 2.81 0.00 0.00 57.97 60.77 1b4p h PHE 157 Cb 0.00 -0.11 -0.01 0.00 3.61 0.00 0.00 35.95 39.44 1b4p h PHE 157 CO 0.00 0.37 -0.42 -0.07 -1.61 0.00 0.00 178.31 176.58 1b4p h LEU 158 N 0.26 0.41 -0.40 1.54 3.38 -1.46 -2.78 115.31 116.26 1b4p h LEU 158 Ca 0.09 -0.18 -0.18 0.00 0.09 0.00 0.00 57.88 57.69 1b4p h LEU 158 Cb 0.15 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1b4p h LEU 158 CO -0.01 0.79 -0.78 0.58 0.09 0.00 0.00 178.44 179.11 1b4p h VAL 159 N 0.32 1.43 -0.45 1.22 2.07 -0.79 -2.53 116.25 117.53 1b4p h VAL 159 Ca 0.03 -2.33 0.06 0.00 0.82 0.00 0.00 66.70 65.28 1b4p h VAL 159 Cb 0.88 2.26 -0.05 0.00 -1.52 0.00 0.00 31.29 32.85 1b4p h VAL 159 CO 0.07 0.69 0.14 0.22 0.02 0.00 0.00 177.57 178.71 1b4p h TYR 160 N 0.17 0.24 -0.25 1.57 3.20 -1.01 -1.36 116.97 119.54 1b4p h TYR 160 Ca -0.03 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 1b4p h TYR 160 Cb 1.36 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.58 1b4p h TYR 160 CO 0.03 0.07 0.15 0.22 -1.64 0.00 0.00 178.16 176.99 1b4p h ASP 161 N 0.30 0.29 -0.21 -2.11 3.58 -1.18 0.78 116.42 117.87 1b4p h ASP 161 Ca 0.21 -0.05 0.04 0.00 0.42 0.00 0.00 57.03 57.66 1b4p h ASP 161 Cb 0.23 -0.07 -0.04 0.00 1.72 0.00 0.00 39.33 41.16 1b4p h ASP 161 CO -0.23 0.25 -0.06 0.58 -2.88 0.00 0.00 179.24 176.90 1b4p h VAL 162 N 0.31 0.77 0.09 2.25 2.07 -0.97 -0.52 116.25 120.24 1b4p h VAL 162 Ca 0.09 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 1b4p h VAL 162 Cb 0.01 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.55 1b4p h VAL 162 CO -0.02 0.00 -0.04 -0.07 0.02 0.00 0.00 177.57 177.46 1b4p h LEU 163 N -0.02 -0.10 -0.06 2.57 3.38 -0.94 -2.19 115.31 117.96 1b4p h LEU 163 Ca 0.10 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.05 1b4p h LEU 163 Cb 0.17 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 1b4p h LEU 163 CO -0.22 -0.02 -0.09 -0.78 0.09 0.00 0.00 178.44 177.42 1b4p h ASP 164 N -0.16 -0.27 -0.48 -0.43 3.58 -0.79 -1.06 116.42 116.81 1b4p h ASP 164 Ca -0.01 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.49 1b4p h ASP 164 Cb 0.13 0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.29 1b4p h ASP 164 CO 0.02 -0.13 0.31 1.56 -2.88 0.00 0.00 179.24 178.12 1b4p h GLN 165 N -0.13 0.64 -0.02 0.28 4.20 -1.01 -1.47 115.11 117.60 1b4p h GLN 165 Ca 0.05 -0.04 -0.16 0.00 0.06 0.00 0.00 58.65 58.56 1b4p h GLN 165 Cb 0.20 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1b4p h GLN 165 CO -0.13 0.43 -0.73 0.45 -0.67 0.00 0.00 178.83 178.18 1b4p h HIS 166 N 0.66 0.21 0.00 2.96 3.86 -0.72 -2.31 115.15 119.80 1b4p h HIS 166 Ca 0.18 -0.10 -0.05 0.00 -1.16 0.00 0.00 60.37 59.24 1b4p h HIS 166 Cb -0.06 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.37 1b4p h HIS 166 CO 0.00 0.82 -0.26 0.07 0.86 0.00 0.00 177.93 179.43 1b4p h ARG 167 N 0.10 0.00 -0.20 2.45 -0.00 -0.93 0.39 114.38 116.19 1b4p h ARG 167 Ca -0.02 0.00 -0.14 0.00 -0.00 0.00 0.00 59.98 59.82 1b4p h ARG 167 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.25 1b4p h ARG 167 CO 0.11 0.26 -0.41 0.82 -0.00 0.00 0.00 179.97 180.74 1b4p h ILE 168 N 0.00 1.33 -0.51 0.08 2.04 -1.10 -2.54 117.51 116.81 1b4p h ILE 168 Ca -0.00 -1.64 -0.08 0.00 1.00 0.00 0.00 64.86 64.13 1b4p h ILE 168 Cb 1.07 1.87 -0.02 0.00 -0.74 0.00 0.00 36.82 39.00 1b4p h ILE 168 CO 0.03 0.51 -0.00 0.15 0.00 0.00 0.00 178.15 178.84 1b4p h PHE 169 N 0.31 0.99 -2.07 1.37 3.57 -1.08 -3.40 116.94 116.62 1b4p h PHE 169 Ca 0.00 -0.17 -0.37 0.00 3.53 0.00 0.00 57.97 60.96 1b4p h PHE 169 Cb 1.01 -0.26 -0.32 0.00 2.79 0.00 0.00 35.95 39.17 1b4p h PHE 169 CO 0.09 0.92 -0.68 -2.00 -2.23 0.00 0.00 178.31 174.40 1b4p s GLU 170 N -5.01 0.53 0.64 1.11 2.56 0.10 -5.03 118.70 113.59 1b4p s GLU 170 Ca -0.12 -0.67 0.34 0.00 0.00 0.00 0.00 54.97 54.53 1b4p s GLU 170 Cb 0.12 -0.75 1.92 0.00 2.00 0.00 0.00 34.13 37.41 1b4p s GLU 170 CO 0.83 -1.14 2.14 -1.35 -0.56 0.00 0.00 175.26 175.18 1b4p h PRO 171 N 7.46 0.00 -0.01 4.30 0.11 -1.68 -2.45 132.00 139.73 1b4p h PRO 171 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1b4p h PRO 171 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1b4p h PRO 171 CO 0.25 0.00 -0.25 0.36 -0.21 0.00 0.00 178.00 178.15 1b4p n LYS 172 N -3.30 1.04 0.28 1.05 2.85 -1.26 -4.53 118.16 114.29 1b4p n LYS 172 Ca -0.01 -0.67 0.14 0.00 -1.05 0.00 0.00 58.31 56.72 1b4p n LYS 172 Cb 0.25 -1.49 0.82 0.00 -0.65 0.00 0.00 35.03 33.97 1b4p n LYS 172 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1b4p n LEU 174 N -3.72 0.78 0.28 0.00 4.32 -1.26 -4.49 117.00 112.91 1b4p n LEU 174 Ca -0.02 -0.28 0.14 0.00 -0.02 0.00 0.00 56.01 55.82 1b4p n LEU 174 Cb 0.17 -0.10 0.85 0.00 -1.62 0.00 0.00 43.42 42.72 1b4p n LEU 174 CO 0.29 0.19 1.12 0.44 -1.22 0.00 0.00 177.39 178.20 1b4p h ASP 175 N 0.00 0.00 -0.24 -1.43 5.19 -1.65 -1.24 116.42 117.05 1b4p h ASP 175 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1b4p h ASP 175 Cb 0.52 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.03 1b4p h ASP 175 CO 0.00 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.12 1b4p n ALA 176 N -2.38 2.48 -3.57 3.45 0.00 -1.26 -4.60 120.51 114.64 1b4p n ALA 176 Ca -0.03 -0.71 -0.29 0.00 0.00 0.00 0.00 53.44 52.42 1b4p n ALA 176 Cb 0.10 -0.99 -0.12 0.00 0.00 0.00 0.00 19.45 18.44 1b4p n ALA 176 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1b4p s PHE 177 N -1.69 1.51 0.32 0.00 0.08 -0.47 -5.00 117.98 112.73 1b4p s PHE 177 Ca 0.34 -2.25 0.05 0.00 0.12 0.00 0.00 56.93 55.20 1b4p s PHE 177 Cb 0.20 -1.41 0.54 0.00 -0.57 0.00 0.00 43.02 41.78 1b4p s PHE 177 CO 0.29 -0.79 1.80 -1.00 -0.10 0.00 0.00 175.22 175.42 1b4p h PRO 178 N 6.39 0.43 0.00 0.24 0.13 -1.81 -2.08 132.00 135.29 1b4p h PRO 178 Ca 0.10 -0.13 -0.04 0.00 -0.87 0.00 0.00 66.00 65.07 1b4p h PRO 178 Cb 0.92 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.00 1b4p h PRO 178 CO 0.41 0.59 -0.17 -2.95 -0.23 0.00 0.00 178.00 175.64 1b4p h ASN 179 N 0.39 0.00 -0.06 1.44 -1.07 -1.92 -0.22 115.58 114.14 1b4p h ASN 179 Ca 0.07 0.00 -0.24 0.00 0.07 0.00 0.00 56.30 56.20 1b4p h ASN 179 Cb 0.52 0.00 0.02 0.00 -2.07 0.00 0.00 38.32 36.79 1b4p h ASN 179 CO 0.03 0.17 -0.90 -0.07 0.07 0.00 0.00 177.43 176.73 1b4p h LEU 180 N 0.00 0.89 -0.21 6.14 3.38 -1.73 -0.91 115.31 122.88 1b4p h LEU 180 Ca -0.00 -0.70 -0.00 0.00 0.09 0.00 0.00 57.88 57.27 1b4p h LEU 180 Cb 0.33 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1b4p h LEU 180 CO 0.02 1.46 0.12 0.11 0.09 0.00 0.00 178.44 180.24 1b4p h LYS 181 N 0.40 0.29 -0.34 1.13 1.57 -1.02 -2.14 116.57 116.47 1b4p h LYS 181 Ca -0.10 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1b4p h LYS 181 Cb 1.55 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.79 1b4p h LYS 181 CO 0.18 0.27 0.22 -0.44 -0.57 0.00 0.00 179.45 179.11 1b4p h ASP 182 N 0.23 0.38 -0.36 0.86 3.32 -1.09 -1.66 116.42 118.10 1b4p h ASP 182 Ca 0.07 -0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.16 1b4p h ASP 182 Cb 0.06 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.48 1b4p h ASP 182 CO -0.01 0.27 0.13 0.15 -1.72 0.00 0.00 179.24 178.06 1b4p h PHE 183 N 0.45 0.22 -0.30 4.55 3.57 -0.86 -1.67 116.94 122.90 1b4p h PHE 183 Ca 0.12 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.71 1b4p h PHE 183 Cb -0.05 -0.05 -0.07 0.00 2.79 0.00 0.00 35.95 38.58 1b4p h PHE 183 CO -0.06 0.09 -0.14 0.28 -2.23 0.00 0.00 178.31 176.25 1b4p h VAL 184 N 0.28 0.55 -0.48 1.41 2.07 -1.11 0.20 116.25 119.18 1b4p h VAL 184 Ca 0.16 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.69 1b4p h VAL 184 Cb 0.14 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1b4p h VAL 184 CO -0.17 0.00 0.32 0.00 0.02 0.00 0.00 177.57 177.74 1b4p h ALA 185 N 1.13 0.61 -0.44 1.67 0.00 -1.28 -0.53 119.26 120.44 1b4p h ALA 185 Ca 0.15 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1b4p h ALA 185 Cb 0.34 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1b4p h ALA 185 CO -0.36 0.06 -0.07 0.07 0.00 0.00 0.00 179.25 178.94 1b4p h ARG 186 N 0.65 0.75 -0.12 0.00 0.11 -0.88 -0.74 114.38 114.16 1b4p h ARG 186 Ca 0.18 -0.23 -0.04 0.00 0.10 0.00 0.00 59.98 59.98 1b4p h ARG 186 Cb -0.07 -0.07 -0.00 0.00 1.11 0.00 0.00 29.97 30.93 1b4p h ARG 186 CO -0.04 0.81 -0.10 0.35 0.10 0.00 0.00 179.97 181.09 1b4p h PHE 187 N 0.69 0.33 0.00 4.08 3.57 -0.10 -2.51 116.94 123.00 1b4p h PHE 187 Ca 0.13 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1b4p h PHE 187 Cb 0.53 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.20 1b4p h PHE 187 CO 0.03 0.67 0.00 0.39 -2.23 0.00 0.00 178.31 177.17 1b4p n GLU 188 N -4.63 0.02 0.01 1.11 1.02 -0.25 -2.36 120.64 115.56 1b4p n GLU 188 Ca -0.06 0.42 0.11 0.00 -0.02 0.00 0.00 57.16 57.61 1b4p n GLU 188 Cb 0.33 -1.56 0.01 0.00 -0.02 0.00 0.00 31.44 30.20 1b4p n GLU 188 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1b4p n GLY 189 N -0.89 -1.13 3.76 0.62 0.00 -0.30 -3.63 105.19 103.62 1b4p n GLY 189 Ca 0.01 -0.47 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 1b4p n GLY 189 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1b4p s LEU 190 N -3.42 4.35 0.11 0.99 1.43 -0.99 -4.79 118.68 116.37 1b4p s LEU 190 Ca 0.06 2.90 -0.30 0.00 -1.03 0.00 0.00 54.13 55.77 1b4p s LEU 190 Cb 0.16 -3.65 -0.09 0.00 0.03 0.00 0.00 46.19 42.64 1b4p s LEU 190 CO 0.81 -0.81 1.61 0.50 0.23 0.00 0.00 176.35 178.68 1b4p h LYS 191 N 4.01 -0.59 -0.53 1.70 1.63 -1.90 0.25 116.57 121.14 1b4p h LYS 191 Ca -0.48 0.04 0.06 0.00 -0.85 0.00 0.00 60.65 59.41 1b4p h LYS 191 Cb 1.23 0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 32.96 1b4p h LYS 191 CO 0.72 -0.39 0.36 0.87 -3.45 0.00 0.00 179.45 177.55 1b4p h LYS 192 N -0.61 0.49 -0.03 1.90 1.79 -1.92 0.38 116.57 118.58 1b4p h LYS 192 Ca 0.02 -0.03 -0.06 0.00 -2.18 0.00 0.00 60.65 58.40 1b4p h LYS 192 Cb 0.63 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.17 1b4p h LYS 192 CO -0.20 0.32 -0.22 0.82 -1.08 0.00 0.00 179.45 179.09 1b4p h ILE 193 N 0.50 1.49 -0.43 1.86 1.08 -1.75 -1.89 117.51 118.38 1b4p h ILE 193 Ca 0.23 -1.76 -0.03 0.00 -0.39 0.00 0.00 64.86 62.91 1b4p h ILE 193 Cb 0.26 2.53 -0.02 0.00 -3.07 0.00 0.00 36.82 36.53 1b4p h ILE 193 CO -0.06 0.49 0.15 0.77 -0.69 0.00 0.00 178.15 178.80 1b4p h SER 194 N -0.39 0.62 -0.54 1.72 4.64 -0.17 -2.15 113.55 117.29 1b4p h SER 194 Ca -0.02 -0.20 0.10 0.00 -0.47 0.00 0.00 61.79 61.21 1b4p h SER 194 Cb 0.91 -0.16 -0.08 0.00 -0.31 0.00 0.00 62.40 62.75 1b4p h SER 194 CO 0.05 0.65 0.05 0.44 -0.87 0.00 0.00 176.83 177.15 1b4p h ASP 195 N 0.56 -0.13 -0.67 4.97 3.32 -1.00 -2.85 116.42 120.61 1b4p h ASP 195 Ca 0.14 0.12 0.06 0.00 0.02 0.00 0.00 57.03 57.37 1b4p h ASP 195 Cb 0.25 0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.93 1b4p h ASP 195 CO -0.01 -0.04 0.38 0.22 -1.72 0.00 0.00 179.24 178.07 1b4p h TYR 196 N 0.17 0.70 0.00 4.55 3.20 -1.03 -2.72 116.97 121.83 1b4p h TYR 196 Ca 0.28 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.17 1b4p h TYR 196 Cb 0.42 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.48 1b4p h TYR 196 CO -0.29 0.34 0.00 0.52 -1.64 0.00 0.00 178.16 177.09 1b4p h MET 197 N 0.70 0.00 -0.04 1.82 0.00 -1.16 -1.24 114.93 115.01 1b4p h MET 197 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 59.70 60.00 1b4p h MET 197 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 31.60 31.78 1b4p h MET 197 CO -0.18 0.00 0.00 1.63 0.00 0.00 0.00 176.91 178.36 1b4p n LYS 198 N -2.93 1.48 -2.73 1.72 5.02 -1.05 -4.93 118.16 114.75 1b4p n LYS 198 Ca -0.02 -1.58 -0.20 0.00 -2.02 0.00 0.00 58.31 54.49 1b4p n LYS 198 Cb 0.11 -1.34 0.04 0.00 -0.02 0.00 0.00 35.03 33.82 1b4p n LYS 198 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1b4p s SER 199 N -1.44 5.28 0.00 4.39 1.04 -0.47 -4.98 113.70 117.53 1b4p s SER 199 Ca 0.21 -0.16 0.28 0.00 0.48 0.00 0.00 55.95 56.77 1b4p s SER 199 Cb 0.15 -0.72 1.61 0.00 0.10 0.00 0.00 66.02 67.16 1b4p s SER 199 CO 0.22 -1.12 2.05 0.61 0.98 0.00 0.00 173.24 175.98 1b4p n GLY 200 N -2.27 -0.84 0.05 7.32 0.00 -1.26 -2.86 105.19 105.33 1b4p n GLY 200 Ca 0.09 -0.22 0.12 0.00 0.00 0.00 0.00 46.02 46.01 1b4p n GLY 200 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b4p n ARG 201 N -0.78 0.19 -2.30 1.61 1.74 -1.26 -4.91 116.66 110.95 1b4p n ARG 201 Ca 0.21 0.08 -0.41 0.00 -0.77 0.00 0.00 57.85 56.96 1b4p n ARG 201 Cb 0.14 -1.64 -0.03 0.00 -1.02 0.00 0.00 32.46 29.90 1b4p n ARG 201 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1b4p s PHE 202 N -3.10 3.33 -0.37 -1.55 5.36 -1.13 -5.02 117.98 115.49 1b4p s PHE 202 Ca 0.09 1.51 0.01 0.00 -0.96 0.00 0.00 56.93 57.57 1b4p s PHE 202 Cb 0.15 -3.48 0.14 0.00 -0.34 0.00 0.00 43.02 39.48 1b4p s PHE 202 CO 0.68 -1.26 0.22 -1.17 -1.46 0.00 0.00 175.22 172.23 1b4p s LEU 203 N -1.26 1.31 0.03 6.12 2.96 -1.26 -5.01 118.68 121.57 1b4p s LEU 203 Ca 0.49 -2.31 0.01 0.00 -0.22 0.00 0.00 54.13 52.09 1b4p s LEU 203 Cb -0.35 -0.51 -0.26 0.00 0.50 0.00 0.00 46.19 45.57 1b4p s LEU 203 CO 0.44 -0.29 0.97 0.77 -1.32 0.00 0.00 176.35 176.92 1b4p h SER 204 N 6.89 0.26 -5.25 3.68 4.64 -1.99 -3.42 113.55 118.36 1b4p h SER 204 Ca 0.06 -0.34 -0.12 0.00 -0.47 0.00 0.00 61.79 60.92 1b4p h SER 204 Cb 0.96 -0.08 -0.15 0.00 -0.31 0.00 0.00 62.40 62.82 1b4p h SER 204 CO 0.31 1.28 -0.63 -0.54 -0.87 0.00 0.00 176.83 176.37 1b4p s LYS 205 N -2.64 0.68 0.78 4.77 1.02 -1.26 -4.57 119.74 118.52 1b4p s LYS 205 Ca -0.05 -1.21 -0.11 0.00 0.02 0.00 0.00 55.97 54.62 1b4p s LYS 205 Cb 0.08 0.23 0.06 0.00 -0.52 0.00 0.00 37.83 37.68 1b4p s LYS 205 CO 0.85 -0.15 1.09 -1.25 -0.92 0.00 0.00 175.35 174.96 1b4p s PRO 206 N -3.93 2.18 -0.17 -1.68 0.04 -1.26 -4.77 135.00 125.41 1b4p s PRO 206 Ca 0.09 1.08 -0.24 0.00 0.04 0.00 0.00 61.00 61.96 1b4p s PRO 206 Cb 0.07 -1.89 -0.21 0.00 0.04 0.00 0.00 34.50 32.51 1b4p s PRO 206 CO -0.09 -1.67 0.48 0.82 0.04 0.00 0.00 177.00 176.58 1b4p h ILE 207 N -1.15 1.31 -2.07 0.56 2.04 -1.66 -1.09 117.51 115.45 1b4p h ILE 207 Ca -0.45 -2.19 -0.47 0.00 1.00 0.00 0.00 64.86 62.76 1b4p h ILE 207 Cb 1.24 2.67 -0.02 0.00 -0.74 0.00 0.00 36.82 39.97 1b4p h ILE 207 CO 0.53 0.44 -0.43 -0.36 0.00 0.00 0.00 178.15 178.32 1b4p s PHE 208 N -2.25 3.24 0.73 1.37 0.08 -0.54 0.19 117.98 120.80 1b4p s PHE 208 Ca -0.22 -0.12 -0.13 0.00 0.12 0.00 0.00 56.93 56.58 1b4p s PHE 208 Cb 0.01 -1.65 0.04 0.00 -0.57 0.00 0.00 43.02 40.85 1b4p s PHE 208 CO 0.61 0.33 1.13 0.00 -0.10 0.00 0.00 175.22 177.19 1b4p s ALA 209 N -2.09 2.21 0.60 5.36 0.00 -1.26 -3.75 121.76 122.84 1b4p s ALA 209 Ca 0.37 0.57 0.27 0.00 0.00 0.00 0.00 51.96 53.17 1b4p s ALA 209 Cb -0.08 -3.36 1.20 0.00 0.00 0.00 0.00 23.12 20.88 1b4p s ALA 209 CO 0.28 -1.72 1.61 1.57 0.00 0.00 0.00 175.76 177.50 1b4p h LYS 210 N -0.55 0.00 -0.00 0.00 2.10 -1.69 0.12 116.57 116.55 1b4p h LYS 210 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 1b4p h LYS 210 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 1b4p h LYS 210 CO 0.51 0.00 -0.04 -1.33 -2.00 0.00 0.00 179.45 176.58 1b4p n MET 211 N -3.41 0.23 -0.73 0.07 0.00 -1.26 -4.53 117.12 107.49 1b4p n MET 211 Ca 0.14 -0.02 -0.32 0.00 0.00 0.00 0.00 57.70 57.50 1b4p n MET 211 Cb 1.05 -1.50 0.15 0.00 0.00 0.00 0.00 33.22 32.91 1b4p n MET 211 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1b4p n ALA 212 N -1.36 -2.32 1.02 3.04 0.00 0.42 -4.94 120.51 116.36 1b4p n ALA 212 Ca 0.10 -0.71 0.11 0.00 0.00 0.00 0.00 53.44 52.94 1b4p n ALA 212 Cb 0.30 -1.89 0.01 0.00 0.00 0.00 0.00 19.45 17.87 1b4p n ALA 212 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1b4p n PHE 213 N -3.96 0.00 -3.71 0.00 3.01 0.88 -4.72 117.46 108.96 1b4p n PHE 213 Ca 0.07 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.40 1b4p n PHE 213 Cb 0.54 -0.06 -0.13 0.00 -0.01 0.00 0.00 39.48 39.82 1b4p n PHE 213 CO 0.00 0.00 0.00 -0.46 1.01 0.00 0.00 176.76 177.31 1b4p s TRP 214 N -2.87 -0.35 -0.64 1.38 -0.00 -1.21 -5.02 118.94 110.23 1b4p s TRP 214 Ca 0.12 0.83 -0.01 0.00 -0.00 0.00 0.00 56.10 57.04 1b4p s TRP 214 Cb 0.17 0.01 0.00 0.00 -0.00 0.00 0.00 33.47 33.65 1b4p s TRP 214 CO 0.76 -0.27 0.47 0.09 -0.00 0.00 0.00 176.95 178.00 1b4p n ASN 215 N 4.58 -3.77 -0.02 5.86 5.03 -1.26 -4.77 115.26 120.91 1b4p n ASN 215 Ca -0.19 -0.76 -0.02 0.00 0.87 0.00 0.00 54.58 54.47 1b4p n ASN 215 Cb 0.52 -1.25 -0.03 0.00 -1.02 0.00 0.00 39.78 38.00 1b4p n ASN 215 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 1b4p n PRO 216 N -2.13 2.06 0.00 3.52 -0.04 -1.25 -1.47 135.00 135.69 1b4p n PRO 216 Ca -0.25 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.22 1b4p n PRO 216 Cb 0.55 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.91 1b4p n PRO 216 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63