#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cxx n ALA 3 N nan 0.34 -2.70 0.00 0.00 -1.26 -5.04 120.51 nan 3cxx n ALA 3 Ca nan 0.26 -0.25 0.00 0.00 0.00 0.00 53.44 nan 3cxx n ALA 3 Cb nan -2.36 -0.07 0.00 0.00 0.00 0.00 19.45 nan 3cxx n ALA 3 CO nan 0.00 0.00 0.95 0.00 0.00 0.00 177.50 nan 3cxx s THR 4 N 4.55 3.88 0.76 0.00 -4.23 -1.26 -5.13 115.64 114.21 3cxx s THR 4 Ca 1.00 -1.46 -0.11 0.00 -1.18 0.00 0.00 61.69 59.94 3cxx s THR 4 Cb -0.95 -3.00 0.05 0.00 1.34 0.00 0.00 72.50 69.94 3cxx s THR 4 CO 0.59 -0.19 1.09 0.68 -0.54 0.00 0.00 174.62 176.25 3cxx s VAL 5 N -1.90 3.32 0.32 2.29 -7.23 -1.26 -5.00 120.40 110.94 3cxx s VAL 5 Ca 0.29 0.43 -0.29 0.00 -1.81 0.00 0.00 61.98 60.60 3cxx s VAL 5 Cb -0.09 -3.24 -0.12 0.00 0.56 0.00 0.00 36.38 33.49 3cxx s VAL 5 CO 0.20 -0.56 1.40 -0.11 -0.31 0.00 0.00 175.10 175.72 3cxx n LEU 6 N -3.27 3.84 -4.68 1.32 7.94 -1.26 -4.87 117.00 116.02 3cxx n LEU 6 Ca 0.07 1.19 -0.45 0.00 -1.11 0.00 0.00 56.01 55.71 3cxx n LEU 6 Cb 0.56 -1.52 -0.04 0.00 0.53 0.00 0.00 43.42 42.96 3cxx n LEU 6 CO 0.57 -0.26 1.17 -0.11 -1.11 0.00 0.00 177.39 177.65 3cxx n LEU 7 N 1.19 3.25 -4.88 -1.96 7.94 -1.26 -4.63 117.00 116.65 3cxx n LEU 7 Ca 0.06 1.10 -0.34 0.00 -1.11 0.00 0.00 56.01 55.71 3cxx n LEU 7 Cb 0.36 -1.45 -0.05 0.00 0.53 0.00 0.00 43.42 42.81 3cxx n LEU 7 CO 0.63 -0.27 0.02 -1.61 -1.11 0.00 0.00 177.39 175.05 3cxx s GLU 8 N 0.56 3.68 0.16 1.96 2.02 -1.26 -0.56 118.70 125.25 3cxx s GLU 8 Ca 0.75 0.06 0.11 0.00 0.02 0.00 0.00 54.97 55.92 3cxx s GLU 8 Cb -0.65 -3.02 -0.04 0.00 0.10 0.00 0.00 34.13 30.52 3cxx s GLU 8 CO 0.41 0.59 -0.25 0.14 0.02 0.00 0.00 175.26 176.17 3cxx s VAL 9 N -1.37 2.36 0.69 2.63 -7.23 -0.58 -4.30 120.40 112.60 3cxx s VAL 9 Ca 0.31 -1.85 -0.11 0.00 -1.81 0.00 0.00 61.98 58.52 3cxx s VAL 9 Cb -0.14 -2.09 0.01 0.00 0.56 0.00 0.00 36.38 34.73 3cxx s VAL 9 CO 0.18 0.00 1.07 -2.16 -0.31 0.00 0.00 175.10 173.88 3cxx s PRO 10 N -2.33 2.96 -0.00 4.82 0.04 -1.26 -3.94 135.00 135.29 3cxx s PRO 10 Ca 0.17 0.67 -0.22 0.00 0.04 0.00 0.00 61.00 61.67 3cxx s PRO 10 Cb -0.09 -2.02 -0.20 0.00 0.04 0.00 0.00 34.50 32.23 3cxx s PRO 10 CO 0.08 -1.01 1.15 0.74 0.04 0.00 0.00 177.00 178.00 3cxx h PHE 11 N -0.64 0.43 -2.64 0.56 0.05 -1.89 -3.47 116.94 109.33 3cxx h PHE 11 Ca -0.45 -0.20 -0.11 0.00 3.82 0.00 0.00 57.97 61.04 3cxx h PHE 11 Cb 1.23 -0.06 -0.23 0.00 2.00 0.00 0.00 35.95 38.88 3cxx h PHE 11 CO 0.57 0.95 -0.18 0.45 -0.18 0.00 0.00 178.31 179.92 3cxx s SER 12 N -6.40 -0.46 0.00 2.17 0.15 -1.26 -5.03 113.70 102.88 3cxx s SER 12 Ca -0.14 0.84 0.27 0.00 0.70 0.00 0.00 55.95 57.62 3cxx s SER 12 Cb 0.03 0.87 0.97 0.00 -1.71 0.00 0.00 66.02 66.18 3cxx s SER 12 CO 0.77 -0.20 1.72 0.00 1.20 0.00 0.00 173.24 176.74 3cxx n ALA 13 N 2.64 2.90 -1.93 5.45 0.00 -1.26 -4.87 120.51 123.43 3cxx n ALA 13 Ca -0.14 -0.25 -0.42 0.00 0.00 0.00 0.00 53.44 52.63 3cxx n ALA 13 Cb 0.57 -1.30 -0.03 0.00 0.00 0.00 0.00 19.45 18.69 3cxx n ALA 13 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3cxx s ARG 14 N -2.82 4.20 0.00 0.00 0.52 -1.26 -4.58 118.95 115.01 3cxx s ARG 14 Ca 0.18 2.33 0.18 0.00 -0.52 0.00 0.00 55.73 57.90 3cxx s ARG 14 Cb 0.19 -3.62 0.29 0.00 0.52 0.00 0.00 34.95 32.34 3cxx s ARG 14 CO 0.57 -0.74 1.23 0.41 0.02 0.00 0.00 175.30 176.79 3cxx n GLY 15 N 4.00 1.31 0.07 -3.53 0.00 -1.26 -4.40 105.19 101.38 3cxx n GLY 15 Ca 0.16 -0.58 0.11 0.00 0.00 0.00 0.00 46.02 45.71 3cxx n GLY 15 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3cxx n ASP 16 N 1.12 1.02 -3.64 1.61 3.85 -1.26 -4.51 116.55 114.73 3cxx n ASP 16 Ca 0.14 -0.89 -0.16 0.00 -0.71 0.00 0.00 54.79 53.18 3cxx n ASP 16 Cb 0.50 0.72 -0.07 0.00 -1.35 0.00 0.00 41.12 40.91 3cxx n ASP 16 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3cxx s ARG 17 N -2.91 0.85 0.03 0.11 1.70 -1.26 -5.01 118.95 112.46 3cxx s ARG 17 Ca 0.11 0.05 -0.22 0.00 -0.47 0.00 0.00 55.73 55.20 3cxx s ARG 17 Cb 0.17 0.39 -0.06 0.00 -0.57 0.00 0.00 34.95 34.88 3cxx s ARG 17 CO 0.78 -0.25 0.64 -1.50 -1.08 0.00 0.00 175.30 173.89 3cxx s ILE 18 N -1.21 4.81 0.38 4.99 2.07 -1.26 -4.92 121.20 126.06 3cxx s ILE 18 Ca -0.12 1.36 -0.27 0.00 -1.41 0.00 0.00 60.65 60.21 3cxx s ILE 18 Cb -0.03 -3.98 -0.10 0.00 0.13 0.00 0.00 42.46 38.48 3cxx s ILE 18 CO 0.07 0.43 1.34 -2.84 -1.91 0.00 0.00 174.94 172.03 3cxx s PRO 19 N -0.35 4.11 0.58 3.50 0.02 -1.26 -4.88 135.00 136.72 3cxx s PRO 19 Ca 0.33 2.26 0.27 0.00 0.02 0.00 0.00 61.00 63.88 3cxx s PRO 19 Cb -0.19 -2.89 1.69 0.00 0.02 0.00 0.00 34.50 33.13 3cxx s PRO 19 CO 0.19 -0.41 2.19 -0.44 -0.33 0.00 0.00 177.00 178.21 3cxx h ASP 20 N 2.95 0.00 0.05 2.53 3.45 -2.03 -1.78 116.42 121.59 3cxx h ASP 20 Ca -0.50 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 56.94 3cxx h ASP 20 Cb 1.24 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 40.00 3cxx h ASP 20 CO 0.64 0.00 -0.07 0.00 -1.57 0.00 0.00 179.24 178.24 3cxx h ALA 21 N 1.93 1.81 -0.23 3.45 0.00 -2.00 -2.99 119.26 121.23 3cxx h ALA 21 Ca 0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3cxx h ALA 21 Cb 0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3cxx h ALA 21 CO -0.00 0.15 0.11 0.28 0.00 0.00 0.00 179.25 179.79 3cxx h VAL 22 N 0.06 1.13 -0.58 0.00 2.07 -1.70 -1.36 116.25 115.87 3cxx h VAL 22 Ca 0.01 -0.36 -0.04 0.00 0.82 0.00 0.00 66.70 67.13 3cxx h VAL 22 Cb 0.17 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 3cxx h VAL 22 CO 0.01 0.13 0.18 0.00 0.02 0.00 0.00 177.57 177.91 3cxx h ALA 23 N 0.98 1.23 -0.52 1.67 0.00 -1.70 -0.22 119.26 120.72 3cxx h ALA 23 Ca 0.08 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 3cxx h ALA 23 Cb 0.10 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3cxx h ALA 23 CO -0.01 0.54 -0.13 0.93 0.00 0.00 0.00 179.25 180.58 3cxx h GLU 24 N 0.85 0.98 -0.29 0.00 3.07 -1.48 -1.55 114.58 116.15 3cxx h GLU 24 Ca 0.19 -0.37 -0.09 0.00 -0.50 0.00 0.00 59.36 58.60 3cxx h GLU 24 Cb 0.24 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.09 3cxx h GLU 24 CO -0.01 1.04 -0.15 1.25 -1.40 0.00 0.00 179.01 179.74 3cxx h LEU 25 N 0.87 0.64 -0.92 1.33 5.85 -0.88 -1.16 115.31 121.04 3cxx h LEU 25 Ca 0.13 -0.41 0.01 0.00 0.84 0.00 0.00 57.88 58.45 3cxx h LEU 25 Cb 0.69 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.50 3cxx h LEU 25 CO 0.05 0.91 0.61 -0.09 -0.34 0.00 0.00 178.44 179.58 3cxx h ARG 26 N 0.37 1.21 -0.14 1.25 2.43 -0.83 0.79 114.38 119.46 3cxx h ARG 26 Ca 0.06 -0.07 -0.09 0.00 -0.81 0.00 0.00 59.98 59.07 3cxx h ARG 26 Cb 0.68 -0.27 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 3cxx h ARG 26 CO 0.04 0.80 -0.26 1.15 -1.51 0.00 0.00 179.97 180.20 3cxx h THR 27 N 1.25 1.37 0.19 0.20 2.02 -1.21 -3.28 112.91 113.44 3cxx h THR 27 Ca 0.34 -1.51 -0.25 0.00 0.77 0.00 0.00 66.41 65.75 3cxx h THR 27 Cb -0.14 2.00 0.03 0.00 -1.74 0.00 0.00 68.15 68.30 3cxx h THR 27 CO -0.07 0.45 -1.11 0.03 0.37 0.00 0.00 175.52 175.19 3cxx h ARG 28 N 0.03 0.42 -0.89 6.66 -0.00 -1.00 -3.44 114.38 116.16 3cxx h ARG 28 Ca 0.01 -0.70 -0.32 0.00 -0.50 0.00 0.00 59.98 58.46 3cxx h ARG 28 Cb 0.84 0.26 -0.23 0.00 0.00 0.00 0.00 29.97 30.85 3cxx h ARG 28 CO 0.06 1.33 -0.69 0.39 0.00 0.00 0.00 179.97 181.07 3cxx n GLU 29 N -3.95 0.66 0.02 0.04 1.02 0.27 -5.00 120.64 113.71 3cxx n GLU 29 Ca -0.15 -2.28 0.08 0.00 -0.02 0.00 0.00 57.16 54.79 3cxx n GLU 29 Cb 0.95 -1.43 0.36 0.00 -0.02 0.00 0.00 31.44 31.30 3cxx n GLU 29 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 3cxx n PRO 30 N 1.94 0.03 -4.04 3.49 -0.04 -1.18 -3.81 135.00 131.40 3cxx n PRO 30 Ca 0.16 0.26 -0.27 0.00 -0.04 0.00 0.00 63.50 63.60 3cxx n PRO 30 Cb 0.58 -1.56 -0.17 0.00 -0.04 0.00 0.00 33.50 32.31 3cxx n PRO 30 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 3cxx s ILE 31 N -3.05 1.10 0.11 0.52 2.07 -1.26 -0.63 121.20 120.06 3cxx s ILE 31 Ca 0.07 -0.36 -0.11 0.00 -1.41 0.00 0.00 60.65 58.85 3cxx s ILE 31 Cb 0.10 -1.09 0.01 0.00 0.13 0.00 0.00 42.46 41.61 3cxx s ILE 31 CO 0.31 0.37 0.26 0.00 -1.91 0.00 0.00 174.94 173.97 3cxx s ARG 32 N 1.50 0.93 0.23 3.50 1.04 -0.72 -4.93 118.95 120.51 3cxx s ARG 32 Ca 0.02 -0.90 -0.29 0.00 -1.04 0.00 0.00 55.73 53.51 3cxx s ARG 32 Cb -0.13 0.38 -0.09 0.00 -2.04 0.00 0.00 34.95 33.07 3cxx s ARG 32 CO -0.06 -0.32 0.91 0.21 -0.04 0.00 0.00 175.30 176.00 3cxx s LYS 33 N -3.85 4.81 0.16 3.89 2.20 -1.26 0.20 119.74 125.89 3cxx s LYS 33 Ca 0.05 1.43 -0.04 0.00 -0.36 0.00 0.00 55.97 57.06 3cxx s LYS 33 Cb 0.04 -3.28 -0.03 0.00 -1.51 0.00 0.00 37.83 33.05 3cxx s LYS 33 CO -0.10 0.53 0.15 0.14 -0.36 0.00 0.00 175.35 175.71 3cxx s VAL 34 N -1.17 0.07 -0.12 4.02 -7.23 0.65 -4.53 120.40 112.09 3cxx s VAL 34 Ca 0.40 -1.75 0.00 0.00 -1.81 0.00 0.00 61.98 58.82 3cxx s VAL 34 Cb -0.26 -2.06 -0.02 0.00 0.56 0.00 0.00 36.38 34.60 3cxx s VAL 34 CO 0.31 -0.32 -0.12 -0.60 -0.31 0.00 0.00 175.10 174.06 3cxx s ARG 35 N -4.04 3.27 0.75 4.82 3.52 0.27 -0.87 118.95 126.66 3cxx s ARG 35 Ca 0.24 -0.66 -0.07 0.00 -0.13 0.00 0.00 55.73 55.11 3cxx s ARG 35 Cb 0.06 -2.62 0.10 0.00 -1.56 0.00 0.00 34.95 30.92 3cxx s ARG 35 CO 0.03 0.29 1.06 0.95 -0.81 0.00 0.00 175.30 176.82 3cxx s THR 36 N 0.15 2.21 0.45 4.11 -4.23 0.21 -1.53 115.64 117.02 3cxx s THR 36 Ca -0.06 -0.30 0.35 0.00 -1.18 0.00 0.00 61.69 60.49 3cxx s THR 36 Cb -0.15 -2.91 0.37 0.00 1.34 0.00 0.00 72.50 71.15 3cxx s THR 36 CO 0.05 0.00 2.18 0.16 -0.54 0.00 0.00 174.62 176.46 3cxx h ILE 37 N -0.74 0.25 0.00 2.99 3.07 -1.70 -1.93 117.51 119.45 3cxx h ILE 37 Ca -0.43 -0.30 0.00 0.00 1.55 0.00 0.00 64.86 65.69 3cxx h ILE 37 Cb 1.29 1.23 0.00 0.00 -0.27 0.00 0.00 36.82 39.07 3cxx h ILE 37 CO 0.52 0.04 0.00 0.35 -1.05 0.00 0.00 178.15 178.01 3cxx n THR 38 N -3.36 0.48 -0.05 0.16 -2.24 -1.26 -4.71 114.28 103.31 3cxx n THR 38 Ca -0.02 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 3cxx n THR 38 Cb 0.18 -0.65 0.00 0.00 -2.10 0.00 0.00 70.33 67.76 3cxx n THR 38 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3cxx n GLY 39 N 1.14 0.56 3.75 3.38 0.00 -0.73 -3.55 105.19 109.74 3cxx n GLY 39 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 3cxx n GLY 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cxx s ALA 40 N -2.23 2.75 0.30 4.61 0.00 -1.26 -4.31 121.76 121.62 3cxx s ALA 40 Ca 0.00 1.15 -0.15 0.00 0.00 0.00 0.00 51.96 52.96 3cxx s ALA 40 Cb 0.00 -3.50 -0.09 0.00 0.00 0.00 0.00 23.12 19.54 3cxx s ALA 40 CO 0.00 -1.18 0.72 -1.21 0.00 0.00 0.00 175.76 174.09 3cxx s GLU 41 N -3.01 4.01 0.15 0.00 2.02 -1.26 -0.62 118.70 120.00 3cxx s GLU 41 Ca 0.72 0.66 -0.16 0.00 0.02 0.00 0.00 54.97 56.22 3cxx s GLU 41 Cb -0.35 -2.50 0.03 0.00 0.10 0.00 0.00 34.13 31.41 3cxx s GLU 41 CO 0.40 0.20 0.42 0.00 0.02 0.00 0.00 175.26 176.30 3cxx s ALA 42 N -1.92 -0.81 -0.25 5.21 0.00 -0.05 -4.51 121.76 119.43 3cxx s ALA 42 Ca 0.52 -0.21 -0.13 0.00 0.00 0.00 0.00 51.96 52.14 3cxx s ALA 42 Cb -0.11 0.76 -0.04 0.00 0.00 0.00 0.00 23.12 23.73 3cxx s ALA 42 CO 0.18 -0.69 0.30 -1.58 0.00 0.00 0.00 175.76 173.96 3cxx s TRP 43 N -3.85 3.29 -0.25 0.00 0.52 -0.21 -0.26 118.94 118.18 3cxx s TRP 43 Ca 0.07 0.36 -0.14 0.00 0.02 0.00 0.00 56.10 56.41 3cxx s TRP 43 Cb 0.01 -2.45 -0.04 0.00 -1.15 0.00 0.00 33.47 29.83 3cxx s TRP 43 CO -0.08 -0.09 0.31 -1.17 0.02 0.00 0.00 176.95 175.93 3cxx s LEU 44 N 1.60 4.08 -0.21 2.99 1.98 0.13 -0.73 118.68 128.51 3cxx s LEU 44 Ca 0.13 0.26 -0.06 0.00 -2.89 0.00 0.00 54.13 51.56 3cxx s LEU 44 Cb -0.15 -2.33 -0.03 0.00 0.66 0.00 0.00 46.19 44.34 3cxx s LEU 44 CO 0.08 -0.09 0.03 -0.69 -1.89 0.00 0.00 176.35 173.80 3cxx s VAL 45 N 1.65 4.21 0.00 1.68 1.01 0.69 -1.75 120.40 127.88 3cxx s VAL 45 Ca 0.13 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.89 3cxx s VAL 45 Cb -0.15 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.31 3cxx s VAL 45 CO 0.09 0.41 0.54 -1.54 0.00 0.00 0.00 175.10 174.59 3cxx n SER 46 N 4.29 0.76 -4.81 3.32 3.41 0.20 -1.22 113.62 119.57 3cxx n SER 46 Ca -0.17 -1.28 -0.30 0.00 -0.26 0.00 0.00 58.87 56.86 3cxx n SER 46 Cb 0.52 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.41 3cxx n SER 46 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3cxx s SER 47 N -0.28 5.71 0.21 4.04 1.04 -1.26 -3.60 113.70 119.56 3cxx s SER 47 Ca 0.00 0.03 -0.10 0.00 0.48 0.00 0.00 55.95 56.36 3cxx s SER 47 Cb 0.00 -1.58 0.28 0.00 0.10 0.00 0.00 66.02 64.82 3cxx s SER 47 CO 0.00 0.15 1.71 0.22 0.98 0.00 0.00 173.24 176.30 3cxx h TYR 48 N 3.07 0.19 -0.32 5.02 5.03 -1.76 0.15 116.97 128.36 3cxx h TYR 48 Ca -0.47 0.04 -0.03 0.00 2.58 0.00 0.00 58.73 60.85 3cxx h TYR 48 Cb 1.17 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.44 3cxx h TYR 48 CO 0.60 -0.03 0.07 0.00 -1.32 0.00 0.00 178.16 177.48 3cxx h ALA 49 N 1.47 0.42 0.02 1.82 0.00 -1.95 -0.81 119.26 120.24 3cxx h ALA 49 Ca 0.31 -0.18 -0.25 0.00 0.00 0.00 0.00 54.91 54.79 3cxx h ALA 49 Cb 0.45 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.13 3cxx h ALA 49 CO -0.40 0.09 -1.04 -0.07 0.00 0.00 0.00 179.25 177.84 3cxx h LEU 50 N 0.36 0.71 -0.55 0.00 3.38 -1.92 -1.65 115.31 115.65 3cxx h LEU 50 Ca 0.10 -0.59 0.04 0.00 0.09 0.00 0.00 57.88 57.51 3cxx h LEU 50 Cb 0.30 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 3cxx h LEU 50 CO 0.00 1.40 0.32 0.00 0.09 0.00 0.00 178.44 180.24 3cxx h THR 52 N 0.62 1.26 -0.72 0.00 2.02 -1.05 -1.47 112.91 113.56 3cxx h THR 52 Ca 0.23 -1.07 0.11 0.00 0.77 0.00 0.00 66.41 66.44 3cxx h THR 52 Cb 0.08 0.99 -0.08 0.00 -1.74 0.00 0.00 68.15 67.40 3cxx h THR 52 CO -0.13 0.38 0.34 -0.61 0.37 0.00 0.00 175.52 175.87 3cxx h GLN 53 N 0.72 0.54 -0.07 6.66 4.15 -1.06 -0.85 115.11 125.20 3cxx h GLN 53 Ca 0.14 -0.03 -0.13 0.00 0.77 0.00 0.00 58.65 59.40 3cxx h GLN 53 Cb 0.51 -0.12 0.01 0.00 0.21 0.00 0.00 27.48 28.09 3cxx h GLN 53 CO 0.03 0.36 -0.45 0.28 -1.93 0.00 0.00 178.83 177.11 3cxx h VAL 54 N 0.55 1.40 0.00 2.39 2.07 -1.09 -2.55 116.25 119.02 3cxx h VAL 54 Ca 0.37 -1.84 -0.06 0.00 0.82 0.00 0.00 66.70 65.98 3cxx h VAL 54 Cb 0.44 2.33 -0.01 0.00 -1.52 0.00 0.00 31.29 32.53 3cxx h VAL 54 CO -0.31 0.54 -0.30 -0.07 0.02 0.00 0.00 177.57 177.46 3cxx h LEU 55 N -0.03 0.00 -0.89 2.57 3.38 -1.10 -2.76 115.31 116.47 3cxx h LEU 55 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3cxx h LEU 55 Cb 1.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.86 3cxx h LEU 55 CO 0.09 0.30 -0.06 -0.62 0.09 0.00 0.00 178.44 178.24 3cxx n GLU 56 N -3.90 1.49 -3.81 1.13 1.02 -0.34 -4.28 120.64 111.95 3cxx n GLU 56 Ca -0.02 -0.89 -0.36 0.00 -0.02 0.00 0.00 57.16 55.87 3cxx n GLU 56 Cb 0.37 -1.48 -0.12 0.00 -0.02 0.00 0.00 31.44 30.19 3cxx n GLU 56 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3cxx s ASP 57 N -2.12 5.16 0.35 1.62 -1.08 -0.98 -4.96 116.67 114.67 3cxx s ASP 57 Ca 0.34 -1.63 0.26 0.00 -0.52 0.00 0.00 52.55 51.00 3cxx s ASP 57 Cb 0.21 -1.80 1.25 0.00 -1.46 0.00 0.00 42.92 41.11 3cxx s ASP 57 CO 0.38 -0.42 1.78 0.03 0.52 0.00 0.00 175.17 177.46 3cxx h ARG 58 N 8.07 0.00 0.00 4.34 3.08 -1.84 -0.98 114.38 127.05 3cxx h ARG 58 Ca -0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.88 3cxx h ARG 58 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.11 3cxx h ARG 58 CO 0.63 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 180.07 3cxx n ARG 59 N -2.41 0.14 -3.18 0.04 1.74 -1.26 -3.17 116.66 108.56 3cxx n ARG 59 Ca -0.00 0.57 -0.45 0.00 -0.77 0.00 0.00 57.85 57.20 3cxx n ARG 59 Cb 0.13 -1.89 -0.03 0.00 -1.02 0.00 0.00 32.46 29.64 3cxx n ARG 59 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3cxx s PHE 60 N -3.44 3.31 -0.06 -1.55 0.08 -0.37 -0.25 117.98 115.70 3cxx s PHE 60 Ca -0.01 -1.43 -0.20 0.00 0.12 0.00 0.00 56.93 55.41 3cxx s PHE 60 Cb 0.06 -3.97 -0.05 0.00 -0.57 0.00 0.00 43.02 38.50 3cxx s PHE 60 CO 0.22 -1.19 0.58 0.45 -0.10 0.00 0.00 175.22 175.18 3cxx s SER 61 N 3.13 6.88 -0.02 1.36 0.15 0.06 -4.71 113.70 120.55 3cxx s SER 61 Ca 0.16 1.05 -0.25 0.00 0.70 0.00 0.00 55.95 57.61 3cxx s SER 61 Cb -0.17 -2.35 -0.20 0.00 -1.71 0.00 0.00 66.02 61.60 3cxx s SER 61 CO -0.02 0.02 1.25 -0.03 1.20 0.00 0.00 173.24 175.66 3cxx h MET 62 N 6.25 -0.05 -0.82 5.44 4.05 -1.86 -0.89 114.93 127.05 3cxx h MET 62 Ca -0.43 0.00 0.13 0.00 -0.28 0.00 0.00 59.70 59.12 3cxx h MET 62 Cb 1.19 0.01 -0.09 0.00 -0.80 0.00 0.00 31.60 31.92 3cxx h MET 62 CO 0.73 0.41 0.43 -0.22 0.23 0.00 0.00 176.91 178.48 3cxx h LYS 63 N -0.52 0.63 0.00 0.39 3.64 -1.94 -1.77 116.57 117.00 3cxx h LYS 63 Ca -0.01 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3cxx h LYS 63 Cb 0.48 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 3cxx h LYS 63 CO 0.01 0.42 0.00 0.39 -2.27 0.00 0.00 179.45 178.00 3cxx n GLU 64 N -4.84 0.21 0.20 1.90 -0.58 -1.25 -1.93 120.64 114.34 3cxx n GLU 64 Ca 0.15 0.31 0.15 0.00 -0.42 0.00 0.00 57.16 57.36 3cxx n GLU 64 Cb 0.37 -1.81 0.78 0.00 -0.57 0.00 0.00 31.44 30.21 3cxx n GLU 64 CO 0.00 0.00 0.00 1.79 -0.48 0.00 0.00 177.13 178.44 3cxx h THR 65 N 0.00 0.63 -0.00 2.62 1.35 -1.40 -2.18 112.91 113.93 3cxx h THR 65 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3cxx h THR 65 Cb 0.52 0.88 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 3cxx h THR 65 CO 0.00 0.00 -0.04 0.00 -0.25 0.00 0.00 175.52 175.23 3cxx n ALA 66 N -2.42 2.67 -1.78 6.62 0.00 -0.81 -4.87 120.51 119.92 3cxx n ALA 66 Ca 0.01 -0.26 -0.41 0.00 0.00 0.00 0.00 53.44 52.78 3cxx n ALA 66 Cb 0.28 -1.39 -0.01 0.00 0.00 0.00 0.00 19.45 18.33 3cxx n ALA 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3cxx s ALA 67 N -2.22 3.70 0.29 0.00 0.00 -0.82 -4.92 121.76 117.78 3cxx s ALA 67 Ca 0.38 1.54 -0.30 0.00 0.00 0.00 0.00 51.96 53.58 3cxx s ALA 67 Cb 0.21 -3.63 -0.11 0.00 0.00 0.00 0.00 23.12 19.59 3cxx s ALA 67 CO 0.41 -0.97 1.49 0.00 0.00 0.00 0.00 175.76 176.69 3cxx s ALA 68 N -0.24 3.65 0.00 0.00 0.00 -1.26 -1.78 121.76 122.13 3cxx s ALA 68 Ca 0.61 1.44 0.00 0.00 0.00 0.00 0.00 51.96 54.00 3cxx s ALA 68 Cb -0.47 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.06 3cxx s ALA 68 CO 0.51 -0.86 0.00 0.41 0.00 0.00 0.00 175.76 175.82 3cxx n GLY 69 N 1.80 1.62 3.74 0.00 0.00 -1.26 -5.03 105.19 106.07 3cxx n GLY 69 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 3cxx n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cxx s ALA 70 N -3.37 2.31 0.19 4.61 0.00 -0.73 -4.98 121.76 119.79 3cxx s ALA 70 Ca 0.00 0.77 -0.30 0.00 0.00 0.00 0.00 51.96 52.42 3cxx s ALA 70 Cb 0.00 -3.41 -0.09 0.00 0.00 0.00 0.00 23.12 19.62 3cxx s ALA 70 CO 0.00 -1.53 1.38 -1.25 0.00 0.00 0.00 175.76 174.35 3cxx s PRO 71 N -3.89 4.33 -0.05 0.00 0.04 -1.26 -4.85 135.00 129.32 3cxx s PRO 71 Ca 0.72 2.14 0.04 0.00 0.04 0.00 0.00 61.00 63.94 3cxx s PRO 71 Cb -0.26 -3.18 -0.02 0.00 0.04 0.00 0.00 34.50 31.07 3cxx s PRO 71 CO 0.42 -0.36 -0.15 1.03 0.04 0.00 0.00 177.00 177.97 3cxx s ARG 72 N 0.19 2.50 0.06 4.56 0.52 -1.26 -4.77 118.95 120.75 3cxx s ARG 72 Ca 0.60 -0.72 -0.24 0.00 -0.52 0.00 0.00 55.73 54.85 3cxx s ARG 72 Cb -0.38 -2.35 -0.16 0.00 0.52 0.00 0.00 34.95 32.57 3cxx s ARG 72 CO 0.37 0.60 1.61 1.25 0.02 0.00 0.00 175.30 179.15 3cxx h LEU 73 N 5.42 -0.07 -8.18 2.53 5.85 -1.95 -3.40 115.31 115.51 3cxx h LEU 73 Ca -0.45 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.12 3cxx h LEU 73 Cb 1.15 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 42.14 3cxx h LEU 73 CO 0.50 0.06 0.03 0.54 -0.34 0.00 0.00 178.44 179.23 3cxx s ASN 74 N -5.23 0.02 0.39 1.25 6.03 -1.26 -4.04 114.94 112.11 3cxx s ASN 74 Ca -0.14 -0.96 -0.25 0.00 -1.03 0.00 0.00 52.86 50.48 3cxx s ASN 74 Cb 0.05 0.68 -0.09 0.00 -3.03 0.00 0.00 41.25 38.86 3cxx s ASN 74 CO 0.65 -1.31 1.12 0.00 -2.03 0.00 0.00 177.10 175.53 3cxx s ALA 75 N -3.56 3.15 0.28 3.54 0.00 0.68 -4.96 121.76 120.89 3cxx s ALA 75 Ca 0.19 0.86 -0.30 0.00 0.00 0.00 0.00 51.96 52.71 3cxx s ALA 75 Cb -0.03 -3.33 -0.12 0.00 0.00 0.00 0.00 23.12 19.64 3cxx s ALA 75 CO 0.10 -0.37 1.54 1.28 0.00 0.00 0.00 175.76 178.32 3cxx n LEU 76 N 0.13 4.03 -0.60 0.00 4.77 -1.26 -4.76 117.00 119.32 3cxx n LEU 76 Ca 0.04 1.15 0.06 0.00 -0.03 0.00 0.00 56.01 57.23 3cxx n LEU 76 Cb 0.47 -1.55 0.12 0.00 -2.33 0.00 0.00 43.42 40.13 3cxx n LEU 76 CO 0.49 -0.02 0.55 0.35 -1.33 0.00 0.00 177.39 177.43 3cxx n THR 77 N 2.04 0.58 -4.30 -5.08 -2.24 -1.26 -4.68 114.28 99.35 3cxx n THR 77 Ca 0.09 -0.79 -0.16 0.00 -2.27 0.00 0.00 64.05 60.92 3cxx n THR 77 Cb 0.35 0.81 -0.10 0.00 -2.10 0.00 0.00 70.33 69.29 3cxx n THR 77 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 3cxx s VAL 78 N -1.00 0.76 0.36 2.28 -7.23 -1.26 -4.71 120.40 109.59 3cxx s VAL 78 Ca 0.20 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 58.10 3cxx s VAL 78 Cb 0.12 -2.38 -0.12 0.00 0.56 0.00 0.00 36.38 34.56 3cxx s VAL 78 CO 0.16 -0.26 1.14 -2.65 -0.31 0.00 0.00 175.10 173.18 3cxx n PRO 79 N -0.38 1.70 -0.19 4.82 -0.02 -1.26 -4.86 135.00 134.80 3cxx n PRO 79 Ca -0.04 0.60 0.15 0.00 -2.02 0.00 0.00 63.50 62.19 3cxx n PRO 79 Cb 0.64 -2.13 0.48 0.00 -0.02 0.00 0.00 33.50 32.48 3cxx n PRO 79 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3cxx h PRO 80 N 2.09 0.45 0.00 0.52 0.13 -1.99 -0.48 132.00 132.72 3cxx h PRO 80 Ca -0.44 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.64 3cxx h PRO 80 Cb 1.31 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 3cxx h PRO 80 CO 0.60 0.30 -0.10 1.05 -0.23 0.00 0.00 178.00 179.62 3cxx h GLU 81 N 0.46 0.00 0.00 0.86 9.09 -1.94 -2.84 114.58 120.21 3cxx h GLU 81 Ca 0.39 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.76 3cxx h GLU 81 Cb 0.85 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.95 3cxx h GLU 81 CO -0.14 0.10 -0.18 0.28 0.05 0.00 0.00 179.01 179.13 3cxx h VAL 82 N 0.00 0.47 -0.58 -1.06 2.07 -1.42 -2.62 116.25 113.11 3cxx h VAL 82 Ca -0.00 -0.94 0.11 0.00 0.82 0.00 0.00 66.70 66.69 3cxx h VAL 82 Cb 0.27 1.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 3cxx h VAL 82 CO 0.01 0.17 0.39 0.58 0.02 0.00 0.00 177.57 178.75 3cxx h VAL 83 N 0.00 0.86 -0.60 2.57 2.07 -1.56 -0.94 116.25 118.65 3cxx h VAL 83 Ca -0.00 -0.11 -0.35 0.00 0.82 0.00 0.00 66.70 67.06 3cxx h VAL 83 Cb 0.65 0.51 -0.18 0.00 -1.52 0.00 0.00 31.29 30.75 3cxx h VAL 83 CO 0.02 0.06 0.45 -3.20 0.02 0.00 0.00 177.57 174.92 3cxx n ASN 84 N -4.46 4.83 -0.05 0.57 5.15 -0.99 -4.71 115.26 115.60 3cxx n ASN 84 Ca 0.10 -3.08 -0.08 0.00 -0.60 0.00 0.00 54.58 50.92 3cxx n ASN 84 Cb 0.42 -0.84 -0.02 0.00 -0.53 0.00 0.00 39.78 38.81 3cxx n ASN 84 CO 0.00 0.00 0.00 -1.13 1.40 0.00 0.00 177.26 177.53 3cxx h ASN 85 N 1.02 -0.05 -0.57 1.20 -1.24 -1.31 0.44 115.58 115.05 3cxx h ASN 85 Ca 0.38 0.05 -0.03 0.00 0.71 0.00 0.00 56.30 57.40 3cxx h ASN 85 Cb 1.61 0.07 -0.03 0.00 0.73 0.00 0.00 38.32 40.71 3cxx h ASN 85 CO 0.79 0.00 0.23 -0.03 -1.29 0.00 0.00 177.43 177.14 3cxx h MET 86 N 0.09 0.85 -0.80 6.67 4.05 -1.86 0.16 114.93 124.10 3cxx h MET 86 Ca 0.11 -0.15 0.10 0.00 -0.28 0.00 0.00 59.70 59.47 3cxx h MET 86 Cb 0.13 -0.14 -0.07 0.00 -0.80 0.00 0.00 31.60 30.71 3cxx h MET 86 CO -0.17 0.73 0.44 0.78 0.23 0.00 0.00 176.91 178.93 3cxx h GLY 87 N 0.79 1.24 0.94 1.39 0.00 -1.84 0.16 103.07 105.74 3cxx h GLY 87 Ca 0.19 -0.29 -0.07 0.00 0.00 0.00 0.00 47.33 47.16 3cxx h GLY 87 CO -0.02 0.10 -0.05 3.43 0.00 0.00 0.00 176.54 180.00 3cxx h ASN 88 N 0.73 0.68 -0.02 0.19 2.35 0.24 0.16 115.58 119.91 3cxx h ASN 88 Ca 0.39 -0.34 0.03 0.00 -0.55 0.00 0.00 56.30 55.83 3cxx h ASN 88 Cb 0.40 -0.18 -0.05 0.00 0.05 0.00 0.00 38.32 38.53 3cxx h ASN 88 CO -0.26 0.86 -0.28 0.40 -1.65 0.00 0.00 177.43 176.50 3cxx h ILE 89 N 0.48 0.37 -0.44 2.81 2.04 -0.39 -1.50 117.51 120.87 3cxx h ILE 89 Ca 0.10 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.00 3cxx h ILE 89 Cb 0.55 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 36.96 3cxx h ILE 89 CO 0.03 0.00 0.20 0.00 0.00 0.00 0.00 178.15 178.38 3cxx h ALA 90 N 0.40 0.55 0.00 1.87 0.00 -0.50 -1.56 119.26 120.02 3cxx h ALA 90 Ca 0.07 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3cxx h ALA 90 Cb 0.51 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3cxx h ALA 90 CO -0.26 -0.16 -0.11 -0.44 0.00 0.00 0.00 179.25 178.28 3cxx h ASP 91 N 0.41 0.00 -0.05 0.00 3.45 -0.80 -0.63 116.42 118.79 3cxx h ASP 91 Ca 0.20 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.66 3cxx h ASP 91 Cb 0.13 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.90 3cxx h ASP 91 CO -0.16 0.11 0.00 0.00 -1.57 0.00 0.00 179.24 177.63 3cxx n ALA 92 N -2.47 2.59 -1.14 3.45 0.00 -0.58 -4.90 120.51 117.46 3cxx n ALA 92 Ca -0.03 -0.31 -0.05 0.00 0.00 0.00 0.00 53.44 53.06 3cxx n ALA 92 Cb 0.19 -1.26 -0.02 0.00 0.00 0.00 0.00 19.45 18.36 3cxx n ALA 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cxx n GLY 93 N 0.99 0.75 0.96 0.00 0.00 -0.24 -4.92 105.19 102.73 3cxx n GLY 93 Ca 0.17 -0.60 0.12 0.00 0.00 0.00 0.00 46.02 45.71 3cxx n GLY 93 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3cxx n LEU 94 N -0.55 3.02 -0.07 0.99 4.77 -0.64 -4.60 117.00 119.91 3cxx n LEU 94 Ca -0.05 -1.08 -0.09 0.00 -0.03 0.00 0.00 56.01 54.77 3cxx n LEU 94 Cb 0.19 -0.04 -0.02 0.00 -2.33 0.00 0.00 43.42 41.23 3cxx n LEU 94 CO 0.07 0.53 0.97 -0.09 -1.33 0.00 0.00 177.39 177.54 3cxx h ARG 95 N 4.54 0.32 -0.40 3.23 9.65 -1.83 -1.33 114.38 128.56 3cxx h ARG 95 Ca 0.00 -0.02 -0.13 0.00 -1.10 0.00 0.00 59.98 58.73 3cxx h ARG 95 Cb 0.97 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.47 3cxx h ARG 95 CO 0.00 0.21 -0.26 0.87 2.80 0.00 0.00 179.97 183.59 3cxx h LYS 96 N 0.33 0.88 -0.31 0.20 1.57 -1.95 -2.23 116.57 115.05 3cxx h LYS 96 Ca 0.11 -0.42 -0.04 0.00 -1.87 0.00 0.00 60.65 58.43 3cxx h LYS 96 Cb -0.01 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 3cxx h LYS 96 CO -0.05 1.06 0.04 0.00 -0.57 0.00 0.00 179.45 179.93 3cxx h ALA 97 N 0.80 0.42 -0.21 3.86 0.00 -1.84 -0.53 119.26 121.76 3cxx h ALA 97 Ca 0.08 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3cxx h ALA 97 Cb 0.84 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3cxx h ALA 97 CO 0.07 0.13 0.13 0.28 0.00 0.00 0.00 179.25 179.86 3cxx h VAL 98 N 0.34 1.07 -0.63 0.00 2.07 -1.18 -1.20 116.25 116.73 3cxx h VAL 98 Ca 0.09 -0.15 -0.07 0.00 0.82 0.00 0.00 66.70 67.40 3cxx h VAL 98 Cb 0.38 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 3cxx h VAL 98 CO 0.01 0.06 0.12 0.24 0.02 0.00 0.00 177.57 178.02 3cxx h MET 99 N 0.26 1.01 -0.47 1.57 2.07 -1.27 -2.36 114.93 115.74 3cxx h MET 99 Ca 0.07 -0.24 -0.03 0.00 -2.07 0.00 0.00 59.70 57.43 3cxx h MET 99 Cb -0.01 -0.13 -0.02 0.00 -1.87 0.00 0.00 31.60 29.57 3cxx h MET 99 CO -0.02 0.91 0.17 -0.22 1.07 0.00 0.00 176.91 178.83 3cxx h LYS 100 N 0.95 0.71 0.00 1.72 3.64 -0.92 -2.89 116.57 119.79 3cxx h LYS 100 Ca 0.20 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3cxx h LYS 100 Cb 0.39 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 3cxx h LYS 100 CO 0.01 0.66 0.00 0.00 -2.27 0.00 0.00 179.45 177.85 3cxx h ALA 101 N 1.02 1.00 -0.33 5.00 0.00 -0.69 -3.06 119.26 122.20 3cxx h ALA 101 Ca 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 3cxx h ALA 101 Cb 0.23 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.95 3cxx h ALA 101 CO -0.01 0.00 -0.02 0.44 0.00 0.00 0.00 179.25 179.66 3cxx n ILE 102 N -2.67 2.46 -2.95 0.00 -5.35 -1.08 -4.56 119.36 105.21 3cxx n ILE 102 Ca -0.01 -2.39 -0.34 0.00 -0.27 0.00 0.00 62.75 59.75 3cxx n ILE 102 Cb 0.15 -0.30 -0.07 0.00 -1.74 0.00 0.00 39.64 37.69 3cxx n ILE 102 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3cxx s THR 103 N -3.09 4.47 -2.00 7.28 -4.23 -1.16 -4.37 115.64 112.54 3cxx s THR 103 Ca 0.44 1.35 0.21 0.00 -1.18 0.00 0.00 61.69 62.50 3cxx s THR 103 Cb 0.38 -3.70 0.59 0.00 1.34 0.00 0.00 72.50 71.11 3cxx s THR 103 CO 0.04 -0.14 1.69 -0.81 -0.54 0.00 0.00 174.62 174.85 3cxx n PRO 104 N -0.20 0.82 0.00 3.99 -0.04 -1.26 -3.76 135.00 134.55 3cxx n PRO 104 Ca 0.04 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.63 3cxx n PRO 104 Cb 0.53 -1.39 0.44 0.00 -0.04 0.00 0.00 33.50 33.04 3cxx n PRO 104 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3cxx n LYS 105 N -0.89 0.35 -1.65 0.54 4.01 -1.26 -4.37 118.16 114.88 3cxx n LYS 105 Ca 0.15 -0.16 -0.45 0.00 -0.51 0.00 0.00 58.31 57.35 3cxx n LYS 105 Cb 0.07 -1.50 -0.02 0.00 -0.51 0.00 0.00 35.03 33.07 3cxx n LYS 105 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3cxx n ALA 106 N -1.19 0.70 -1.64 7.82 0.00 -1.25 -4.87 120.51 120.07 3cxx n ALA 106 Ca 0.09 0.41 -0.48 0.00 0.00 0.00 0.00 53.44 53.47 3cxx n ALA 106 Cb 0.32 -2.20 -0.04 0.00 0.00 0.00 0.00 19.45 17.52 3cxx n ALA 106 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3cxx n PRO 107 N 1.60 1.81 0.00 0.00 -0.02 -1.26 -2.18 135.00 134.95 3cxx n PRO 107 Ca 0.11 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 3cxx n PRO 107 Cb 0.31 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 3cxx n PRO 107 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cxx n GLY 108 N 2.95 2.45 0.12 -1.23 0.00 -1.26 -4.93 105.19 103.29 3cxx n GLY 108 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 3cxx n GLY 108 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3cxx h LEU 109 N 0.00 -0.15 -1.52 0.99 5.85 -1.74 0.46 115.31 119.20 3cxx h LEU 109 Ca 0.00 -0.30 0.07 0.00 0.84 0.00 0.00 57.88 58.49 3cxx h LEU 109 Cb 0.00 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 3cxx h LEU 109 CO 0.00 0.24 0.42 -0.33 -0.34 0.00 0.00 178.44 178.43 3cxx h GLU 110 N -0.57 0.56 -0.03 1.25 5.08 -1.78 0.13 114.58 119.22 3cxx h GLU 110 Ca -0.02 -0.03 -0.22 0.00 -1.00 0.00 0.00 59.36 58.09 3cxx h GLU 110 Cb 0.44 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3cxx h GLU 110 CO 0.03 0.37 -0.90 0.37 -1.00 0.00 0.00 179.01 177.88 3cxx h GLN 111 N 0.57 0.45 -0.79 2.33 5.75 -1.89 -1.27 115.11 120.27 3cxx h GLN 111 Ca 0.28 -0.46 -0.01 0.00 -0.15 0.00 0.00 58.65 58.32 3cxx h GLN 111 Cb 0.35 0.12 -0.04 0.00 1.07 0.00 0.00 27.48 28.99 3cxx h GLN 111 CO -0.09 1.10 0.46 0.35 -2.65 0.00 0.00 178.83 178.01 3cxx h PHE 112 N 0.27 1.04 -0.18 3.99 3.04 0.17 -0.16 116.94 125.11 3cxx h PHE 112 Ca -0.07 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.87 3cxx h PHE 112 Cb 1.52 -0.34 -0.01 0.00 2.56 0.00 0.00 35.95 39.68 3cxx h PHE 112 CO 0.06 0.71 0.12 -0.07 -2.02 0.00 0.00 178.31 177.11 3cxx h LEU 113 N 1.08 0.21 -0.26 0.59 3.38 -0.56 -1.10 115.31 118.65 3cxx h LEU 113 Ca 0.28 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.19 3cxx h LEU 113 Cb -0.02 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3cxx h LEU 113 CO -0.05 0.17 0.01 -0.09 0.09 0.00 0.00 178.44 178.57 3cxx h ARG 114 N 0.24 0.44 -0.98 1.13 2.43 -1.05 -0.27 114.38 116.33 3cxx h ARG 114 Ca 0.07 -0.13 0.01 0.00 -0.81 0.00 0.00 59.98 59.11 3cxx h ARG 114 Cb -0.01 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.45 3cxx h ARG 114 CO -0.01 0.60 0.64 -0.44 -1.51 0.00 0.00 179.97 179.24 3cxx h ASP 115 N 0.23 1.13 -0.04 -3.80 3.32 -1.00 -0.37 116.42 115.89 3cxx h ASP 115 Ca 0.07 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 3cxx h ASP 115 Cb 0.39 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.65 3cxx h ASP 115 CO 0.01 0.83 -0.03 0.74 -1.72 0.00 0.00 179.24 179.07 3cxx h THR 116 N 1.33 1.35 -0.00 0.35 2.02 -0.86 -0.75 112.91 116.34 3cxx h THR 116 Ca 0.36 -1.10 0.03 0.00 0.77 0.00 0.00 66.41 66.47 3cxx h THR 116 Cb -0.14 2.00 -0.05 0.00 -1.74 0.00 0.00 68.15 68.22 3cxx h THR 116 CO -0.08 0.30 -0.32 0.00 0.37 0.00 0.00 175.52 175.79 3cxx h ALA 117 N 0.58 -0.46 -0.68 6.16 0.00 -0.91 -0.89 119.26 123.06 3cxx h ALA 117 Ca 0.01 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.99 3cxx h ALA 117 Cb 0.49 0.56 -0.07 0.00 0.00 0.00 0.00 17.79 18.78 3cxx h ALA 117 CO 0.01 -0.83 0.33 -0.91 0.00 0.00 0.00 179.25 177.85 3cxx h ASN 118 N -0.47 0.42 -0.67 0.00 2.35 -1.09 -0.05 115.58 116.07 3cxx h ASN 118 Ca 0.06 0.06 -0.05 0.00 -0.55 0.00 0.00 56.30 55.82 3cxx h ASN 118 Cb 0.56 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.89 3cxx h ASN 118 CO -0.27 0.25 0.22 -1.28 -1.65 0.00 0.00 177.43 174.70 3cxx h SER 119 N 0.57 0.96 -0.34 5.81 0.87 -0.91 -0.35 113.55 120.17 3cxx h SER 119 Ca 0.33 -0.20 -0.00 0.00 -1.23 0.00 0.00 61.79 60.69 3cxx h SER 119 Cb 0.35 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 3cxx h SER 119 CO -0.26 0.90 0.20 -0.07 -0.53 0.00 0.00 176.83 177.07 3cxx h LEU 120 N 0.97 0.42 -0.41 2.23 3.38 -0.65 -2.32 115.31 118.92 3cxx h LEU 120 Ca 0.22 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 3cxx h LEU 120 Cb 0.28 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3cxx h LEU 120 CO -0.01 0.36 0.12 -0.07 0.09 0.00 0.00 178.44 178.94 3cxx h LEU 121 N 0.43 0.61 -0.58 1.67 3.38 -0.79 -2.49 115.31 117.54 3cxx h LEU 121 Ca 0.12 -0.21 0.05 0.00 0.09 0.00 0.00 57.88 57.93 3cxx h LEU 121 Cb 0.03 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 3cxx h LEU 121 CO -0.02 0.66 0.31 0.44 0.09 0.00 0.00 178.44 179.92 3cxx h ASP 122 N 0.53 0.47 -0.52 -0.43 3.32 -1.02 0.83 116.42 119.59 3cxx h ASP 122 Ca 0.13 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 3cxx h ASP 122 Cb 0.27 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 3cxx h ASP 122 CO -0.00 0.32 0.33 0.78 -1.72 0.00 0.00 179.24 178.94 3cxx h ASN 123 N 0.60 0.63 -0.39 6.45 2.35 -1.26 0.11 115.58 124.06 3cxx h ASN 123 Ca 0.25 -0.03 -0.12 0.00 -0.55 0.00 0.00 56.30 55.85 3cxx h ASN 123 Cb 0.13 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 3cxx h ASN 123 CO -0.15 0.47 -0.24 -0.07 -1.65 0.00 0.00 177.43 175.79 3cxx h LEU 124 N 0.73 0.89 -0.05 1.61 3.38 -0.68 -1.40 115.31 119.79 3cxx h LEU 124 Ca 0.19 -0.42 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 3cxx h LEU 124 Cb -0.05 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.46 3cxx h LEU 124 CO -0.04 1.12 0.03 0.40 0.09 0.00 0.00 178.44 180.04 3cxx h ILE 125 N 0.66 1.05 -0.52 1.22 2.04 -0.47 -0.52 117.51 120.97 3cxx h ILE 125 Ca 0.08 -0.13 0.03 0.00 1.00 0.00 0.00 64.86 65.84 3cxx h ILE 125 Cb 0.81 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.89 3cxx h ILE 125 CO 0.07 0.04 0.30 0.74 0.00 0.00 0.00 178.15 179.29 3cxx h THR 126 N 0.03 1.02 0.00 -0.27 2.02 -0.79 -2.01 112.91 112.91 3cxx h THR 126 Ca 0.02 -0.20 -0.05 0.00 0.77 0.00 0.00 66.41 66.94 3cxx h THR 126 Cb 0.04 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 3cxx h THR 126 CO -0.00 0.11 -0.26 -0.33 0.37 0.00 0.00 175.52 175.40 3cxx h GLU 127 N 0.59 0.00 0.00 6.66 3.07 -0.99 -3.49 114.58 120.41 3cxx h GLU 127 Ca 0.22 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.08 3cxx h GLU 127 Cb 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.97 3cxx h GLU 127 CO -0.11 0.26 0.00 0.41 -1.40 0.00 0.00 179.01 178.17 3cxx n GLY 128 N -0.39 -0.46 3.73 -3.84 0.00 -0.23 -5.00 105.19 99.00 3cxx n GLY 128 Ca -0.01 -1.45 -0.37 0.00 0.00 0.00 0.00 46.02 44.19 3cxx n GLY 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cxx s ALA 129 N -2.39 2.44 0.52 4.61 0.00 -1.26 -4.49 121.76 121.19 3cxx s ALA 129 Ca 0.00 1.25 -0.10 0.00 0.00 0.00 0.00 51.96 53.10 3cxx s ALA 129 Cb 0.00 -3.56 -0.05 0.00 0.00 0.00 0.00 23.12 19.51 3cxx s ALA 129 CO 0.00 -1.58 0.90 -1.25 0.00 0.00 0.00 175.76 173.83 3cxx s PRO 130 N -3.31 3.67 0.11 0.00 0.04 -1.26 -5.09 135.00 129.17 3cxx s PRO 130 Ca 0.81 0.57 0.08 0.00 0.04 0.00 0.00 61.00 62.50 3cxx s PRO 130 Cb -0.38 -2.24 -0.04 0.00 0.04 0.00 0.00 34.50 31.88 3cxx s PRO 130 CO 0.41 -0.31 -0.20 0.00 0.04 0.00 0.00 177.00 176.94 3cxx s ALA 131 N -2.80 1.82 -0.49 8.56 0.00 -0.56 -4.93 121.76 123.35 3cxx s ALA 131 Ca 0.53 -1.29 -0.16 0.00 0.00 0.00 0.00 51.96 51.03 3cxx s ALA 131 Cb -0.10 -0.22 0.08 0.00 0.00 0.00 0.00 23.12 22.87 3cxx s ALA 131 CO 0.43 0.32 0.45 0.34 0.00 0.00 0.00 175.76 177.31 3cxx s ASP 132 N -2.08 6.17 0.14 0.00 -1.08 -1.26 -0.10 116.67 118.46 3cxx s ASP 132 Ca 0.08 -1.35 0.20 0.00 -0.52 0.00 0.00 52.55 50.96 3cxx s ASP 132 Cb -0.09 -2.21 0.84 0.00 -1.46 0.00 0.00 42.92 40.00 3cxx s ASP 132 CO 0.05 -0.73 1.62 0.18 0.52 0.00 0.00 175.17 176.81 3cxx n LEU 133 N 5.37 0.39 -0.03 -1.34 4.77 -0.32 -1.37 117.00 124.46 3cxx n LEU 133 Ca -0.12 0.59 -0.01 0.00 -0.03 0.00 0.00 56.01 56.44 3cxx n LEU 133 Cb 0.43 -0.53 -0.00 0.00 -2.33 0.00 0.00 43.42 40.99 3cxx n LEU 133 CO 0.50 -0.40 -0.10 -0.09 -1.33 0.00 0.00 177.39 175.96 3cxx h ARG 134 N 0.00 0.00 0.00 3.23 2.43 -1.93 0.24 114.38 118.35 3cxx h ARG 134 Ca 0.00 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 3cxx h ARG 134 Cb 0.34 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 3cxx h ARG 134 CO 0.00 0.00 -0.19 -0.91 -1.51 0.00 0.00 179.97 177.36 3cxx h ASN 135 N -0.50 0.00 0.00 -3.80 2.35 -1.85 -1.66 115.58 110.12 3cxx h ASN 135 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3cxx h ASN 135 Cb 0.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.52 3cxx h ASN 135 CO 0.00 0.19 -0.01 0.47 -1.65 0.00 0.00 177.43 176.43 3cxx n ASP 136 N -3.52 2.02 0.00 5.81 8.00 -0.47 -4.45 116.55 123.94 3cxx n ASP 136 Ca -0.01 -2.31 0.00 0.00 0.71 0.00 0.00 54.79 53.18 3cxx n ASP 136 Cb 0.35 -0.14 0.00 0.00 -0.02 0.00 0.00 41.12 41.31 3cxx n ASP 136 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 3cxx n PHE 137 N -0.77 -0.29 -0.10 1.24 -0.00 -1.21 -4.86 117.46 111.47 3cxx n PHE 137 Ca 0.05 0.00 -0.09 0.00 -0.00 0.00 0.00 57.45 57.41 3cxx n PHE 137 Cb 0.39 0.34 -0.01 0.00 -0.00 0.00 0.00 39.48 40.20 3cxx n PHE 137 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3cxx h ALA 138 N 0.06 0.42 -0.05 3.13 0.00 -0.39 -0.75 119.26 121.68 3cxx h ALA 138 Ca 0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3cxx h ALA 138 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3cxx h ALA 138 CO 0.00 -0.12 -0.22 -0.44 0.00 0.00 0.00 179.25 178.47 3cxx h ASP 139 N 0.44 0.28 -0.58 0.00 3.32 -1.53 -1.23 116.42 117.12 3cxx h ASP 139 Ca 0.12 -0.65 0.10 0.00 0.02 0.00 0.00 57.03 56.63 3cxx h ASP 139 Cb -0.04 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 3cxx h ASP 139 CO -0.03 0.88 0.39 -0.65 -1.72 0.00 0.00 179.24 178.11 3cxx h PRO 140 N -0.30 0.36 -0.14 3.56 0.11 -1.75 0.49 132.00 134.33 3cxx h PRO 140 Ca -0.01 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.02 3cxx h PRO 140 Cb 0.87 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.89 3cxx h PRO 140 CO 0.05 0.24 -0.13 1.25 -0.21 0.00 0.00 178.00 179.20 3cxx h LEU 141 N 0.37 0.35 -0.72 2.35 5.85 -1.01 -0.24 115.31 122.27 3cxx h LEU 141 Ca 0.27 -0.47 0.10 0.00 0.84 0.00 0.00 57.88 58.62 3cxx h LEU 141 Cb 0.56 -0.10 -0.08 0.00 0.37 0.00 0.00 40.66 41.42 3cxx h LEU 141 CO -0.07 0.75 0.34 0.00 -0.34 0.00 0.00 178.44 179.12 3cxx h ALA 142 N 0.61 0.99 -0.03 1.25 0.00 -0.88 -0.92 119.26 120.29 3cxx h ALA 142 Ca 0.02 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3cxx h ALA 142 Cb 0.65 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 3cxx h ALA 142 CO 0.03 -0.08 -0.02 1.15 0.00 0.00 0.00 179.25 180.33 3cxx h THR 143 N 0.57 1.35 -0.71 0.00 2.02 -0.72 -1.66 112.91 113.76 3cxx h THR 143 Ca 0.36 -1.07 0.05 0.00 0.77 0.00 0.00 66.41 66.52 3cxx h THR 143 Cb 0.42 2.01 -0.05 0.00 -1.74 0.00 0.00 68.15 68.78 3cxx h THR 143 CO -0.30 0.29 0.42 0.00 0.37 0.00 0.00 175.52 176.30 3cxx h ALA 144 N 0.58 0.95 -0.30 6.16 0.00 -1.01 -1.60 119.26 124.04 3cxx h ALA 144 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3cxx h ALA 144 Cb 0.47 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3cxx h ALA 144 CO 0.01 0.14 0.19 1.25 0.00 0.00 0.00 179.25 180.83 3cxx h LEU 145 N 0.78 0.35 -0.60 0.00 5.85 -0.98 -2.32 115.31 118.39 3cxx h LEU 145 Ca 0.31 -0.02 -0.15 0.00 0.84 0.00 0.00 57.88 58.85 3cxx h LEU 145 Cb 0.13 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3cxx h LEU 145 CO -0.16 0.27 -0.65 0.45 -0.34 0.00 0.00 178.44 178.01 3cxx h HIS 146 N 0.40 0.27 -0.30 1.25 3.86 -1.02 0.95 115.15 120.56 3cxx h HIS 146 Ca 0.11 -0.11 0.03 0.00 -1.16 0.00 0.00 60.37 59.24 3cxx h HIS 146 Cb -0.03 -0.04 -0.03 0.00 1.06 0.00 0.00 27.41 28.37 3cxx h HIS 146 CO -0.05 0.79 0.10 0.00 0.86 0.00 0.00 177.93 179.64 3cxx h LYS 148 N 0.23 0.89 -0.42 0.00 1.63 -1.01 -0.26 116.57 117.62 3cxx h LYS 148 Ca 0.13 -0.16 -0.08 0.00 -0.85 0.00 0.00 60.65 59.69 3cxx h LYS 148 Cb 0.10 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.57 3cxx h LYS 148 CO -0.14 0.76 -0.08 0.28 -3.45 0.00 0.00 179.45 176.82 3cxx h VAL 149 N 0.83 1.25 0.00 2.00 2.07 -0.64 -2.65 116.25 119.10 3cxx h VAL 149 Ca 0.20 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.63 3cxx h VAL 149 Cb 0.20 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 3cxx h VAL 149 CO -0.02 0.37 0.00 -0.07 0.02 0.00 0.00 177.57 177.88 3cxx h LEU 150 N 0.67 0.00 0.09 2.57 4.07 -0.60 0.12 115.31 122.23 3cxx h LEU 150 Ca 0.12 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.06 3cxx h LEU 150 Cb 0.53 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.26 3cxx h LEU 150 CO 0.03 0.00 -0.02 0.61 -1.08 0.00 0.00 178.44 177.98 3cxx n GLY 151 N 1.03 0.41 3.75 0.83 0.00 -0.26 -0.15 105.19 110.80 3cxx n GLY 151 Ca 0.04 -0.96 -0.25 0.00 0.00 0.00 0.00 46.02 44.85 3cxx n GLY 151 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3cxx s ILE 152 N -2.05 4.11 0.42 -0.61 -4.36 -0.33 -4.69 121.20 113.70 3cxx s ILE 152 Ca 0.00 -1.39 -0.26 0.00 -0.26 0.00 0.00 60.65 58.74 3cxx s ILE 152 Cb 0.00 -3.14 -0.10 0.00 1.25 0.00 0.00 42.46 40.47 3cxx s ILE 152 CO 0.00 -0.22 1.42 -2.65 0.24 0.00 0.00 174.94 173.74 3cxx n PRO 153 N -0.60 2.34 -0.09 0.37 -0.02 -1.26 -4.40 135.00 131.33 3cxx n PRO 153 Ca -0.08 0.83 0.01 0.00 -2.02 0.00 0.00 63.50 62.24 3cxx n PRO 153 Cb 0.56 -2.60 0.32 0.00 -0.02 0.00 0.00 33.50 31.76 3cxx n PRO 153 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 3cxx h GLN 154 N 2.47 0.73 0.00 -0.52 1.08 -1.96 -2.24 115.11 114.68 3cxx h GLN 154 Ca -0.50 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 56.63 3cxx h GLN 154 Cb 1.26 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 28.54 3cxx h GLN 154 CO 0.62 0.53 0.00 1.05 -0.95 0.00 0.00 178.83 180.08 3cxx h GLU 155 N 0.74 0.00 0.00 1.46 4.11 -2.02 -1.77 114.58 117.11 3cxx h GLU 155 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.62 3cxx h GLU 155 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3cxx h GLU 155 CO -0.03 0.00 -0.34 -0.25 0.07 0.00 0.00 179.01 178.45 3cxx n ASP 156 N -2.50 0.43 0.08 3.06 8.00 -0.84 -4.39 116.55 120.38 3cxx n ASP 156 Ca 0.01 0.12 -0.13 0.00 0.71 0.00 0.00 54.79 55.49 3cxx n ASP 156 Cb 0.19 -0.07 -0.08 0.00 -0.02 0.00 0.00 41.12 41.13 3cxx n ASP 156 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3cxx h GLY 157 N 4.85 -0.14 0.51 0.44 0.00 -1.40 -3.11 103.07 104.21 3cxx h GLY 157 Ca 0.00 0.05 0.07 0.00 0.00 0.00 0.00 47.33 47.45 3cxx h GLY 157 CO 0.00 -0.05 0.19 -2.55 0.00 0.00 0.00 176.54 174.13 3cxx h PRO 158 N -0.26 0.35 -0.57 4.80 0.11 -1.77 0.58 132.00 135.26 3cxx h PRO 158 Ca -0.01 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.97 3cxx h PRO 158 Cb 0.22 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.23 3cxx h PRO 158 CO 0.02 0.23 -0.06 1.57 -0.21 0.00 0.00 178.00 179.56 3cxx h LYS 159 N 0.37 1.03 -0.64 1.05 -0.00 -1.84 -1.98 116.57 114.56 3cxx h LYS 159 Ca 0.25 -0.35 0.02 0.00 -0.00 0.00 0.00 60.65 60.57 3cxx h LYS 159 Cb 0.27 -0.08 -0.04 0.00 -0.00 0.00 0.00 32.23 32.38 3cxx h LYS 159 CO -0.25 1.04 0.41 -0.07 -0.00 0.00 0.00 179.45 180.58 3cxx h LEU 160 N 0.93 0.68 -0.89 7.07 3.38 -1.42 -2.66 115.31 122.39 3cxx h LEU 160 Ca 0.15 -0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.23 3cxx h LEU 160 Cb 0.62 -0.16 -0.08 0.00 0.09 0.00 0.00 40.66 41.13 3cxx h LEU 160 CO 0.04 0.48 0.53 0.15 0.09 0.00 0.00 178.44 179.73 3cxx h PHE 161 N 0.81 0.96 0.00 1.13 3.57 -0.63 -2.61 116.94 120.16 3cxx h PHE 161 Ca 0.25 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.78 3cxx h PHE 161 Cb -0.03 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.42 3cxx h PHE 161 CO -0.04 0.37 0.00 0.00 -2.23 0.00 0.00 178.31 176.41 3cxx h ARG 162 N 0.85 0.00 0.00 1.11 2.47 -1.00 -1.18 114.38 116.64 3cxx h ARG 162 Ca 0.44 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 59.12 3cxx h ARG 162 Cb 0.44 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.75 3cxx h ARG 162 CO -0.27 0.00 -0.20 0.77 0.56 0.00 0.00 179.97 180.83 3cxx h SER 163 N 0.00 0.00 0.62 7.04 0.02 -1.47 -3.36 113.55 116.41 3cxx h SER 163 Ca 0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 3cxx h SER 163 Cb 0.45 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.98 3cxx h SER 163 CO 0.00 0.20 -0.46 -0.07 -1.14 0.00 0.00 176.83 175.37 3cxx h LEU 164 N 0.00 0.00 -2.52 5.07 3.38 -1.34 0.16 115.31 120.07 3cxx h LEU 164 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3cxx h LEU 164 Cb 0.47 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 3cxx h LEU 164 CO 0.03 0.46 -0.01 0.77 0.09 0.00 0.00 178.44 179.77 3cxx h SER 165 N 0.00 0.00 0.00 -0.43 4.64 -1.76 -2.45 113.55 113.55 3cxx h SER 165 Ca -0.00 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 60.93 3cxx h SER 165 Cb 0.90 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.93 3cxx h SER 165 CO 0.06 0.01 -2.30 -0.38 -0.87 0.00 0.00 176.83 173.35 3cxx n ILE 166 N -3.20 1.28 -0.29 0.95 5.41 -0.98 -4.40 119.36 118.13 3cxx n ILE 166 Ca -0.02 -0.35 0.17 0.00 1.00 0.00 0.00 62.75 63.54 3cxx n ILE 166 Cb 0.14 -1.72 0.44 0.00 -0.71 0.00 0.00 39.64 37.79 3cxx n ILE 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3cxx h ALA 167 N -0.69 2.01 -0.63 -1.39 0.00 -0.91 -0.82 119.26 116.82 3cxx h ALA 167 Ca -0.58 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.26 3cxx h ALA 167 Cb 1.56 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 19.24 3cxx h ALA 167 CO -0.31 -0.33 0.14 1.19 0.00 0.00 0.00 179.25 179.93 3cxx n PHE 168 N -4.60 2.18 -1.98 0.00 3.01 -0.93 -4.82 117.46 110.33 3cxx n PHE 168 Ca 0.21 -1.00 -0.37 0.00 1.01 0.00 0.00 57.45 57.30 3cxx n PHE 168 Cb 0.66 -0.59 0.03 0.00 -0.01 0.00 0.00 39.48 39.56 3cxx n PHE 168 CO 0.00 0.00 0.00 -1.64 1.01 0.00 0.00 176.76 176.13 3cxx s MET 169 N -2.90 3.19 -0.56 -1.08 -1.94 -0.32 0.13 119.30 115.83 3cxx s MET 169 Ca 0.54 1.97 -0.04 0.00 -1.71 0.00 0.00 55.69 56.45 3cxx s MET 169 Cb 0.43 -2.15 0.14 0.00 2.01 0.00 0.00 34.83 35.26 3cxx s MET 169 CO 0.14 -1.07 0.38 0.45 -0.01 0.00 0.00 175.02 174.91 3cxx s SER 170 N -1.31 5.35 0.06 3.03 0.15 0.16 -4.57 113.70 116.58 3cxx s SER 170 Ca 0.73 -2.52 0.09 0.00 0.70 0.00 0.00 55.95 54.95 3cxx s SER 170 Cb -0.34 -1.88 -0.03 0.00 -1.71 0.00 0.00 66.02 62.06 3cxx s SER 170 CO 0.39 -0.46 -0.25 -0.55 1.20 0.00 0.00 173.24 173.57 3cxx s SER 171 N 1.27 3.32 0.40 5.45 0.15 -1.26 -4.34 113.70 118.69 3cxx s SER 171 Ca 0.13 -0.59 0.20 0.00 0.70 0.00 0.00 55.95 56.39 3cxx s SER 171 Cb -0.21 -0.33 0.78 0.00 -1.71 0.00 0.00 66.02 64.54 3cxx s SER 171 CO -0.04 0.24 1.78 0.00 1.20 0.00 0.00 173.24 176.42 3cxx h ALA 172 N 4.54 1.04 -2.94 5.45 0.00 -1.92 0.19 119.26 125.62 3cxx h ALA 172 Ca -0.48 -0.30 -0.45 0.00 0.00 0.00 0.00 54.91 53.69 3cxx h ALA 172 Cb 1.15 -0.05 -0.18 0.00 0.00 0.00 0.00 17.79 18.70 3cxx h ALA 172 CO 0.43 0.41 -0.77 -0.51 0.00 0.00 0.00 179.25 178.81 3cxx s ASP 173 N -6.39 2.19 0.54 0.00 1.01 -1.26 -4.44 116.67 108.32 3cxx s ASP 173 Ca -0.00 -0.81 -0.20 0.00 0.71 0.00 0.00 52.55 52.24 3cxx s ASP 173 Cb 0.11 -0.09 -0.08 0.00 1.01 0.00 0.00 42.92 43.87 3cxx s ASP 173 CO 0.67 -0.11 0.85 -2.65 0.21 0.00 0.00 175.17 174.14 3cxx n PRO 174 N 0.51 0.91 -3.88 8.23 -0.02 -1.26 -4.72 135.00 134.76 3cxx n PRO 174 Ca -0.15 0.34 -0.35 0.00 -2.02 0.00 0.00 63.50 61.32 3cxx n PRO 174 Cb 0.57 -1.99 -0.13 0.00 -0.02 0.00 0.00 33.50 31.93 3cxx n PRO 174 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3cxx s ILE 175 N -1.50 3.01 0.24 4.25 1.01 -1.26 -5.01 121.20 121.94 3cxx s ILE 175 Ca 0.70 -1.70 -0.06 0.00 0.00 0.00 0.00 60.65 59.59 3cxx s ILE 175 Cb -0.47 -2.88 0.24 0.00 0.01 0.00 0.00 42.46 39.36 3cxx s ILE 175 CO 0.52 -0.34 1.67 -0.65 0.00 0.00 0.00 174.94 176.14 3cxx h PRO 176 N 7.97 0.21 -0.70 2.79 0.11 -2.00 -0.69 132.00 139.68 3cxx h PRO 176 Ca -0.17 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 66.01 3cxx h PRO 176 Cb 1.05 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.07 3cxx h PRO 176 CO 0.58 0.14 0.46 0.00 -0.21 0.00 0.00 178.00 178.97 3cxx h ALA 177 N 1.63 1.80 -0.53 -0.75 0.00 -2.00 -2.41 119.26 117.00 3cxx h ALA 177 Ca 0.41 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 3cxx h ALA 177 Cb 0.71 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 3cxx h ALA 177 CO -0.55 0.07 0.29 0.00 0.00 0.00 0.00 179.25 179.06 3cxx h ALA 178 N 1.63 0.68 -0.22 0.00 0.00 -1.46 -0.79 119.26 119.11 3cxx h ALA 178 Ca 0.31 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 3cxx h ALA 178 Cb 0.38 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3cxx h ALA 178 CO -0.10 0.21 0.12 -0.22 0.00 0.00 0.00 179.25 179.26 3cxx h LYS 179 N 0.72 0.31 -0.33 0.00 3.64 -1.40 -0.24 116.57 119.27 3cxx h LYS 179 Ca 0.19 -0.04 0.07 0.00 -1.27 0.00 0.00 60.65 59.60 3cxx h LYS 179 Cb 0.05 -0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 31.73 3cxx h LYS 179 CO -0.03 0.28 -0.19 0.82 -2.27 0.00 0.00 179.45 178.06 3cxx h ILE 180 N 0.26 0.45 -0.45 2.00 2.04 -1.20 -1.21 117.51 119.41 3cxx h ILE 180 Ca 0.08 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.80 3cxx h ILE 180 Cb 0.06 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 3cxx h ILE 180 CO -0.01 0.00 -0.25 0.78 0.00 0.00 0.00 178.15 178.67 3cxx h ASN 181 N -0.15 0.98 0.37 1.72 2.35 -1.12 -1.61 115.58 118.11 3cxx h ASN 181 Ca 0.17 -0.38 -0.01 0.00 -0.55 0.00 0.00 56.30 55.53 3cxx h ASN 181 Cb 0.41 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 3cxx h ASN 181 CO -0.42 1.17 -0.28 -0.25 -1.65 0.00 0.00 177.43 176.00 3cxx h TRP 182 N 0.81 -0.75 -0.78 1.19 2.91 -0.88 0.21 115.95 118.66 3cxx h TRP 182 Ca 0.10 -0.00 -0.03 0.00 1.13 0.00 0.00 58.89 60.09 3cxx h TRP 182 Cb 0.82 0.28 -0.04 0.00 -0.51 0.00 0.00 29.16 29.72 3cxx h TRP 182 CO 0.05 -0.42 0.38 -0.44 -1.03 0.00 0.00 178.44 176.98 3cxx h ASP 183 N -0.65 1.02 -0.51 2.65 3.32 -1.15 0.17 116.42 121.27 3cxx h ASP 183 Ca -0.03 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 56.84 3cxx h ASP 183 Cb 0.56 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 3cxx h ASP 183 CO -0.01 0.87 0.15 -0.09 -1.72 0.00 0.00 179.24 178.44 3cxx h ARG 184 N 1.11 0.80 -0.27 3.56 9.65 -1.10 -1.49 114.38 126.63 3cxx h ARG 184 Ca 0.27 -0.18 -0.14 0.00 -1.10 0.00 0.00 59.98 58.83 3cxx h ARG 184 Cb 0.11 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.57 3cxx h ARG 184 CO -0.03 0.75 -0.39 -0.44 2.80 0.00 0.00 179.97 182.65 3cxx h ASP 185 N 0.69 0.67 -0.51 -3.80 3.32 -0.06 -1.25 116.42 115.49 3cxx h ASP 185 Ca 0.16 -0.30 0.01 0.00 0.02 0.00 0.00 57.03 56.92 3cxx h ASP 185 Cb 0.30 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.63 3cxx h ASP 185 CO -0.00 0.99 0.34 0.40 -1.72 0.00 0.00 179.24 179.24 3cxx h ILE 186 N 0.53 1.12 -0.75 0.35 1.08 -0.58 -1.30 117.51 117.94 3cxx h ILE 186 Ca 0.05 -0.23 -0.04 0.00 -0.39 0.00 0.00 64.86 64.24 3cxx h ILE 186 Cb 0.91 0.38 -0.03 0.00 -3.07 0.00 0.00 36.82 35.00 3cxx h ILE 186 CO 0.08 0.12 0.31 -0.33 -0.69 0.00 0.00 178.15 177.65 3cxx h GLU 187 N 0.68 1.11 -0.03 2.37 4.39 -0.80 -0.45 114.58 121.85 3cxx h GLU 187 Ca 0.19 -0.19 0.01 0.00 0.34 0.00 0.00 59.36 59.71 3cxx h GLU 187 Cb -0.06 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.39 3cxx h GLU 187 CO -0.05 0.89 -0.00 -0.92 -1.16 0.00 0.00 179.01 177.77 3cxx h TYR 188 N 1.09 -0.00 -0.05 4.33 3.20 -0.97 -1.03 116.97 123.53 3cxx h TYR 188 Ca 0.25 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 62.03 3cxx h TYR 188 Cb 0.19 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 3cxx h TYR 188 CO 0.02 -0.01 -0.40 0.52 -1.64 0.00 0.00 178.16 176.65 3cxx h MET 189 N 0.01 0.12 -0.51 1.82 2.86 -0.93 -0.76 114.93 117.54 3cxx h MET 189 Ca 0.02 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.53 3cxx h MET 189 Cb 0.02 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 3cxx h MET 189 CO -0.03 0.51 0.02 0.00 1.06 0.00 0.00 176.91 178.47 3cxx h ALA 190 N 1.49 0.69 -0.81 6.32 0.00 -0.84 -2.19 119.26 123.92 3cxx h ALA 190 Ca 0.01 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 3cxx h ALA 190 Cb 0.76 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 3cxx h ALA 190 CO 0.06 0.48 0.40 0.78 0.00 0.00 0.00 179.25 180.97 3cxx h GLY 191 N 0.76 1.23 0.86 0.00 0.00 -0.68 -2.46 103.07 102.78 3cxx h GLY 191 Ca 0.15 -0.59 0.04 0.00 0.00 0.00 0.00 47.33 46.92 3cxx h GLY 191 CO 0.02 0.56 0.53 -2.22 0.00 0.00 0.00 176.54 175.43 3cxx h ILE 192 N 1.14 1.12 0.00 2.60 1.08 -0.98 -1.69 117.51 120.78 3cxx h ILE 192 Ca 0.28 -0.35 0.00 0.00 -0.39 0.00 0.00 64.86 64.40 3cxx h ILE 192 Cb 0.09 0.01 0.00 0.00 -3.07 0.00 0.00 36.82 33.85 3cxx h ILE 192 CO -0.04 0.19 0.00 -0.07 -0.69 0.00 0.00 178.15 177.54 3cxx h LEU 193 N 1.02 0.00 -1.35 1.44 3.38 -0.93 -2.15 115.31 116.72 3cxx h LEU 193 Ca 0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.30 3cxx h LEU 193 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3cxx h LEU 193 CO -0.12 0.00 -0.29 -0.62 0.09 0.00 0.00 178.44 177.50 3cxx n GLU 194 N -2.87 1.64 -3.26 1.13 -0.58 -0.70 -4.86 120.64 111.14 3cxx n GLU 194 Ca -0.00 -1.35 -0.41 0.00 -0.42 0.00 0.00 57.16 54.97 3cxx n GLU 194 Cb 0.22 -1.47 -0.08 0.00 -0.57 0.00 0.00 31.44 29.53 3cxx n GLU 194 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 3cxx s ASN 195 N -2.29 6.30 0.49 1.62 3.84 -0.79 -4.95 114.94 119.16 3cxx s ASN 195 Ca 0.22 -0.09 0.30 0.00 0.21 0.00 0.00 52.86 53.50 3cxx s ASN 195 Cb 0.19 -2.26 1.04 0.00 -0.55 0.00 0.00 41.25 39.67 3cxx s ASN 195 CO 0.46 -0.48 1.86 1.55 -2.79 0.00 0.00 177.10 177.70 3cxx h PRO 196 N 8.48 0.00 0.00 0.43 0.13 -1.90 -1.78 132.00 137.36 3cxx h PRO 196 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3cxx h PRO 196 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3cxx h PRO 196 CO 0.77 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.63 3cxx n ASN 197 N -3.00 0.54 -4.37 1.44 3.02 -1.26 -4.59 115.26 107.04 3cxx n ASN 197 Ca 0.02 0.67 -0.45 0.00 -0.03 0.00 0.00 54.58 54.78 3cxx n ASN 197 Cb 0.36 -0.77 -0.05 0.00 -0.61 0.00 0.00 39.78 38.71 3cxx n ASN 197 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3cxx s ILE 198 N -3.33 5.03 0.00 2.41 -1.09 -0.67 -4.81 121.20 118.74 3cxx s ILE 198 Ca 0.03 -1.10 0.00 0.00 -2.23 0.00 0.00 60.65 57.34 3cxx s ILE 198 Cb 0.08 -4.35 0.00 0.00 -1.58 0.00 0.00 42.46 36.61 3cxx s ILE 198 CO 0.31 -0.90 0.07 0.35 -1.23 0.00 0.00 174.94 173.55 3cxx n THR 199 N 5.40 0.00 -4.14 2.92 -2.24 -1.26 -4.32 114.28 110.63 3cxx n THR 199 Ca -0.11 -0.30 -0.25 0.00 -2.27 0.00 0.00 64.05 61.12 3cxx n THR 199 Cb 0.42 1.10 -0.07 0.00 -2.10 0.00 0.00 70.33 69.67 3cxx n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3cxx s THR 200 N -0.46 2.38 0.00 4.28 -4.23 -1.26 -4.51 115.64 111.84 3cxx s THR 200 Ca 0.00 -1.71 0.00 0.00 -1.18 0.00 0.00 61.69 58.80 3cxx s THR 200 Cb 0.00 -2.98 0.00 0.00 1.34 0.00 0.00 72.50 70.86 3cxx s THR 200 CO 0.00 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 3cxx n GLY 201 N -1.21 -1.45 0.19 3.99 0.00 -1.26 -1.44 105.19 104.00 3cxx n GLY 201 Ca -0.01 -1.19 -0.06 0.00 0.00 0.00 0.00 46.02 44.76 3cxx n GLY 201 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3cxx h LEU 202 N 0.00 0.36 -0.55 0.99 5.85 -0.74 -1.92 115.31 119.29 3cxx h LEU 202 Ca 0.00 0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.59 3cxx h LEU 202 Cb 0.00 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 3cxx h LEU 202 CO 0.00 0.25 -0.35 0.24 -0.34 0.00 0.00 178.44 178.24 3cxx h MET 203 N 0.47 0.79 -0.39 1.25 2.86 -0.71 0.69 114.93 119.90 3cxx h MET 203 Ca 0.18 -0.39 0.05 0.00 -2.06 0.00 0.00 59.70 57.48 3cxx h MET 203 Cb 0.07 -0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.68 3cxx h MET 203 CO -0.11 1.02 0.13 0.78 1.06 0.00 0.00 176.91 179.78 3cxx h GLY 204 N 0.91 0.49 0.87 8.32 0.00 -1.09 0.21 103.07 112.78 3cxx h GLY 204 Ca 0.06 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3cxx h GLY 204 CO 0.08 0.02 0.04 -2.09 0.00 0.00 0.00 176.54 174.59 3cxx h GLU 205 N 0.28 0.15 -0.64 4.80 4.57 -1.19 -2.63 114.58 119.92 3cxx h GLU 205 Ca 0.18 -0.03 0.03 0.00 -1.18 0.00 0.00 59.36 58.37 3cxx h GLU 205 Cb 0.16 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.69 3cxx h GLU 205 CO -0.19 0.26 0.43 -0.07 -1.18 0.00 0.00 179.01 178.25 3cxx h LEU 206 N 0.01 0.65 -0.36 1.64 3.38 -0.74 -0.57 115.31 119.32 3cxx h LEU 206 Ca 0.03 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.02 3cxx h LEU 206 Cb 0.16 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3cxx h LEU 206 CO -0.00 0.45 0.18 0.28 0.09 0.00 0.00 178.44 179.43 3cxx h SER 207 N 0.76 0.26 -0.28 -0.43 0.02 -0.85 0.44 113.55 113.47 3cxx h SER 207 Ca 0.26 0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.16 3cxx h SER 207 Cb 0.09 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 3cxx h SER 207 CO -0.07 0.19 -0.06 0.03 -1.14 0.00 0.00 176.83 175.78 3cxx h ARG 208 N 0.37 0.53 -0.07 3.45 3.08 -1.05 -3.24 114.38 117.46 3cxx h ARG 208 Ca 0.15 -0.20 -0.06 0.00 0.07 0.00 0.00 59.98 59.94 3cxx h ARG 208 Cb 0.06 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 3cxx h ARG 208 CO -0.10 0.73 -0.23 -0.07 -1.07 0.00 0.00 179.97 179.23 3cxx h LEU 209 N 0.29 0.11 -2.44 3.04 3.38 -0.82 -1.61 115.31 117.26 3cxx h LEU 209 Ca 0.07 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3cxx h LEU 209 Cb 0.53 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 3cxx h LEU 209 CO 0.03 0.34 -0.01 -0.09 0.09 0.00 0.00 178.44 178.80 3cxx h ARG 210 N 0.10 0.00 -0.14 1.13 2.43 -0.94 -2.11 114.38 114.86 3cxx h ARG 210 Ca 0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 3cxx h ARG 210 Cb 0.47 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 3cxx h ARG 210 CO 0.03 0.01 0.00 1.63 -1.51 0.00 0.00 179.97 180.13 3cxx n LYS 211 N -3.83 1.47 -2.85 0.20 4.76 -0.66 -4.76 118.16 112.49 3cxx n LYS 211 Ca -0.03 -1.57 -0.41 0.00 -2.87 0.00 0.00 58.31 53.43 3cxx n LYS 211 Cb 0.09 -1.29 -0.05 0.00 -1.84 0.00 0.00 35.03 31.95 3cxx n LYS 211 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3cxx s ASP 212 N -1.11 7.34 0.47 4.39 -1.08 -0.79 -4.95 116.67 120.93 3cxx s ASP 212 Ca 0.20 1.61 0.14 0.00 -0.52 0.00 0.00 52.55 53.98 3cxx s ASP 212 Cb 0.13 -2.53 1.12 0.00 -1.46 0.00 0.00 42.92 40.18 3cxx s ASP 212 CO 0.18 -0.05 2.07 1.55 0.52 0.00 0.00 175.17 179.44 3cxx h PRO 213 N 5.76 0.24 0.00 4.34 0.13 -1.92 -1.27 132.00 139.28 3cxx h PRO 213 Ca -0.43 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3cxx h PRO 213 Cb 1.21 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3cxx h PRO 213 CO 0.72 0.16 0.00 0.00 -0.23 0.00 0.00 178.00 178.65 3cxx n ALA 214 N -2.53 1.61 -1.96 -0.56 0.00 -1.26 -2.50 120.51 113.31 3cxx n ALA 214 Ca 0.03 -0.04 0.03 0.00 0.00 0.00 0.00 53.44 53.46 3cxx n ALA 214 Cb 0.21 -1.11 0.04 0.00 0.00 0.00 0.00 19.45 18.59 3cxx n ALA 214 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3cxx n TYR 215 N -1.17 0.00 -0.26 0.00 4.02 -0.49 -4.92 117.16 114.34 3cxx n TYR 215 Ca 0.04 -0.35 0.13 0.00 -0.01 0.00 0.00 57.90 57.70 3cxx n TYR 215 Cb 0.04 -0.10 0.39 0.00 -0.02 0.00 0.00 39.34 39.65 3cxx n TYR 215 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3cxx h SER 216 N 0.30 0.63 -0.63 7.72 4.64 -1.40 -2.44 113.55 122.37 3cxx h SER 216 Ca -0.06 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3cxx h SER 216 Cb 1.44 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.45 3cxx h SER 216 CO 0.02 0.31 0.00 1.41 -0.87 0.00 0.00 176.83 177.71 3cxx n HIS 217 N -4.56 1.66 -2.80 4.77 8.25 -1.26 -4.87 115.22 116.41 3cxx n HIS 217 Ca 0.17 -0.63 -0.41 0.00 -0.26 0.00 0.00 57.72 56.60 3cxx n HIS 217 Cb 0.49 -0.32 -0.04 0.00 1.12 0.00 0.00 29.99 31.24 3cxx n HIS 217 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3cxx s VAL 218 N -2.09 4.62 0.43 1.59 1.01 -0.92 -5.04 120.40 120.00 3cxx s VAL 218 Ca 0.52 1.95 -0.22 0.00 0.00 0.00 0.00 61.98 64.23 3cxx s VAL 218 Cb 0.35 -4.26 -0.10 0.00 0.00 0.00 0.00 36.38 32.37 3cxx s VAL 218 CO 0.22 0.31 1.00 -0.94 0.00 0.00 0.00 175.10 175.69 3cxx s SER 219 N 0.14 6.76 0.50 3.32 1.04 -1.26 -4.91 113.70 119.28 3cxx s SER 219 Ca 0.45 1.87 0.21 0.00 0.48 0.00 0.00 55.95 58.96 3cxx s SER 219 Cb -0.22 -2.56 1.27 0.00 0.10 0.00 0.00 66.02 64.61 3cxx s SER 219 CO 0.28 -0.49 2.01 0.44 0.98 0.00 0.00 173.24 176.46 3cxx h ASP 220 N 2.10 0.11 -0.29 7.02 3.45 -1.97 -1.66 116.42 125.18 3cxx h ASP 220 Ca -0.49 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 56.94 3cxx h ASP 220 Cb 1.20 -0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 39.94 3cxx h ASP 220 CO 0.61 0.06 0.06 -0.08 -1.57 0.00 0.00 179.24 178.32 3cxx h GLU 221 N 0.12 0.48 -0.72 3.56 4.57 -2.00 -2.43 114.58 118.16 3cxx h GLU 221 Ca 0.23 -0.12 -0.02 0.00 -1.18 0.00 0.00 59.36 58.26 3cxx h GLU 221 Cb 0.74 -0.06 -0.03 0.00 -0.16 0.00 0.00 28.75 29.24 3cxx h GLU 221 CO -0.03 0.57 0.38 1.25 -1.18 0.00 0.00 179.01 180.00 3cxx h LEU 222 N 0.31 0.92 -0.39 1.64 5.85 -1.68 -1.26 115.31 120.69 3cxx h LEU 222 Ca 0.09 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.71 3cxx h LEU 222 Cb 0.32 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 3cxx h LEU 222 CO 0.00 0.77 0.25 -0.26 -0.34 0.00 0.00 178.44 178.86 3cxx h PHE 223 N 1.00 0.48 -0.66 1.25 -1.00 -1.32 -1.12 116.94 115.57 3cxx h PHE 223 Ca 0.25 0.01 -0.07 0.00 2.81 0.00 0.00 57.97 60.98 3cxx h PHE 223 Cb 0.07 -0.16 -0.03 0.00 3.61 0.00 0.00 35.95 39.44 3cxx h PHE 223 CO 0.00 0.30 0.15 0.00 -1.61 0.00 0.00 178.31 177.14 3cxx h ALA 224 N 1.15 0.88 -0.43 2.45 0.00 -1.32 -2.92 119.26 119.07 3cxx h ALA 224 Ca 0.15 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.82 3cxx h ALA 224 Cb -0.05 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 3cxx h ALA 224 CO -0.04 0.61 0.25 1.15 0.00 0.00 0.00 179.25 181.22 3cxx h THR 225 N 1.00 1.05 -0.53 0.00 2.02 -0.90 -1.45 112.91 114.10 3cxx h THR 225 Ca 0.21 -0.18 0.07 0.00 0.77 0.00 0.00 66.41 67.28 3cxx h THR 225 Cb 0.39 0.49 -0.06 0.00 -1.74 0.00 0.00 68.15 67.23 3cxx h THR 225 CO 0.01 0.09 0.20 0.40 0.37 0.00 0.00 175.52 176.59 3cxx h ILE 226 N 0.51 0.82 -0.10 3.11 2.04 -1.10 -0.18 117.51 122.62 3cxx h ILE 226 Ca 0.17 -0.13 0.03 0.00 1.00 0.00 0.00 64.86 65.93 3cxx h ILE 226 Cb 0.01 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 36.45 3cxx h ILE 226 CO -0.08 0.07 -0.13 1.23 0.00 0.00 0.00 178.15 179.25 3cxx h GLY 227 N 0.38 -0.07 0.81 5.37 0.00 -1.23 -0.77 103.07 107.57 3cxx h GLY 227 Ca 0.26 0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.73 3cxx h GLY 227 CO -0.26 -0.13 0.02 -2.08 0.00 0.00 0.00 176.54 174.10 3cxx h VAL 228 N -0.16 1.21 -0.68 4.60 2.07 -0.91 -1.46 116.25 120.92 3cxx h VAL 228 Ca 0.08 -0.65 -0.07 0.00 0.82 0.00 0.00 66.70 66.88 3cxx h VAL 228 Cb 0.28 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 3cxx h VAL 228 CO -0.20 0.19 0.15 0.71 0.02 0.00 0.00 177.57 178.44 3cxx h THR 229 N -0.02 1.26 -0.07 2.57 1.35 -1.03 -0.71 112.91 116.27 3cxx h THR 229 Ca 0.04 -0.98 -0.24 0.00 -0.55 0.00 0.00 66.41 64.68 3cxx h THR 229 Cb 0.27 0.59 0.01 0.00 -1.73 0.00 0.00 68.15 67.30 3cxx h THR 229 CO 0.00 0.37 -0.90 -0.26 -0.25 0.00 0.00 175.52 174.48 3cxx h PHE 230 N 1.02 0.97 -0.06 4.73 -1.00 -1.11 -0.51 116.94 120.99 3cxx h PHE 230 Ca 0.21 -0.48 0.00 0.00 2.81 0.00 0.00 57.97 60.51 3cxx h PHE 230 Cb 0.39 -0.13 -0.00 0.00 3.61 0.00 0.00 35.95 39.81 3cxx h PHE 230 CO 0.03 1.31 0.03 0.35 -1.61 0.00 0.00 178.31 178.42 3cxx h PHE 231 N 0.43 0.06 0.08 -0.55 3.57 -1.18 -1.14 116.94 118.19 3cxx h PHE 231 Ca -0.09 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.41 3cxx h PHE 231 Cb 1.54 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.26 3cxx h PHE 231 CO 0.09 0.03 -0.04 0.78 -2.23 0.00 0.00 178.31 176.94 3cxx h GLY 232 N 0.07 -0.11 1.01 2.40 0.00 -1.05 0.25 103.07 105.64 3cxx h GLY 232 Ca 0.02 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.40 3cxx h GLY 232 CO -0.02 -0.04 0.46 0.00 0.00 0.00 0.00 176.54 176.95 3cxx h ALA 233 N 0.39 0.93 -0.07 3.60 0.00 -1.15 -0.40 119.26 122.56 3cxx h ALA 233 Ca -0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3cxx h ALA 233 Cb 0.42 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3cxx h ALA 233 CO 0.02 0.38 -0.03 0.78 0.00 0.00 0.00 179.25 180.39 3cxx h GLY 234 N 1.00 0.16 0.88 0.00 0.00 -1.16 -0.81 103.07 103.12 3cxx h GLY 234 Ca 0.27 -0.14 -0.06 0.00 0.00 0.00 0.00 47.33 47.40 3cxx h GLY 234 CO -0.05 0.13 -0.04 -2.08 0.00 0.00 0.00 176.54 174.50 3cxx h VAL 235 N -0.23 1.27 -0.59 4.60 2.07 -0.83 -0.95 116.25 121.59 3cxx h VAL 235 Ca 0.02 -1.02 -0.10 0.00 0.82 0.00 0.00 66.70 66.42 3cxx h VAL 235 Cb 0.47 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 3cxx h VAL 235 CO 0.01 0.33 -0.02 -0.29 0.02 0.00 0.00 177.57 177.62 3cxx h ILE 236 N 0.31 1.26 -0.13 4.57 6.09 -1.13 -1.25 117.51 127.23 3cxx h ILE 236 Ca 0.08 -1.16 -0.19 0.00 -1.37 0.00 0.00 64.86 62.22 3cxx h ILE 236 Cb 0.49 0.82 0.01 0.00 0.47 0.00 0.00 36.82 38.62 3cxx h ILE 236 CO 0.02 0.42 -0.65 0.28 -3.07 0.00 0.00 178.15 175.15 3cxx h SER 237 N 0.95 0.79 0.08 2.19 0.02 -1.02 -2.12 113.55 114.43 3cxx h SER 237 Ca 0.17 -0.64 -0.19 0.00 -0.84 0.00 0.00 61.79 60.29 3cxx h SER 237 Cb 0.57 -0.23 0.02 0.00 0.14 0.00 0.00 62.40 62.89 3cxx h SER 237 CO 0.03 1.30 -0.78 0.71 -1.14 0.00 0.00 176.83 176.95 3cxx h THR 238 N 0.33 1.45 -0.47 -2.27 1.35 -1.20 -0.73 112.91 111.37 3cxx h THR 238 Ca -0.05 -2.33 0.01 0.00 -0.55 0.00 0.00 66.41 63.50 3cxx h THR 238 Cb 1.29 2.88 -0.03 0.00 -1.73 0.00 0.00 68.15 70.56 3cxx h THR 238 CO 0.13 0.67 0.30 1.23 -0.25 0.00 0.00 175.52 177.60 3cxx h GLY 239 N -0.17 0.65 0.87 5.82 0.00 -1.33 -0.44 103.07 108.47 3cxx h GLY 239 Ca -0.12 -0.23 -0.06 0.00 0.00 0.00 0.00 47.33 46.92 3cxx h GLY 239 CO 0.15 0.22 -0.08 1.76 0.00 0.00 0.00 176.54 178.59 3cxx h SER 240 N 0.60 0.53 -0.08 0.19 0.02 -1.44 -2.23 113.55 111.15 3cxx h SER 240 Ca 0.18 -0.38 -0.00 0.00 -0.84 0.00 0.00 61.79 60.75 3cxx h SER 240 Cb -0.04 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 62.35 3cxx h SER 240 CO -0.05 0.78 0.03 0.15 -1.14 0.00 0.00 176.83 176.60 3cxx h PHE 241 N 0.27 0.11 -0.42 3.45 3.57 -1.03 -1.90 116.94 121.00 3cxx h PHE 241 Ca 0.07 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.58 3cxx h PHE 241 Cb 0.56 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.24 3cxx h PHE 241 CO 0.05 0.22 0.23 1.25 -2.23 0.00 0.00 178.31 177.84 3cxx h LEU 242 N -0.03 0.37 -0.26 0.59 5.85 -1.11 0.85 115.31 121.57 3cxx h LEU 242 Ca 0.03 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.82 3cxx h LEU 242 Cb 0.15 -0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.05 3cxx h LEU 242 CO -0.00 0.26 -0.17 0.74 -0.34 0.00 0.00 178.44 178.93 3cxx h THR 243 N 0.47 0.51 0.00 1.05 2.02 -1.29 0.15 112.91 115.83 3cxx h THR 243 Ca 0.17 0.00 -0.12 0.00 0.77 0.00 0.00 66.41 67.23 3cxx h THR 243 Cb 0.03 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 3cxx h THR 243 CO -0.09 0.00 -0.57 0.71 0.37 0.00 0.00 175.52 175.94 3cxx h THR 244 N -0.15 1.10 -0.48 3.16 1.35 -0.93 -2.42 112.91 114.53 3cxx h THR 244 Ca 0.14 -2.21 -0.09 0.00 -0.55 0.00 0.00 66.41 63.70 3cxx h THR 244 Cb 0.37 2.31 -0.02 0.00 -1.73 0.00 0.00 68.15 69.08 3cxx h THR 244 CO -0.35 0.56 -0.06 0.00 -0.25 0.00 0.00 175.52 175.42 3cxx h ALA 245 N 1.43 0.65 -0.83 6.62 0.00 -0.39 -2.12 119.26 124.62 3cxx h ALA 245 Ca -0.01 -0.31 0.13 0.00 0.00 0.00 0.00 54.91 54.73 3cxx h ALA 245 Cb 1.26 -0.17 -0.09 0.00 0.00 0.00 0.00 17.79 18.79 3cxx h ALA 245 CO 0.07 0.51 0.43 -0.07 0.00 0.00 0.00 179.25 180.19 3cxx h LEU 246 N 0.73 0.54 0.16 0.00 3.38 -0.47 -0.43 115.31 119.22 3cxx h LEU 246 Ca 0.13 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.17 3cxx h LEU 246 Cb 0.59 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 3cxx h LEU 246 CO 0.04 0.25 -0.09 0.40 0.09 0.00 0.00 178.44 179.13 3cxx h ILE 247 N 0.65 0.81 -0.90 1.22 2.04 -1.04 0.27 117.51 120.55 3cxx h ILE 247 Ca 0.44 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.37 3cxx h ILE 247 Cb 0.58 0.81 -0.06 0.00 -0.74 0.00 0.00 36.82 37.41 3cxx h ILE 247 CO -0.34 0.00 0.59 0.28 0.00 0.00 0.00 178.15 178.68 3cxx h SER 248 N -0.24 0.90 0.21 1.72 0.02 -1.01 0.24 113.55 115.39 3cxx h SER 248 Ca -0.02 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 3cxx h SER 248 Cb 0.19 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.55 3cxx h SER 248 CO 0.02 0.58 -0.10 0.25 -1.14 0.00 0.00 176.83 176.45 3cxx h LEU 249 N 1.03 -0.23 -1.16 5.07 5.85 -0.90 -3.17 115.31 121.80 3cxx h LEU 249 Ca 0.39 -0.25 0.05 0.00 0.84 0.00 0.00 57.88 58.92 3cxx h LEU 249 Cb 0.20 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 3cxx h LEU 249 CO -0.15 0.15 0.58 0.40 -0.34 0.00 0.00 178.44 179.08 3cxx h ILE 250 N -0.65 1.10 0.00 4.05 2.04 -0.41 0.94 117.51 124.57 3cxx h ILE 250 Ca -0.03 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.47 3cxx h ILE 250 Cb 0.47 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 3cxx h ILE 250 CO 0.05 0.19 0.00 0.00 0.00 0.00 0.00 178.15 178.39 3cxx n GLN 251 N -4.47 0.74 -3.64 2.37 1.13 0.02 -4.07 117.38 109.47 3cxx n GLN 251 Ca 0.13 0.00 -0.28 0.00 -1.94 0.00 0.00 57.00 54.91 3cxx n GLN 251 Cb 0.16 -1.47 -0.11 0.00 0.11 0.00 0.00 30.24 28.93 3cxx n GLN 251 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3cxx s ARG 252 N -2.00 1.63 0.48 -1.09 0.52 0.33 -4.99 118.95 113.83 3cxx s ARG 252 Ca 0.33 -2.67 0.13 0.00 -0.52 0.00 0.00 55.73 53.01 3cxx s ARG 252 Cb 0.15 -2.37 1.12 0.00 0.52 0.00 0.00 34.95 34.37 3cxx s ARG 252 CO 0.26 -1.33 2.10 -1.35 0.02 0.00 0.00 175.30 174.99 3cxx h PRO 253 N 5.58 0.14 -0.29 3.54 0.11 -1.71 0.45 132.00 139.81 3cxx h PRO 253 Ca 0.20 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.28 3cxx h PRO 253 Cb 0.84 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.91 3cxx h PRO 253 CO 0.53 0.12 0.11 0.37 -0.21 0.00 0.00 178.00 178.93 3cxx h GLN 254 N 0.14 0.43 -0.32 1.05 4.15 -1.94 0.86 115.11 119.48 3cxx h GLN 254 Ca 0.04 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 3cxx h GLN 254 Cb 0.04 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 3cxx h GLN 254 CO -0.00 0.46 0.17 1.25 -1.93 0.00 0.00 178.83 178.77 3cxx h LEU 255 N 0.32 0.42 -0.74 -2.39 5.85 -1.72 -0.95 115.31 116.08 3cxx h LEU 255 Ca 0.10 -0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.75 3cxx h LEU 255 Cb 0.19 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.07 3cxx h LEU 255 CO -0.01 0.41 0.46 -0.09 -0.34 0.00 0.00 178.44 178.87 3cxx h ARG 256 N 0.40 0.86 -0.26 1.25 2.43 -0.63 -1.57 114.38 116.87 3cxx h ARG 256 Ca 0.11 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.14 3cxx h ARG 256 Cb 0.09 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 3cxx h ARG 256 CO -0.02 0.57 -0.20 -0.91 -1.51 0.00 0.00 179.97 177.91 3cxx h ASN 257 N 0.89 0.62 -0.28 -3.80 2.35 -0.65 -0.62 115.58 114.09 3cxx h ASN 257 Ca 0.31 -0.45 0.04 0.00 -0.55 0.00 0.00 56.30 55.65 3cxx h ASN 257 Cb 0.06 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.21 3cxx h ASN 257 CO -0.13 0.94 0.03 0.25 -1.65 0.00 0.00 177.43 176.87 3cxx h LEU 258 N 0.31 -0.05 -0.89 1.61 5.85 -0.98 0.26 115.31 121.42 3cxx h LEU 258 Ca 0.05 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.76 3cxx h LEU 258 Cb 0.74 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.83 3cxx h LEU 258 CO 0.05 0.01 0.11 -0.07 -0.34 0.00 0.00 178.44 178.20 3cxx h LEU 259 N 0.12 0.88 -0.67 2.25 3.38 -1.26 0.85 115.31 120.86 3cxx h LEU 259 Ca 0.13 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3cxx h LEU 259 Cb 0.16 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3cxx h LEU 259 CO -0.20 0.88 0.34 -0.74 0.09 0.00 0.00 178.44 178.80 3cxx h HIS 260 N 0.89 0.95 -0.01 1.13 2.76 -0.86 -2.66 115.15 117.35 3cxx h HIS 260 Ca 0.19 -0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.31 3cxx h HIS 260 Cb 0.37 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 29.03 3cxx h HIS 260 CO 0.02 0.70 -0.02 1.49 -1.30 0.00 0.00 177.93 178.82 3cxx h GLU 261 N 0.92 0.03 -2.69 5.26 4.22 0.01 -3.39 114.58 118.93 3cxx h GLU 261 Ca 0.23 -0.02 -0.63 0.00 0.08 0.00 0.00 59.36 59.02 3cxx h GLU 261 Cb 0.09 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 28.94 3cxx h GLU 261 CO -0.03 0.64 -0.46 1.63 -2.18 0.00 0.00 179.01 178.61 3cxx n LYS 262 N -4.77 2.38 0.00 1.92 5.02 0.29 -4.95 118.16 118.04 3cxx n LYS 262 Ca -0.09 -4.58 0.04 0.00 -2.02 0.00 0.00 58.31 51.66 3cxx n LYS 262 Cb 0.32 -2.30 0.19 0.00 -0.02 0.00 0.00 35.03 33.22 3cxx n LYS 262 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3cxx n PRO 263 N 1.45 0.10 0.19 1.97 -0.04 -1.00 -0.84 135.00 136.82 3cxx n PRO 263 Ca 0.25 0.23 0.13 0.00 -0.04 0.00 0.00 63.50 64.07 3cxx n PRO 263 Cb 0.38 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.62 3cxx n PRO 263 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 3cxx h GLU 264 N 0.00 0.00 0.00 0.54 9.09 -1.93 -2.70 114.58 119.58 3cxx h GLU 264 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3cxx h GLU 264 Cb 0.08 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.18 3cxx h GLU 264 CO 0.00 0.00 0.00 1.28 0.05 0.00 0.00 179.01 180.34 3cxx n LEU 265 N -2.82 0.00 -0.15 3.06 4.77 -0.02 -4.19 117.00 117.64 3cxx n LEU 265 Ca 0.04 0.14 -0.09 0.00 -0.03 0.00 0.00 56.01 56.07 3cxx n LEU 265 Cb 0.48 -0.14 -0.01 0.00 -2.33 0.00 0.00 43.42 41.43 3cxx n LEU 265 CO 0.32 -0.01 0.88 0.40 -1.33 0.00 0.00 177.39 177.65 3cxx h ILE 266 N 0.00 1.23 -0.78 -0.08 2.04 -1.65 0.22 117.51 118.49 3cxx h ILE 266 Ca 0.00 -0.77 0.08 0.00 1.00 0.00 0.00 64.86 65.18 3cxx h ILE 266 Cb 0.13 0.92 -0.07 0.00 -0.74 0.00 0.00 36.82 37.06 3cxx h ILE 266 CO 0.00 0.27 0.44 -0.65 0.00 0.00 0.00 178.15 178.21 3cxx h PRO 267 N 0.55 0.74 -0.61 2.37 0.11 -1.81 0.33 132.00 133.69 3cxx h PRO 267 Ca 0.13 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.17 3cxx h PRO 267 Cb 0.29 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 31.21 3cxx h PRO 267 CO -0.00 0.49 0.26 0.00 -0.21 0.00 0.00 178.00 178.54 3cxx h ALA 268 N 1.42 0.78 -0.50 -0.75 0.00 -1.71 -2.03 119.26 116.47 3cxx h ALA 268 Ca 0.37 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.13 3cxx h ALA 268 Cb 0.31 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 3cxx h ALA 268 CO -0.23 0.38 0.33 0.78 0.00 0.00 0.00 179.25 180.51 3cxx h GLY 269 N 0.84 0.71 1.52 0.00 0.00 -0.19 -2.36 103.07 103.59 3cxx h GLY 269 Ca 0.20 -0.26 -0.06 0.00 0.00 0.00 0.00 47.33 47.22 3cxx h GLY 269 CO -0.02 0.25 -0.02 -2.08 0.00 0.00 0.00 176.54 174.67 3cxx h VAL 270 N 0.67 1.22 -0.69 4.60 2.07 -0.24 0.49 116.25 124.36 3cxx h VAL 270 Ca 0.19 -0.88 -0.07 0.00 0.82 0.00 0.00 66.70 66.75 3cxx h VAL 270 Cb -0.06 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 3cxx h VAL 270 CO -0.05 0.30 0.14 -0.08 0.02 0.00 0.00 177.57 177.90 3cxx h GLU 271 N 0.56 1.13 -0.38 1.57 4.57 -1.15 0.21 114.58 121.09 3cxx h GLU 271 Ca 0.11 -0.29 -0.14 0.00 -1.18 0.00 0.00 59.36 57.87 3cxx h GLU 271 Cb 0.39 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 3cxx h GLU 271 CO 0.02 1.01 -0.30 0.93 -1.18 0.00 0.00 179.01 179.48 3cxx h GLU 272 N 1.06 0.87 -0.82 1.92 4.39 -0.96 -1.74 114.58 119.30 3cxx h GLU 272 Ca 0.21 -0.43 -0.01 0.00 0.34 0.00 0.00 59.36 59.47 3cxx h GLU 272 Cb 0.41 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.02 3cxx h GLU 272 CO 0.01 1.08 0.47 -0.07 -1.16 0.00 0.00 179.01 179.33 3cxx h LEU 273 N 0.68 1.01 -0.43 1.33 3.38 -0.52 -0.81 115.31 119.94 3cxx h LEU 273 Ca 0.07 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 58.01 3cxx h LEU 273 Cb 0.88 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 3cxx h LEU 273 CO 0.08 0.80 0.17 -0.07 0.09 0.00 0.00 178.44 179.51 3cxx h LEU 274 N 1.14 0.21 -0.68 1.67 3.38 -0.53 -1.92 115.31 118.58 3cxx h LEU 274 Ca 0.29 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.28 3cxx h LEU 274 Cb -0.00 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 3cxx h LEU 274 CO -0.05 0.16 0.34 -0.09 0.09 0.00 0.00 178.44 178.89 3cxx h ARG 275 N 0.36 0.97 -0.18 1.13 2.43 -0.34 -2.18 114.38 116.56 3cxx h ARG 275 Ca 0.20 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3cxx h ARG 275 Cb 0.16 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 3cxx h ARG 275 CO -0.18 0.75 0.00 0.44 -1.51 0.00 0.00 179.97 179.47 3cxx n ILE 276 N -4.47 0.22 -2.29 1.20 -5.35 -0.41 -4.76 119.36 103.50 3cxx n ILE 276 Ca 0.05 -0.36 -0.41 0.00 -0.27 0.00 0.00 62.75 61.76 3cxx n ILE 276 Cb 0.12 0.38 -0.03 0.00 -1.74 0.00 0.00 39.64 38.36 3cxx n ILE 276 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3cxx s ASN 277 N -1.55 6.98 -0.23 7.28 2.20 -0.73 -4.92 114.94 123.98 3cxx s ASN 277 Ca 0.32 2.32 0.14 0.00 -0.94 0.00 0.00 52.86 54.70 3cxx s ASN 277 Cb 0.17 -2.61 0.70 0.00 -2.00 0.00 0.00 41.25 37.52 3cxx s ASN 277 CO 0.26 -0.46 1.64 0.18 -2.94 0.00 0.00 177.10 175.78 3cxx n LEU 278 N 2.62 5.09 -0.26 3.54 4.77 -1.26 -4.75 117.00 126.75 3cxx n LEU 278 Ca 0.05 -3.02 -0.01 0.00 -0.03 0.00 0.00 56.01 53.00 3cxx n LEU 278 Cb 0.44 -0.64 0.10 0.00 -2.33 0.00 0.00 43.42 40.99 3cxx n LEU 278 CO 0.57 0.68 1.14 0.77 -1.33 0.00 0.00 177.39 179.22 3cxx h SER 279 N 2.99 0.69 -2.86 -1.43 4.64 -1.88 -3.40 113.55 112.30 3cxx h SER 279 Ca 0.04 0.02 -0.56 0.00 -0.47 0.00 0.00 61.79 60.81 3cxx h SER 279 Cb 1.83 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 63.76 3cxx h SER 279 CO 0.43 0.45 1.00 -0.36 -0.87 0.00 0.00 176.83 177.48 3cxx s PHE 280 N -6.09 2.47 -0.26 4.77 0.40 -1.26 -0.01 117.98 118.00 3cxx s PHE 280 Ca -0.13 0.71 0.25 0.00 -0.60 0.00 0.00 56.93 57.16 3cxx s PHE 280 Cb 0.17 -3.77 0.56 0.00 0.51 0.00 0.00 43.02 40.49 3cxx s PHE 280 CO 0.77 -2.43 1.69 0.00 0.70 0.00 0.00 175.22 175.95 3cxx h ALA 281 N 9.22 0.97 -2.80 5.36 0.00 -1.55 -3.45 119.26 127.02 3cxx h ALA 281 Ca -0.31 -0.06 -0.28 0.00 0.00 0.00 0.00 54.91 54.27 3cxx h ALA 281 Cb 1.13 -0.01 -0.18 0.00 0.00 0.00 0.00 17.79 18.72 3cxx h ALA 281 CO 0.98 0.08 -0.73 -0.51 0.00 0.00 0.00 179.25 179.08 3cxx s ASP 282 N -6.12 1.14 0.68 0.00 1.01 -1.26 -4.78 116.67 107.33 3cxx s ASP 282 Ca 0.05 -0.75 -0.17 0.00 0.71 0.00 0.00 52.55 52.39 3cxx s ASP 282 Cb 0.06 0.04 -0.02 0.00 1.01 0.00 0.00 42.92 44.01 3cxx s ASP 282 CO 0.65 -0.29 0.86 0.61 0.21 0.00 0.00 175.17 177.21 3cxx n GLY 283 N 0.79 -0.66 3.66 0.21 0.00 -1.26 -4.81 105.19 103.12 3cxx n GLY 283 Ca -0.18 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.14 3cxx n GLY 283 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cxx s LEU 284 N -2.05 4.20 0.27 0.99 1.43 -0.16 -4.61 118.68 118.75 3cxx s LEU 284 Ca 0.73 1.81 -0.29 0.00 -1.03 0.00 0.00 54.13 55.36 3cxx s LEU 284 Cb -0.37 -3.54 -0.09 0.00 0.03 0.00 0.00 46.19 42.22 3cxx s LEU 284 CO 0.50 -0.84 0.94 -2.16 0.23 0.00 0.00 176.35 175.03 3cxx s PRO 285 N 3.72 4.77 -0.04 1.29 0.04 -1.26 -1.62 135.00 141.90 3cxx s PRO 285 Ca 0.60 1.44 -0.10 0.00 0.04 0.00 0.00 61.00 62.98 3cxx s PRO 285 Cb -0.25 -3.12 0.01 0.00 0.04 0.00 0.00 34.50 31.19 3cxx s PRO 285 CO 0.19 0.44 0.22 1.03 0.04 0.00 0.00 177.00 178.92 3cxx s ARG 286 N -1.47 0.46 -0.14 4.56 1.81 -0.15 -4.64 118.95 119.37 3cxx s ARG 286 Ca 0.44 -0.08 -0.00 0.00 -1.72 0.00 0.00 55.73 54.37 3cxx s ARG 286 Cb -0.24 0.20 -0.01 0.00 -0.45 0.00 0.00 34.95 34.46 3cxx s ARG 286 CO 0.29 -0.10 -0.13 -1.17 -0.68 0.00 0.00 175.30 173.51 3cxx s LEU 287 N -0.81 2.69 0.13 2.53 2.96 -0.34 -0.38 118.68 125.46 3cxx s LEU 287 Ca -0.09 -0.36 -0.31 0.00 -0.22 0.00 0.00 54.13 53.14 3cxx s LEU 287 Cb -0.05 -1.62 -0.09 0.00 0.50 0.00 0.00 46.19 44.93 3cxx s LEU 287 CO 0.02 0.13 1.54 0.00 -1.32 0.00 0.00 176.35 176.72 3cxx s ALA 288 N 0.57 3.72 -2.30 5.97 0.00 -0.13 -0.76 121.76 128.84 3cxx s ALA 288 Ca -0.08 1.28 0.20 0.00 0.00 0.00 0.00 51.96 53.37 3cxx s ALA 288 Cb -0.16 -3.62 0.29 0.00 0.00 0.00 0.00 23.12 19.64 3cxx s ALA 288 CO 0.03 -0.81 1.25 0.25 0.00 0.00 0.00 175.76 176.49 3cxx n THR 289 N 4.12 0.32 -3.96 0.00 -2.24 0.66 -0.35 114.28 112.82 3cxx n THR 289 Ca 0.14 -0.66 -0.09 0.00 -2.27 0.00 0.00 64.05 61.17 3cxx n THR 289 Cb 0.40 1.13 -0.04 0.00 -2.10 0.00 0.00 70.33 69.72 3cxx n THR 289 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3cxx s ALA 290 N -1.48 -0.40 -0.15 6.98 0.00 -1.26 -4.90 121.76 120.54 3cxx s ALA 290 Ca 0.30 -0.80 -0.26 0.00 0.00 0.00 0.00 51.96 51.20 3cxx s ALA 290 Cb 0.19 1.00 -0.02 0.00 0.00 0.00 0.00 23.12 24.29 3cxx s ALA 290 CO 0.27 -0.90 0.84 -0.51 0.00 0.00 0.00 175.76 175.45 3cxx s ASP 291 N -3.02 6.99 -0.03 0.00 1.11 -1.26 -2.86 116.67 117.60 3cxx s ASP 291 Ca 0.20 1.21 -0.00 0.00 0.18 0.00 0.00 52.55 54.14 3cxx s ASP 291 Cb -0.02 -2.46 0.03 0.00 1.07 0.00 0.00 42.92 41.54 3cxx s ASP 291 CO 0.10 -0.37 0.02 -0.63 1.18 0.00 0.00 175.17 175.47 3cxx s ILE 292 N 1.98 0.04 -0.10 0.77 1.01 0.55 -4.96 121.20 120.50 3cxx s ILE 292 Ca 0.39 0.20 -0.30 0.00 0.00 0.00 0.00 60.65 60.95 3cxx s ILE 292 Cb -0.17 -0.18 -0.02 0.00 0.01 0.00 0.00 42.46 42.10 3cxx s ILE 292 CO 0.14 0.13 1.17 -1.58 0.00 0.00 0.00 174.94 174.80 3cxx s GLN 293 N 1.27 4.33 -0.25 2.79 2.00 -1.26 -0.77 119.66 127.76 3cxx s GLN 293 Ca -0.06 1.61 -0.01 0.00 -2.00 0.00 0.00 55.36 54.90 3cxx s GLN 293 Cb -0.13 -3.61 0.08 0.00 0.80 0.00 0.00 33.01 30.15 3cxx s GLN 293 CO -0.03 -0.50 0.03 0.08 -0.50 0.00 0.00 175.29 174.38 3cxx s VAL 294 N 2.53 1.03 0.00 1.34 1.01 0.83 -4.95 120.40 122.20 3cxx s VAL 294 Ca 0.54 -1.14 0.00 0.00 0.00 0.00 0.00 61.98 61.37 3cxx s VAL 294 Cb -0.22 -1.57 0.00 0.00 0.00 0.00 0.00 36.38 34.59 3cxx s VAL 294 CO 0.19 -0.37 0.00 0.61 0.00 0.00 0.00 175.10 175.53 3cxx n GLY 295 N 4.83 3.19 0.03 4.51 0.00 -1.26 -1.46 105.19 115.02 3cxx n GLY 295 Ca -0.07 -0.20 0.07 0.00 0.00 0.00 0.00 46.02 45.83 3cxx n GLY 295 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3cxx n ASP 296 N 2.83 0.08 -4.38 1.61 8.00 -1.26 -4.83 116.55 118.60 3cxx n ASP 296 Ca 0.00 -1.56 -0.33 0.00 0.71 0.00 0.00 54.79 53.62 3cxx n ASP 296 Cb 0.00 -0.01 -0.14 0.00 -0.02 0.00 0.00 41.12 40.95 3cxx n ASP 296 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3cxx s VAL 297 N -1.99 3.10 -0.63 2.53 1.01 -0.54 -5.06 120.40 118.83 3cxx s VAL 297 Ca 0.22 -0.65 -0.23 0.00 0.00 0.00 0.00 61.98 61.33 3cxx s VAL 297 Cb 0.10 -2.30 0.06 0.00 0.00 0.00 0.00 36.38 34.25 3cxx s VAL 297 CO 0.17 0.53 0.94 -0.22 0.00 0.00 0.00 175.10 176.52 3cxx s LEU 298 N 0.28 4.36 0.07 3.92 2.96 -1.26 -0.12 118.68 128.89 3cxx s LEU 298 Ca -0.09 -0.87 -0.31 0.00 -0.22 0.00 0.00 54.13 52.64 3cxx s LEU 298 Cb -0.16 -2.50 -0.06 0.00 0.50 0.00 0.00 46.19 43.98 3cxx s LEU 298 CO 0.05 -1.37 1.25 -0.69 -1.32 0.00 0.00 176.35 174.27 3cxx s VAL 299 N 3.96 3.87 0.17 1.68 1.01 0.05 -4.87 120.40 126.26 3cxx s VAL 299 Ca 0.23 1.33 -0.07 0.00 0.00 0.00 0.00 61.98 63.47 3cxx s VAL 299 Cb -0.16 -3.85 -0.06 0.00 0.00 0.00 0.00 36.38 32.30 3cxx s VAL 299 CO 0.12 0.10 0.45 -0.13 0.00 0.00 0.00 175.10 175.63 3cxx s ARG 300 N 1.16 3.71 0.26 2.72 1.81 -1.26 -0.33 118.95 127.02 3cxx s ARG 300 Ca 0.60 0.09 -0.30 0.00 -1.72 0.00 0.00 55.73 54.40 3cxx s ARG 300 Cb -0.31 -2.79 -0.14 0.00 -0.45 0.00 0.00 34.95 31.26 3cxx s ARG 300 CO 0.29 0.42 1.29 1.17 -0.68 0.00 0.00 175.30 177.79 3cxx n LYS 301 N 0.12 1.82 -0.25 3.54 4.81 -1.14 -2.08 118.16 124.99 3cxx n LYS 301 Ca -0.02 0.65 0.00 0.00 -0.87 0.00 0.00 58.31 58.07 3cxx n LYS 301 Cb 0.52 -2.22 0.00 0.00 0.02 0.00 0.00 35.03 33.35 3cxx n LYS 301 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3cxx n GLY 302 N 1.73 1.05 3.86 3.14 0.00 0.53 -4.96 105.19 110.53 3cxx n GLY 302 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 3cxx n GLY 302 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cxx s GLU 303 N -0.53 3.93 0.03 1.61 2.02 -0.88 -4.53 118.70 120.35 3cxx s GLU 303 Ca 0.00 0.48 -0.19 0.00 0.02 0.00 0.00 54.97 55.28 3cxx s GLU 303 Cb 0.00 -2.65 -0.06 0.00 0.10 0.00 0.00 34.13 31.52 3cxx s GLU 303 CO 0.00 0.30 0.56 -1.17 0.02 0.00 0.00 175.26 174.98 3cxx s LEU 304 N -2.64 4.48 -0.01 1.80 2.96 -1.26 -0.95 118.68 123.05 3cxx s LEU 304 Ca 0.47 1.19 0.06 0.00 -0.22 0.00 0.00 54.13 55.63 3cxx s LEU 304 Cb -0.12 -2.87 -0.02 0.00 0.50 0.00 0.00 46.19 43.68 3cxx s LEU 304 CO 0.20 0.21 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.55 3cxx s VAL 305 N -0.73 1.53 -0.13 1.68 1.01 0.49 -1.05 120.40 123.20 3cxx s VAL 305 Ca 0.29 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.43 3cxx s VAL 305 Cb -0.19 -1.27 0.02 0.00 0.00 0.00 0.00 36.38 34.94 3cxx s VAL 305 CO 0.18 0.41 -0.16 -0.76 0.00 0.00 0.00 175.10 174.76 3cxx s LEU 306 N -0.52 1.79 -0.49 3.92 1.43 0.09 -0.98 118.68 123.92 3cxx s LEU 306 Ca 0.07 -0.48 -0.16 0.00 -1.03 0.00 0.00 54.13 52.53 3cxx s LEU 306 Cb -0.08 -1.19 0.08 0.00 0.03 0.00 0.00 46.19 45.04 3cxx s LEU 306 CO -0.01 0.01 0.45 -0.69 0.23 0.00 0.00 176.35 176.35 3cxx s VAL 307 N 1.10 5.18 -0.51 -1.59 1.01 -0.64 -0.23 120.40 124.72 3cxx s VAL 307 Ca -0.03 -1.09 -0.27 0.00 0.00 0.00 0.00 61.98 60.58 3cxx s VAL 307 Cb -0.14 -4.20 0.03 0.00 0.00 0.00 0.00 36.38 32.06 3cxx s VAL 307 CO -0.04 -0.68 1.08 -0.22 0.00 0.00 0.00 175.10 175.23 3cxx s LEU 308 N 1.78 3.72 0.19 3.92 2.96 -0.35 -0.99 118.68 129.90 3cxx s LEU 308 Ca 0.05 0.21 -0.12 0.00 -0.22 0.00 0.00 54.13 54.06 3cxx s LEU 308 Cb -0.25 -3.30 0.10 0.00 0.50 0.00 0.00 46.19 43.24 3cxx s LEU 308 CO 0.06 -1.26 1.81 -0.07 -1.32 0.00 0.00 176.35 175.57 3cxx h LEU 309 N 11.21 0.79 -1.26 -0.68 3.38 -1.87 -1.16 115.31 125.73 3cxx h LEU 309 Ca -0.24 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.65 3cxx h LEU 309 Cb 1.06 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 3cxx h LEU 309 CO 1.11 0.64 -0.01 1.05 0.09 0.00 0.00 178.44 181.33 3cxx h GLU 310 N 0.87 0.00 0.15 1.13 9.09 -1.91 -0.34 114.58 123.58 3cxx h GLU 310 Ca 0.23 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.64 3cxx h GLU 310 Cb 0.02 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.11 3cxx h GLU 310 CO -0.04 0.01 -0.11 0.78 0.05 0.00 0.00 179.01 179.69 3cxx h GLY 311 N 2.31 -0.27 0.84 1.06 0.00 -1.43 -1.49 103.07 104.10 3cxx h GLY 311 Ca -0.00 0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.44 3cxx h GLY 311 CO 0.00 -0.12 0.04 0.00 0.00 0.00 0.00 176.54 176.47 3cxx h ALA 312 N 0.56 0.23 0.00 3.60 0.00 -1.12 -3.10 119.26 119.43 3cxx h ALA 312 Ca -0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3cxx h ALA 312 Cb 0.24 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3cxx h ALA 312 CO -0.00 -0.13 -0.06 -0.91 0.00 0.00 0.00 179.25 178.15 3cxx h ASN 313 N 0.10 0.00 -0.46 0.00 2.35 -1.01 -2.56 115.58 114.00 3cxx h ASN 313 Ca 0.06 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3cxx h ASN 313 Cb 0.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.63 3cxx h ASN 313 CO 0.00 0.06 0.00 0.49 -1.65 0.00 0.00 177.43 176.33 3cxx n PHE 314 N -3.14 0.93 -2.30 1.19 3.01 -0.57 -4.84 117.46 111.74 3cxx n PHE 314 Ca 0.02 -0.61 -0.43 0.00 1.01 0.00 0.00 57.45 57.44 3cxx n PHE 314 Cb 0.43 -0.15 -0.02 0.00 -0.01 0.00 0.00 39.48 39.73 3cxx n PHE 314 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3cxx s ASP 315 N -1.17 6.72 0.53 4.37 -1.08 -0.96 -4.72 116.67 120.37 3cxx s ASP 315 Ca 0.38 1.64 0.33 0.00 -0.52 0.00 0.00 52.55 54.38 3cxx s ASP 315 Cb 0.24 -2.54 1.28 0.00 -1.46 0.00 0.00 42.92 40.45 3cxx s ASP 315 CO 0.19 -0.96 1.95 1.55 0.52 0.00 0.00 175.17 178.41 3cxx h PRO 316 N 9.18 0.00 0.00 4.34 0.13 -1.91 -0.13 132.00 143.61 3cxx h PRO 316 Ca -0.30 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.78 3cxx h PRO 316 Cb 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 3cxx h PRO 316 CO 0.99 0.00 -0.25 0.93 -0.23 0.00 0.00 178.00 179.44 3cxx h GLU 317 N 0.00 0.00 0.00 0.86 3.07 -1.97 -3.17 114.58 113.37 3cxx h GLU 317 Ca 0.00 0.00 -0.32 0.00 -0.50 0.00 0.00 59.36 58.54 3cxx h GLU 317 Cb 0.54 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.39 3cxx h GLU 317 CO 0.00 0.25 -2.19 1.58 -1.40 0.00 0.00 179.01 177.25 3cxx n HIS 318 N -3.98 0.00 -3.71 4.33 -0.00 -0.95 -4.84 115.22 106.07 3cxx n HIS 318 Ca -0.02 0.00 -0.29 0.00 -0.00 0.00 0.00 57.72 57.41 3cxx n HIS 318 Cb 0.33 -0.83 -0.12 0.00 -0.00 0.00 0.00 29.99 29.36 3cxx n HIS 318 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 3cxx s PHE 319 N -2.42 2.18 0.57 1.57 2.99 -0.10 -5.01 117.98 117.75 3cxx s PHE 319 Ca -0.19 -2.60 -0.21 0.00 0.00 0.00 0.00 56.93 53.93 3cxx s PHE 319 Cb 0.06 -1.93 -0.04 0.00 0.00 0.00 0.00 43.02 41.11 3cxx s PHE 319 CO 0.59 -0.75 1.33 -2.30 -0.00 0.00 0.00 175.22 174.09 3cxx n PRO 320 N 3.16 1.55 -3.62 0.24 -0.02 -1.20 -2.49 135.00 132.62 3cxx n PRO 320 Ca 0.13 0.58 -0.28 0.00 -2.02 0.00 0.00 63.50 61.91 3cxx n PRO 320 Cb 0.36 -2.54 0.04 0.00 -0.02 0.00 0.00 33.50 31.34 3cxx n PRO 320 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3cxx n ASN 321 N -1.13 -5.57 0.20 2.55 5.15 -1.26 -4.87 115.26 110.32 3cxx n ASN 321 Ca 0.12 -0.93 0.07 0.00 -0.60 0.00 0.00 54.58 53.23 3cxx n ASN 321 Cb 0.45 -3.50 0.57 0.00 -0.53 0.00 0.00 39.78 36.77 3cxx n ASN 321 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3cxx h PRO 322 N -1.57 0.11 0.00 1.20 0.13 -1.77 -2.15 132.00 127.95 3cxx h PRO 322 Ca -0.61 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 3cxx h PRO 322 Cb 1.33 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.44 3cxx h PRO 322 CO 0.46 0.11 0.00 0.41 -0.23 0.00 0.00 178.00 178.75 3cxx n GLY 323 N -1.42 -1.49 3.76 1.56 0.00 -1.26 -4.79 105.19 101.55 3cxx n GLY 323 Ca -0.02 -0.01 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 3cxx n GLY 323 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3cxx s SER 324 N -4.04 6.79 -0.30 1.61 0.01 -0.81 -5.05 113.70 111.90 3cxx s SER 324 Ca 0.09 0.94 -0.29 0.00 1.31 0.00 0.00 55.95 58.00 3cxx s SER 324 Cb 0.12 -2.29 0.01 0.00 0.21 0.00 0.00 66.02 64.07 3cxx s SER 324 CO 0.50 0.12 1.24 -0.63 0.41 0.00 0.00 173.24 174.88 3cxx s ILE 325 N -0.08 4.25 -0.14 1.44 1.01 -1.26 -5.01 121.20 121.40 3cxx s ILE 325 Ca 0.26 1.42 -0.00 0.00 0.00 0.00 0.00 60.65 62.33 3cxx s ILE 325 Cb -0.16 -4.23 0.03 0.00 0.01 0.00 0.00 42.46 38.11 3cxx s ILE 325 CO 0.13 -0.47 -0.09 -1.61 0.00 0.00 0.00 174.94 172.89 3cxx s GLU 326 N 4.00 1.78 0.00 2.79 2.02 -1.26 -5.02 118.70 123.01 3cxx s GLU 326 Ca 0.53 -0.46 0.25 0.00 0.02 0.00 0.00 54.97 55.30 3cxx s GLU 326 Cb -0.16 -1.92 1.41 0.00 0.10 0.00 0.00 34.13 33.57 3cxx s GLU 326 CO 0.21 -0.31 1.92 1.28 0.02 0.00 0.00 175.26 178.37 3cxx n LEU 327 N 4.85 0.14 -1.72 1.80 4.77 -1.26 -3.67 117.00 121.92 3cxx n LEU 327 Ca -0.14 -0.06 -0.01 0.00 -0.03 0.00 0.00 56.01 55.78 3cxx n LEU 327 Cb 0.49 -0.01 0.07 0.00 -2.33 0.00 0.00 43.42 41.65 3cxx n LEU 327 CO 0.18 0.03 0.13 -0.90 -1.33 0.00 0.00 177.39 175.50 3cxx n ASP 328 N -0.78 1.96 -4.76 -1.43 3.85 -1.26 -4.92 116.55 109.20 3cxx n ASP 328 Ca 0.18 -2.73 -0.36 0.00 -0.71 0.00 0.00 54.79 51.17 3cxx n ASP 328 Cb 0.11 -0.41 0.01 0.00 -1.35 0.00 0.00 41.12 39.49 3cxx n ASP 328 CO 0.00 0.00 0.00 -0.13 -1.01 0.00 0.00 177.20 176.06 3cxx s ARG 329 N -2.30 3.34 0.41 0.11 0.52 -1.24 -4.93 118.95 114.86 3cxx s ARG 329 Ca 0.36 1.80 0.28 0.00 -0.52 0.00 0.00 55.73 57.65 3cxx s ARG 329 Cb 0.37 -2.14 0.97 0.00 0.52 0.00 0.00 34.95 34.67 3cxx s ARG 329 CO -0.08 -0.90 1.81 -1.00 0.02 0.00 0.00 175.30 175.15 3cxx h PRO 330 N 1.41 0.00 -1.46 3.54 0.13 -1.98 -3.34 132.00 130.30 3cxx h PRO 330 Ca -0.50 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.12 3cxx h PRO 330 Cb 1.27 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.99 3cxx h PRO 330 CO 0.57 0.00 -0.89 0.27 -0.23 0.00 0.00 178.00 177.72 3cxx n ASN 331 N -2.77 3.46 -0.04 1.44 2.04 -1.26 -4.98 115.26 113.15 3cxx n ASN 331 Ca 0.02 -3.37 -0.04 0.00 -0.44 0.00 0.00 54.58 50.76 3cxx n ASN 331 Cb 0.36 -0.50 0.19 0.00 -2.53 0.00 0.00 39.78 37.30 3cxx n ASN 331 CO 0.00 0.00 0.00 1.55 -0.44 0.00 0.00 177.26 178.37 3cxx h PRO 332 N 2.77 0.63 -0.51 -0.53 0.13 -1.98 -2.83 132.00 129.68 3cxx h PRO 332 Ca 0.15 -0.20 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 3cxx h PRO 332 Cb 0.96 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.03 3cxx h PRO 332 CO 0.72 0.74 0.00 0.25 -0.23 0.00 0.00 178.00 179.48 3cxx n THR 333 N -4.18 0.67 1.54 1.56 -2.24 -1.26 -4.42 114.28 105.95 3cxx n THR 333 Ca 0.01 -0.75 0.02 0.00 -2.27 0.00 0.00 64.05 61.06 3cxx n THR 333 Cb 0.35 0.56 0.07 0.00 -2.10 0.00 0.00 70.33 69.20 3cxx n THR 333 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3cxx n SER 334 N 1.24 0.77 -4.74 3.42 3.41 -1.07 -4.86 113.62 111.80 3cxx n SER 334 Ca 0.20 -1.99 -0.29 0.00 -0.26 0.00 0.00 58.87 56.52 3cxx n SER 334 Cb 0.52 -0.10 0.14 0.00 -0.26 0.00 0.00 64.21 64.52 3cxx n SER 334 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 3cxx s HIS 335 N -1.81 2.38 -0.23 7.33 -3.43 -1.26 -5.00 115.29 113.27 3cxx s HIS 335 Ca 0.10 1.00 0.14 0.00 -0.80 0.00 0.00 55.06 55.49 3cxx s HIS 335 Cb 0.05 -3.28 0.61 0.00 -1.43 0.00 0.00 32.58 28.54 3cxx s HIS 335 CO 0.07 -2.48 1.55 1.28 -2.00 0.00 0.00 174.74 173.16 3cxx n LEU 336 N -3.88 4.63 0.17 5.38 4.77 -1.26 -4.69 117.00 122.11 3cxx n LEU 336 Ca 0.06 -3.16 0.17 0.00 -0.03 0.00 0.00 56.01 53.05 3cxx n LEU 336 Cb 0.58 -0.62 0.77 0.00 -2.33 0.00 0.00 43.42 41.82 3cxx n LEU 336 CO 0.57 0.78 1.15 0.00 -1.33 0.00 0.00 177.39 178.55 3cxx h ALA 337 N 2.16 1.98 -0.29 -1.18 0.00 -1.91 0.45 119.26 120.48 3cxx h ALA 337 Ca 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3cxx h ALA 337 Cb 1.74 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.54 3cxx h ALA 337 CO 0.39 -0.34 0.00 0.72 0.00 0.00 0.00 179.25 180.02 3cxx n HIS 338 N -4.01 0.86 -4.24 0.00 8.25 -1.26 -5.05 115.22 109.77 3cxx n HIS 338 Ca 0.03 -0.79 0.00 0.00 -0.26 0.00 0.00 57.72 56.70 3cxx n HIS 338 Cb 0.36 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.22 3cxx n HIS 338 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3cxx n GLY 339 N -0.25 -0.55 3.59 -1.41 0.00 0.15 -0.52 105.19 106.19 3cxx n GLY 339 Ca 0.19 -1.11 -0.10 0.00 0.00 0.00 0.00 46.02 45.01 3cxx n GLY 339 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3cxx s ARG 340 N 0.00 0.53 2.27 1.61 6.06 -1.26 -4.67 118.95 123.49 3cxx s ARG 340 Ca 0.00 0.18 0.00 0.00 -2.50 0.00 0.00 55.73 53.41 3cxx s ARG 340 Cb 0.00 0.25 0.00 0.00 0.06 0.00 0.00 34.95 35.26 3cxx s ARG 340 CO 0.00 -0.15 0.00 0.41 -2.50 0.00 0.00 175.30 173.06 3cxx n GLY 341 N 0.89 0.00 0.37 8.12 0.00 -1.26 -3.97 105.19 109.34 3cxx n GLY 341 Ca -0.10 -1.28 0.09 0.00 0.00 0.00 0.00 46.02 44.73 3cxx n GLY 341 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3cxx h GLN 342 N 0.00 0.79 -0.48 1.61 5.75 -1.93 -2.38 115.11 118.47 3cxx h GLN 342 Ca 0.00 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 3cxx h GLN 342 Cb 0.00 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 28.37 3cxx h GLN 342 CO 0.00 0.52 0.00 0.72 -2.65 0.00 0.00 178.83 177.42 3cxx n HIS 343 N -4.54 1.30 -1.38 3.99 8.25 -1.26 -5.00 115.22 116.58 3cxx n HIS 343 Ca 0.16 -0.69 -0.54 0.00 -0.26 0.00 0.00 57.72 56.39 3cxx n HIS 343 Cb 0.36 -0.28 -0.07 0.00 1.12 0.00 0.00 29.99 31.11 3cxx n HIS 343 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3cxx n PHE 344 N 0.47 0.50 -1.70 4.41 7.35 -0.90 -4.75 117.46 122.84 3cxx n PHE 344 Ca 0.23 0.97 -0.56 0.00 -0.76 0.00 0.00 57.45 57.33 3cxx n PHE 344 Cb 0.88 -1.92 -0.07 0.00 0.35 0.00 0.00 39.48 38.72 3cxx n PHE 344 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3cxx n PRO 346 N 5.71 0.21 -0.77 0.00 -0.04 -1.26 -3.30 135.00 135.54 3cxx n PRO 346 Ca 0.26 0.38 0.08 0.00 -0.04 0.00 0.00 63.50 64.17 3cxx n PRO 346 Cb 0.16 -1.85 0.37 0.00 -0.04 0.00 0.00 33.50 32.13 3cxx n PRO 346 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3cxx n GLY 347 N 0.28 3.24 0.30 0.55 0.00 -1.26 -4.71 105.19 103.59 3cxx n GLY 347 Ca 0.03 -0.95 -0.04 0.00 0.00 0.00 0.00 46.02 45.06 3cxx n GLY 347 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3cxx h SER 348 N 3.47 0.89 -0.52 1.61 4.64 -1.91 0.54 113.55 122.28 3cxx h SER 348 Ca 0.00 -0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 61.20 3cxx h SER 348 Cb 1.82 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 63.67 3cxx h SER 348 CO 0.41 0.65 -0.02 0.00 -0.87 0.00 0.00 176.83 177.00 3cxx h ALA 349 N 1.28 0.70 -0.64 5.18 0.00 -1.89 -0.95 119.26 122.94 3cxx h ALA 349 Ca 0.28 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3cxx h ALA 349 Cb -0.11 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 3cxx h ALA 349 CO -0.06 0.53 0.10 1.25 0.00 0.00 0.00 179.25 181.08 3cxx h LEU 350 N 0.79 1.00 -0.25 0.00 5.85 -1.59 -1.33 115.31 119.80 3cxx h LEU 350 Ca 0.14 -0.23 -0.07 0.00 0.84 0.00 0.00 57.88 58.56 3cxx h LEU 350 Cb 0.56 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 3cxx h LEU 350 CO 0.03 1.00 -0.11 1.23 -0.34 0.00 0.00 178.44 180.25 3cxx h GLY 351 N 1.04 0.56 0.57 3.75 0.00 -0.80 -0.60 103.07 107.59 3cxx h GLY 351 Ca 0.20 -0.50 0.07 0.00 0.00 0.00 0.00 47.33 47.10 3cxx h GLY 351 CO 0.01 0.45 0.29 -0.09 0.00 0.00 0.00 176.54 177.20 3cxx h ARG 352 N 0.24 0.51 -0.15 4.80 2.43 -1.09 -2.10 114.38 119.03 3cxx h ARG 352 Ca 0.06 -0.03 -0.18 0.00 -0.81 0.00 0.00 59.98 59.01 3cxx h ARG 352 Cb 0.61 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 30.05 3cxx h ARG 352 CO 0.03 0.34 -0.66 -0.09 -1.51 0.00 0.00 179.97 178.08 3cxx h ARG 353 N 0.53 0.58 -0.55 0.20 9.65 -1.14 -1.22 114.38 122.43 3cxx h ARG 353 Ca 0.29 -0.42 0.06 0.00 -1.10 0.00 0.00 59.98 58.80 3cxx h ARG 353 Cb 0.26 0.07 -0.05 0.00 -1.39 0.00 0.00 29.97 28.86 3cxx h ARG 353 CO -0.22 1.04 0.26 1.25 2.80 0.00 0.00 179.97 185.10 3cxx h HIS 354 N 0.42 0.48 -0.06 2.20 -0.00 -0.88 -1.02 115.15 116.28 3cxx h HIS 354 Ca -0.02 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.36 3cxx h HIS 354 Cb 1.24 -0.13 -0.00 0.00 -0.00 0.00 0.00 27.41 28.52 3cxx h HIS 354 CO 0.06 0.21 -0.03 0.00 -0.00 0.00 0.00 177.93 178.16 3cxx h ALA 355 N 1.32 0.08 -0.23 5.26 0.00 -1.22 -0.56 119.26 123.91 3cxx h ALA 355 Ca 0.25 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.98 3cxx h ALA 355 Cb 0.20 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.92 3cxx h ALA 355 CO -0.20 -0.17 -0.10 1.96 0.00 0.00 0.00 179.25 180.74 3cxx h GLN 356 N -0.27 -0.06 -0.37 0.00 4.20 -1.16 -0.67 115.11 116.78 3cxx h GLN 356 Ca 0.01 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.58 3cxx h GLN 356 Cb 0.48 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 3cxx h GLN 356 CO 0.01 -0.04 -0.34 0.82 -0.67 0.00 0.00 178.83 178.61 3cxx h ILE 357 N -0.07 1.28 -0.60 2.54 2.04 -1.16 -0.18 117.51 121.36 3cxx h ILE 357 Ca 0.12 -1.51 -0.06 0.00 1.00 0.00 0.00 64.86 64.42 3cxx h ILE 357 Cb 0.25 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 3cxx h ILE 357 CO -0.27 0.50 0.16 1.23 0.00 0.00 0.00 178.15 179.76 3cxx h GLY 358 N 0.68 1.03 0.91 5.37 0.00 -0.93 -1.53 103.07 108.60 3cxx h GLY 358 Ca 0.06 -0.64 -0.06 0.00 0.00 0.00 0.00 47.33 46.69 3cxx h GLY 358 CO 0.09 0.60 -0.04 -2.22 0.00 0.00 0.00 176.54 174.96 3cxx h ILE 359 N 0.87 1.27 -0.20 2.60 2.04 -1.02 -0.89 117.51 122.18 3cxx h ILE 359 Ca 0.19 -1.06 0.05 0.00 1.00 0.00 0.00 64.86 65.04 3cxx h ILE 359 Cb 0.34 1.29 -0.05 0.00 -0.74 0.00 0.00 36.82 37.66 3cxx h ILE 359 CO 0.00 0.35 -0.10 -0.08 0.00 0.00 0.00 178.15 178.31 3cxx h GLU 360 N 0.41 -0.08 -0.41 2.37 4.81 -0.87 0.16 114.58 120.97 3cxx h GLU 360 Ca 0.09 0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.20 3cxx h GLU 360 Cb 0.52 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.91 3cxx h GLU 360 CO 0.03 -0.06 -0.25 0.00 -0.73 0.00 0.00 179.01 178.00 3cxx h ALA 361 N 1.08 0.78 -0.37 2.92 0.00 -1.25 -2.37 119.26 120.05 3cxx h ALA 361 Ca 0.11 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 3cxx h ALA 361 Cb 0.25 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3cxx h ALA 361 CO -0.26 0.65 -0.01 1.25 0.00 0.00 0.00 179.25 180.89 3cxx h LEU 362 N 0.73 0.65 -1.27 0.00 5.85 -0.62 -1.38 115.31 119.28 3cxx h LEU 362 Ca 0.09 -0.31 -0.03 0.00 0.84 0.00 0.00 57.88 58.47 3cxx h LEU 362 Cb 0.79 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 3cxx h LEU 362 CO 0.07 0.81 0.14 -0.07 -0.34 0.00 0.00 178.44 179.05 3cxx h LEU 363 N 0.48 0.59 -0.09 2.25 3.38 -0.92 0.31 115.31 121.31 3cxx h LEU 363 Ca 0.10 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 3cxx h LEU 363 Cb 0.48 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 3cxx h LEU 363 CO 0.02 0.57 -0.15 0.50 0.09 0.00 0.00 178.44 179.47 3cxx h LYS 364 N 0.64 0.26 0.00 1.13 3.64 -1.28 -2.90 116.57 118.05 3cxx h LYS 364 Ca 0.15 -0.16 -0.17 0.00 -1.27 0.00 0.00 60.65 59.20 3cxx h LYS 364 Cb 0.19 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.00 3cxx h LYS 364 CO -0.01 0.74 -0.83 0.87 -2.27 0.00 0.00 179.45 177.94 3cxx h LYS 365 N -0.19 0.00 -2.05 1.90 1.79 -1.12 -3.39 116.57 113.52 3cxx h LYS 365 Ca 0.01 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.96 3cxx h LYS 365 Cb 0.72 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 30.97 3cxx h LYS 365 CO 0.03 0.83 -1.08 -1.33 -1.08 0.00 0.00 179.45 176.83 3cxx n MET 366 N -3.37 1.27 0.29 3.15 2.81 0.11 -4.93 117.12 116.45 3cxx n MET 366 Ca 0.00 -3.59 0.19 0.00 -1.81 0.00 0.00 57.70 52.49 3cxx n MET 366 Cb 0.85 -1.68 0.87 0.00 -0.71 0.00 0.00 33.22 32.55 3cxx n MET 366 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 3cxx h PRO 367 N 3.31 0.00 -0.54 0.03 0.13 -1.68 -0.91 132.00 132.33 3cxx h PRO 367 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3cxx h PRO 367 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 3cxx h PRO 367 CO 0.55 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.73 3cxx n GLY 368 N -0.39 1.46 3.66 1.56 0.00 -1.26 -4.96 105.19 105.27 3cxx n GLY 368 Ca -0.01 -0.49 -0.48 0.00 0.00 0.00 0.00 46.02 45.05 3cxx n GLY 368 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3cxx n VAL 369 N 0.62 0.16 -3.84 1.61 3.14 -0.35 -4.35 118.33 115.32 3cxx n VAL 369 Ca 0.15 -0.03 -0.10 0.00 -2.96 0.00 0.00 64.34 61.40 3cxx n VAL 369 Cb 0.51 -1.51 -0.08 0.00 -1.06 0.00 0.00 33.84 31.70 3cxx n VAL 369 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 3cxx s ASP 370 N 1.76 0.04 0.34 6.55 2.15 -0.55 -4.91 116.67 122.05 3cxx s ASP 370 Ca 0.84 -0.43 -0.29 0.00 0.43 0.00 0.00 52.55 53.10 3cxx s ASP 370 Cb -0.74 0.31 -0.12 0.00 -0.30 0.00 0.00 42.92 42.08 3cxx s ASP 370 CO 0.44 -0.61 1.46 0.18 -0.17 0.00 0.00 175.17 176.47 3cxx n LEU 371 N 0.46 4.28 -0.41 -1.34 4.77 -1.26 -0.76 117.00 122.74 3cxx n LEU 371 Ca -0.18 1.20 0.13 0.00 -0.03 0.00 0.00 56.01 57.13 3cxx n LEU 371 Cb 0.60 -1.57 0.34 0.00 -2.33 0.00 0.00 43.42 40.46 3cxx n LEU 371 CO 0.22 -0.03 0.66 0.00 -1.33 0.00 0.00 177.39 176.90 3cxx n ALA 372 N 0.93 2.96 -2.67 -1.18 0.00 -0.03 -4.58 120.51 115.93 3cxx n ALA 372 Ca 0.04 -0.47 -0.13 0.00 0.00 0.00 0.00 53.44 52.88 3cxx n ALA 372 Cb 0.37 -1.06 -0.11 0.00 0.00 0.00 0.00 19.45 18.65 3cxx n ALA 372 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3cxx s VAL 373 N -2.32 0.67 0.37 0.00 -7.23 -1.26 -4.98 120.40 105.66 3cxx s VAL 373 Ca 0.28 -1.33 -0.28 0.00 -1.81 0.00 0.00 61.98 58.84 3cxx s VAL 373 Cb 0.20 -0.94 -0.11 0.00 0.56 0.00 0.00 36.38 36.08 3cxx s VAL 373 CO 0.46 -0.48 1.47 -2.65 -0.31 0.00 0.00 175.10 173.59 3cxx n PRO 374 N 1.06 2.63 -0.25 4.82 -0.02 -1.26 -4.86 135.00 137.12 3cxx n PRO 374 Ca -0.20 0.92 0.19 0.00 -2.02 0.00 0.00 63.50 62.40 3cxx n PRO 374 Cb 0.56 -2.64 0.51 0.00 -0.02 0.00 0.00 33.50 31.91 3cxx n PRO 374 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3cxx h ILE 375 N 2.92 0.67 0.00 4.25 6.09 -2.00 0.65 117.51 130.09 3cxx h ILE 375 Ca -0.50 -0.14 0.00 0.00 -1.37 0.00 0.00 64.86 62.85 3cxx h ILE 375 Cb 1.25 0.23 0.00 0.00 0.47 0.00 0.00 36.82 38.77 3cxx h ILE 375 CO 0.64 0.07 0.00 0.44 -3.07 0.00 0.00 178.15 176.23 3cxx h ASP 376 N 0.40 0.00 1.03 2.19 3.32 -2.06 -2.53 116.42 118.76 3cxx h ASP 376 Ca 0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.52 3cxx h ASP 376 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 3cxx h ASP 376 CO -0.18 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.34 3cxx n GLN 377 N -2.55 0.09 -1.97 3.56 1.13 0.22 -4.82 117.38 113.04 3cxx n GLN 377 Ca 0.00 0.14 -0.41 0.00 -1.94 0.00 0.00 57.00 54.79 3cxx n GLN 377 Cb 0.19 -1.62 -0.01 0.00 0.11 0.00 0.00 30.24 28.90 3cxx n GLN 377 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3cxx s LEU 378 N -3.57 4.38 -0.37 1.08 1.43 -0.96 -4.97 118.68 115.70 3cxx s LEU 378 Ca 0.11 2.84 -0.11 0.00 -1.03 0.00 0.00 54.13 55.93 3cxx s LEU 378 Cb 0.15 -3.65 0.02 0.00 0.03 0.00 0.00 46.19 42.74 3cxx s LEU 378 CO 0.49 -0.69 0.21 -0.69 0.23 0.00 0.00 176.35 175.90 3cxx s VAL 379 N -1.00 4.67 -0.16 -1.59 1.01 -1.26 -5.00 120.40 117.07 3cxx s VAL 379 Ca 0.52 -0.78 -0.21 0.00 0.00 0.00 0.00 61.98 61.51 3cxx s VAL 379 Cb -0.43 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.34 3cxx s VAL 379 CO 0.56 -0.21 0.61 0.26 0.00 0.00 0.00 175.10 176.32 3cxx s TRP 380 N 1.58 3.43 0.22 5.22 0.52 -1.26 -0.22 118.94 128.42 3cxx s TRP 380 Ca 0.03 0.97 -0.32 0.00 0.02 0.00 0.00 56.10 56.80 3cxx s TRP 380 Cb -0.19 -2.76 -0.12 0.00 -1.15 0.00 0.00 33.47 29.25 3cxx s TRP 380 CO 0.07 -0.07 1.70 -2.13 0.02 0.00 0.00 176.95 176.54 3cxx n ARG 381 N 4.59 2.74 -3.96 4.98 0.63 -0.02 -4.95 116.66 120.68 3cxx n ARG 381 Ca -0.02 0.99 -0.21 0.00 -0.92 0.00 0.00 57.85 57.68 3cxx n ARG 381 Cb 0.50 -2.82 -0.03 0.00 0.45 0.00 0.00 32.46 30.57 3cxx n ARG 381 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 3cxx s THR 382 N 1.03 4.89 -1.44 5.15 -4.23 -1.26 -4.63 115.64 115.15 3cxx s THR 382 Ca 0.74 -1.11 -0.02 0.00 -1.18 0.00 0.00 61.69 60.12 3cxx s THR 382 Cb -0.51 -3.68 0.00 0.00 1.34 0.00 0.00 72.50 69.65 3cxx s THR 382 CO 0.34 -0.31 0.29 0.54 -0.54 0.00 0.00 174.62 174.93 3cxx n ARG 383 N -1.37 -2.27 -4.11 3.99 1.74 -1.26 -4.90 116.66 108.48 3cxx n ARG 383 Ca -0.08 0.28 -0.12 0.00 -0.77 0.00 0.00 57.85 57.17 3cxx n ARG 383 Cb 0.57 -4.10 -0.11 0.00 -1.02 0.00 0.00 32.46 27.80 3cxx n ARG 383 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3cxx s PHE 384 N -4.09 0.76 -0.66 -1.55 5.36 -1.26 -0.66 117.98 115.88 3cxx s PHE 384 Ca 0.03 -0.69 0.26 0.00 -0.96 0.00 0.00 56.93 55.57 3cxx s PHE 384 Cb -0.01 -0.45 0.85 0.00 -0.34 0.00 0.00 43.02 43.07 3cxx s PHE 384 CO 0.93 -0.12 1.76 1.04 -1.46 0.00 0.00 175.22 177.37 3cxx n GLN 385 N 0.78 0.25 -4.39 10.12 6.02 0.12 -4.55 117.38 125.73 3cxx n GLN 385 Ca -0.18 0.27 -0.26 0.00 -0.01 0.00 0.00 57.00 56.82 3cxx n GLN 385 Cb 0.57 -1.83 -0.10 0.00 1.02 0.00 0.00 30.24 29.90 3cxx n GLN 385 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3cxx s ARG 386 N -3.16 1.73 -0.23 -1.09 1.81 -1.26 -1.71 118.95 115.04 3cxx s ARG 386 Ca 0.09 -1.52 -0.11 0.00 -1.72 0.00 0.00 55.73 52.48 3cxx s ARG 386 Cb 0.11 -1.92 -0.05 0.00 -0.45 0.00 0.00 34.95 32.64 3cxx s ARG 386 CO 0.55 0.39 0.17 1.03 -0.68 0.00 0.00 175.30 176.76 3cxx s ARG 387 N -2.97 4.09 -0.11 3.54 0.52 0.99 -4.68 118.95 120.33 3cxx s ARG 387 Ca 0.25 -0.24 -0.21 0.00 -0.52 0.00 0.00 55.73 55.01 3cxx s ARG 387 Cb -0.07 -3.53 0.05 0.00 0.52 0.00 0.00 34.95 31.92 3cxx s ARG 387 CO 0.13 0.07 0.52 0.96 0.02 0.00 0.00 175.30 177.00 3cxx s ILE 388 N 1.02 0.01 0.23 1.52 -4.36 -1.26 -4.66 121.20 113.70 3cxx s ILE 388 Ca 0.08 -0.12 -0.30 0.00 -0.26 0.00 0.00 60.65 60.05 3cxx s ILE 388 Cb -0.13 -0.78 -0.09 0.00 1.25 0.00 0.00 42.46 42.71 3cxx s ILE 388 CO 0.04 -0.07 0.96 -2.16 0.24 0.00 0.00 174.94 173.96 3cxx s PRO 389 N -0.53 4.81 0.21 0.37 0.04 -1.26 -0.84 135.00 137.81 3cxx s PRO 389 Ca -0.06 1.52 -0.09 0.00 0.04 0.00 0.00 61.00 62.41 3cxx s PRO 389 Cb -0.03 -3.28 0.17 0.00 0.04 0.00 0.00 34.50 31.39 3cxx s PRO 389 CO 0.04 0.44 1.85 0.93 0.04 0.00 0.00 177.00 180.30 3cxx h GLU 390 N 4.32 1.09 -4.82 4.56 4.39 -0.97 -3.42 114.58 119.73 3cxx h GLU 390 Ca -0.45 -0.11 -0.33 0.00 0.34 0.00 0.00 59.36 58.81 3cxx h GLU 390 Cb 1.20 -0.22 -0.22 0.00 -0.10 0.00 0.00 28.75 29.41 3cxx h GLU 390 CO 0.68 0.78 -0.75 1.03 -1.16 0.00 0.00 179.01 179.60 3cxx s ARG 391 N -5.93 0.63 -0.62 2.33 0.52 -1.26 -4.74 118.95 109.88 3cxx s ARG 391 Ca -0.13 -0.77 0.04 0.00 -0.52 0.00 0.00 55.73 54.36 3cxx s ARG 391 Cb 0.15 -0.50 0.16 0.00 0.52 0.00 0.00 34.95 35.29 3cxx s ARG 391 CO 0.80 0.11 0.42 -1.17 0.02 0.00 0.00 175.30 175.48 3cxx s LEU 392 N -1.48 4.22 -0.06 2.53 2.96 -1.26 -4.68 118.68 120.91 3cxx s LEU 392 Ca -0.06 -3.54 -0.30 0.00 -0.22 0.00 0.00 54.13 50.01 3cxx s LEU 392 Cb -0.09 -1.47 -0.04 0.00 0.50 0.00 0.00 46.19 45.09 3cxx s LEU 392 CO 0.01 -0.13 1.29 -2.84 -1.32 0.00 0.00 176.35 173.36 3cxx s PRO 393 N -0.97 4.31 0.20 0.98 0.02 -1.26 -1.17 135.00 137.10 3cxx s PRO 393 Ca 0.24 1.78 0.07 0.00 0.02 0.00 0.00 61.00 63.11 3cxx s PRO 393 Cb -0.09 -3.61 -0.05 0.00 0.02 0.00 0.00 34.50 30.78 3cxx s PRO 393 CO -0.13 -0.54 -0.14 0.14 -0.33 0.00 0.00 177.00 176.00 3cxx s VAL 394 N 2.54 1.68 0.36 3.83 -7.23 0.85 -0.85 120.40 121.57 3cxx s VAL 394 Ca 0.59 -2.20 0.03 0.00 -1.81 0.00 0.00 61.98 58.59 3cxx s VAL 394 Cb -0.27 -2.02 -0.04 0.00 0.56 0.00 0.00 36.38 34.61 3cxx s VAL 394 CO 0.22 -0.61 0.11 -1.48 -0.31 0.00 0.00 175.10 173.03 3cxx s LEU 395 N -3.30 1.97 0.00 1.32 0.05 0.06 -1.50 118.68 117.27 3cxx s LEU 395 Ca 0.22 -1.54 0.00 0.00 0.05 0.00 0.00 54.13 52.85 3cxx s LEU 395 Cb -0.00 -0.13 0.00 0.00 -2.05 0.00 0.00 46.19 44.00 3cxx s LEU 395 CO 0.06 -0.81 0.00 -2.67 -0.55 0.00 0.00 176.35 172.38