#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q2u s ALA 2 N 0.00 1.43 0.39 3.04 0.00 -1.26 -5.00 121.76 120.36 1q2u s ALA 2 Ca 0.00 0.45 -0.18 0.00 0.00 0.00 0.00 51.96 52.24 1q2u s ALA 2 Cb 0.00 -3.39 -0.10 0.00 0.00 0.00 0.00 23.12 19.63 1q2u s ALA 2 CO 0.00 -2.68 0.86 -1.12 0.00 0.00 0.00 175.76 172.82 1q2u s SER 3 N -2.81 6.83 0.70 0.00 0.01 -1.26 -5.05 113.70 112.13 1q2u s SER 3 Ca 0.66 1.49 -0.11 0.00 1.31 0.00 0.00 55.95 59.29 1q2u s SER 3 Cb -0.22 -2.46 0.02 0.00 0.21 0.00 0.00 66.02 63.57 1q2u s SER 3 CO 0.58 -0.32 1.07 -0.54 0.41 0.00 0.00 173.24 174.44 1q2u s LYS 4 N -3.20 2.77 -0.01 12.44 -0.14 -1.26 -4.84 119.74 125.49 1q2u s LYS 4 Ca 0.58 1.07 0.06 0.00 -1.36 0.00 0.00 55.97 56.31 1q2u s LYS 4 Cb -0.10 -1.97 -0.01 0.00 -1.68 0.00 0.00 37.83 34.07 1q2u s LYS 4 CO 0.17 -1.23 -0.18 1.03 -0.76 0.00 0.00 175.35 174.38 1q2u s ARG 5 N -4.85 1.43 -0.02 1.68 0.52 -1.26 -1.19 118.95 115.26 1q2u s ARG 5 Ca 0.60 -0.66 0.06 0.00 -0.52 0.00 0.00 55.73 55.20 1q2u s ARG 5 Cb -0.15 -1.39 -0.01 0.00 0.52 0.00 0.00 34.95 33.91 1q2u s ARG 5 CO 0.53 0.38 -0.18 0.00 0.02 0.00 0.00 175.30 176.04 1q2u s ALA 6 N -0.46 1.55 -0.21 2.13 0.00 -0.12 -0.63 121.76 124.01 1q2u s ALA 6 Ca 0.07 -0.79 -0.03 0.00 0.00 0.00 0.00 51.96 51.21 1q2u s ALA 6 Cb -0.07 -0.41 -0.01 0.00 0.00 0.00 0.00 23.12 22.63 1q2u s ALA 6 CO -0.00 0.37 -0.05 -1.17 0.00 0.00 0.00 175.76 174.90 1q2u s LEU 7 N -0.37 2.90 -0.26 0.00 2.96 -0.41 -0.75 118.68 122.75 1q2u s LEU 7 Ca 0.06 -0.37 -0.03 0.00 -0.22 0.00 0.00 54.13 53.57 1q2u s LEU 7 Cb -0.08 -1.73 0.02 0.00 0.50 0.00 0.00 46.19 44.91 1q2u s LEU 7 CO -0.00 0.01 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.32 1q2u s VAL 8 N 1.28 3.11 -0.32 1.68 1.01 -0.45 0.39 120.40 127.10 1q2u s VAL 8 Ca 0.03 -0.98 -0.21 0.00 0.00 0.00 0.00 61.98 60.82 1q2u s VAL 8 Cb -0.14 -2.60 -0.00 0.00 0.00 0.00 0.00 36.38 33.63 1q2u s VAL 8 CO -0.02 0.16 0.68 -0.63 0.00 0.00 0.00 175.10 175.29 1q2u s ILE 9 N 1.36 4.88 -0.32 2.22 1.01 -0.94 -0.68 121.20 128.72 1q2u s ILE 9 Ca 0.00 0.91 -0.08 0.00 0.00 0.00 0.00 60.65 61.48 1q2u s ILE 9 Cb -0.17 -4.07 0.02 0.00 0.01 0.00 0.00 42.46 38.25 1q2u s ILE 9 CO -0.03 -0.22 0.13 -0.22 0.00 0.00 0.00 174.94 174.60 1q2u s LEU 10 N 2.75 4.18 0.25 2.97 2.96 0.46 -4.38 118.68 127.86 1q2u s LEU 10 Ca 0.27 -0.83 0.11 0.00 -0.22 0.00 0.00 54.13 53.46 1q2u s LEU 10 Cb -0.14 -1.93 -0.05 0.00 0.50 0.00 0.00 46.19 44.57 1q2u s LEU 10 CO 0.13 -0.26 -0.12 0.00 -1.32 0.00 0.00 176.35 174.78 1q2u s ALA 11 N 1.51 2.90 0.26 5.97 0.00 -1.26 -1.67 121.76 129.47 1q2u s ALA 11 Ca 0.02 -1.71 -0.31 0.00 0.00 0.00 0.00 51.96 49.97 1q2u s ALA 11 Cb -0.18 -0.53 -0.13 0.00 0.00 0.00 0.00 23.12 22.28 1q2u s ALA 11 CO 0.04 0.32 1.42 1.17 0.00 0.00 0.00 175.76 178.71 1q2u n LYS 12 N -0.51 2.12 -0.53 0.00 4.81 -1.26 -1.53 118.16 121.27 1q2u n LYS 12 Ca -0.07 0.75 0.00 0.00 -0.87 0.00 0.00 58.31 58.12 1q2u n LYS 12 Cb 0.58 -2.42 0.00 0.00 0.02 0.00 0.00 35.03 33.22 1q2u n LYS 12 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1q2u n GLY 13 N 2.02 0.76 3.76 3.14 0.00 -0.72 -3.26 105.19 110.88 1q2u n GLY 13 Ca 0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 1q2u n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q2u s ALA 14 N -2.83 2.78 -0.37 4.61 0.00 -0.58 -2.30 121.76 123.07 1q2u s ALA 14 Ca 0.00 1.02 -0.29 0.00 0.00 0.00 0.00 51.96 52.69 1q2u s ALA 14 Cb 0.00 -3.44 0.01 0.00 0.00 0.00 0.00 23.12 19.69 1q2u s ALA 14 CO 0.00 -0.97 1.28 -2.00 0.00 0.00 0.00 175.76 174.07 1q2u s GLU 15 N -3.01 3.79 0.41 0.00 -6.30 -0.50 -0.38 118.70 112.72 1q2u s GLU 15 Ca 0.71 1.00 0.10 0.00 -2.50 0.00 0.00 54.97 54.27 1q2u s GLU 15 Cb -0.31 -3.91 0.92 0.00 0.00 0.00 0.00 34.13 30.82 1q2u s GLU 15 CO 0.36 -1.29 2.02 1.05 0.02 0.00 0.00 175.26 177.42 1q2u h GLU 16 N 9.59 0.50 -0.38 4.30 9.09 -1.91 -1.78 114.58 133.98 1q2u h GLU 16 Ca -0.25 -0.03 -0.14 0.00 0.05 0.00 0.00 59.36 58.99 1q2u h GLU 16 Cb 1.09 -0.11 -0.01 0.00 -1.65 0.00 0.00 28.75 28.06 1q2u h GLU 16 CO 1.07 0.33 -0.30 0.52 0.05 0.00 0.00 179.01 180.68 1q2u h MET 17 N 0.52 0.84 0.00 1.06 2.86 -1.99 0.07 114.93 118.29 1q2u h MET 17 Ca 0.22 -0.39 0.00 0.00 -2.06 0.00 0.00 59.70 57.47 1q2u h MET 17 Cb 0.22 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.87 1q2u h MET 17 CO -0.06 1.03 0.00 0.39 1.06 0.00 0.00 176.91 179.33 1q2u n GLU 18 N -4.08 0.14 -0.11 1.72 1.02 -0.74 -1.60 120.64 116.99 1q2u n GLU 18 Ca -0.01 0.30 -0.19 0.00 -0.02 0.00 0.00 57.16 57.25 1q2u n GLU 18 Cb 0.49 -1.73 -0.08 0.00 -0.02 0.00 0.00 31.44 30.10 1q2u n GLU 18 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1q2u n THR 19 N -1.99 1.50 -0.18 2.62 -1.04 -0.79 -4.35 114.28 110.05 1q2u n THR 19 Ca 0.03 -0.05 -0.10 0.00 -2.04 0.00 0.00 64.05 61.89 1q2u n THR 19 Cb 0.26 -2.12 0.01 0.00 -1.82 0.00 0.00 70.33 66.66 1q2u n THR 19 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1q2u h VAL 20 N -1.00 1.27 -0.01 12.58 2.07 -1.00 -2.68 116.25 127.47 1q2u h VAL 20 Ca -0.32 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 65.96 1q2u h VAL 20 Cb 1.18 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1q2u h VAL 20 CO -0.20 0.44 -0.01 0.40 0.02 0.00 0.00 177.57 178.22 1q2u h ILE 21 N 0.87 0.98 -0.42 4.57 2.04 -1.52 0.13 117.51 124.15 1q2u h ILE 21 Ca 0.14 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.90 1q2u h ILE 21 Cb 0.65 0.98 -0.02 0.00 -0.74 0.00 0.00 36.82 37.69 1q2u h ILE 21 CO 0.05 0.00 -0.12 1.55 0.00 0.00 0.00 178.15 179.62 1q2u h PRO 22 N -0.01 0.77 -0.13 2.37 0.13 -1.75 -0.75 132.00 132.64 1q2u h PRO 22 Ca 0.01 -0.26 -0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1q2u h PRO 22 Cb 0.02 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.08 1q2u h PRO 22 CO -0.02 0.86 0.07 0.28 -0.23 0.00 0.00 178.00 178.96 1q2u h VAL 23 N 0.69 1.09 0.46 1.56 2.07 -1.24 -0.14 116.25 120.74 1q2u h VAL 23 Ca 0.12 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 1q2u h VAL 23 Cb 0.60 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1q2u h VAL 23 CO 0.04 0.08 -0.22 -0.78 0.02 0.00 0.00 177.57 176.71 1q2u h ASP 24 N 0.11 -0.52 -0.99 0.57 1.82 -0.89 -1.75 116.42 114.77 1q2u h ASP 24 Ca 0.04 -0.02 0.02 0.00 -0.39 0.00 0.00 57.03 56.68 1q2u h ASP 24 Cb 0.07 0.13 -0.05 0.00 0.68 0.00 0.00 39.33 40.17 1q2u h ASP 24 CO -0.01 -0.32 0.66 0.58 -1.61 0.00 0.00 179.24 178.54 1q2u h VAL 25 N -0.68 1.24 -0.43 2.25 2.07 -1.12 -0.79 116.25 118.79 1q2u h VAL 25 Ca -0.06 -0.45 -0.10 0.00 0.82 0.00 0.00 66.70 66.90 1q2u h VAL 25 Cb 0.51 -0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.05 1q2u h VAL 25 CO 0.10 0.24 -0.13 0.24 0.02 0.00 0.00 177.57 178.04 1q2u h MET 26 N 1.33 0.78 -0.10 1.57 2.86 -0.95 -2.12 114.93 118.30 1q2u h MET 26 Ca 0.37 -0.27 -0.10 0.00 -2.06 0.00 0.00 59.70 57.64 1q2u h MET 26 Cb -0.12 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.47 1q2u h MET 26 CO -0.09 0.87 -0.41 0.00 1.06 0.00 0.00 176.91 178.35 1q2u h ARG 27 N 0.70 0.22 0.00 1.72 3.08 -0.68 -1.23 114.38 118.19 1q2u h ARG 27 Ca 0.12 -0.10 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 1q2u h ARG 27 Cb 0.62 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 1q2u h ARG 27 CO 0.04 0.60 -0.22 0.00 -1.07 0.00 0.00 179.97 179.32 1q2u h ARG 28 N 0.19 0.00 -0.10 0.04 3.08 -0.74 -1.51 114.38 115.34 1q2u h ARG 28 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1q2u h ARG 28 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.85 1q2u h ARG 28 CO 0.06 0.22 0.00 0.00 -1.07 0.00 0.00 179.97 179.18 1q2u n ALA 29 N -2.39 2.55 -1.01 0.04 0.00 -0.56 -4.89 120.51 114.25 1q2u n ALA 29 Ca -0.02 -0.32 -0.01 0.00 0.00 0.00 0.00 53.44 53.10 1q2u n ALA 29 Cb 0.30 -1.16 -0.00 0.00 0.00 0.00 0.00 19.45 18.60 1q2u n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q2u n GLY 30 N 0.93 0.47 3.77 0.00 0.00 -0.57 -5.02 105.19 104.76 1q2u n GLY 30 Ca 0.13 -0.56 -0.40 0.00 0.00 0.00 0.00 46.02 45.20 1q2u n GLY 30 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q2u s ILE 31 N -2.00 4.57 -0.54 -0.61 1.01 -0.66 -4.60 121.20 118.37 1q2u s ILE 31 Ca 0.00 1.62 -0.26 0.00 0.00 0.00 0.00 60.65 62.01 1q2u s ILE 31 Cb 0.00 -4.10 0.03 0.00 0.01 0.00 0.00 42.46 38.40 1q2u s ILE 31 CO 0.00 0.46 1.02 -0.75 0.00 0.00 0.00 174.94 175.67 1q2u s LYS 32 N -0.65 3.44 -0.15 2.79 2.47 -0.33 -4.24 119.74 123.06 1q2u s LYS 32 Ca 0.36 0.00 -0.07 0.00 -1.56 0.00 0.00 55.97 54.71 1q2u s LYS 32 Cb -0.22 -4.01 -0.04 0.00 -1.46 0.00 0.00 37.83 32.10 1q2u s LYS 32 CO 0.24 -1.49 0.08 0.08 0.16 0.00 0.00 175.35 174.42 1q2u s VAL 33 N 4.22 4.97 -0.24 4.02 1.01 -1.26 -0.95 120.40 132.17 1q2u s VAL 33 Ca 0.36 0.02 -0.01 0.00 0.00 0.00 0.00 61.98 62.36 1q2u s VAL 33 Cb -0.10 -3.20 0.03 0.00 0.00 0.00 0.00 36.38 33.10 1q2u s VAL 33 CO 0.23 0.52 -0.09 -0.89 0.00 0.00 0.00 175.10 174.87 1q2u s THR 34 N -0.17 2.65 -0.50 3.92 2.01 0.07 -4.96 115.64 118.66 1q2u s THR 34 Ca 0.08 -1.11 -0.23 0.00 0.31 0.00 0.00 61.69 60.74 1q2u s THR 34 Cb -0.12 -2.35 0.04 0.00 0.01 0.00 0.00 72.50 70.08 1q2u s THR 34 CO 0.01 0.21 0.83 -0.69 -0.69 0.00 0.00 174.62 174.29 1q2u s VAL 35 N 1.29 4.58 -0.20 3.82 1.01 -1.26 -1.34 120.40 128.29 1q2u s VAL 35 Ca -0.01 0.26 -0.08 0.00 0.00 0.00 0.00 61.98 62.15 1q2u s VAL 35 Cb -0.17 -4.40 -0.04 0.00 0.00 0.00 0.00 36.38 31.77 1q2u s VAL 35 CO -0.06 -0.88 0.07 0.00 0.00 0.00 0.00 175.10 174.23 1q2u s ALA 36 N 3.46 3.40 -0.14 5.51 0.00 0.14 -0.04 121.76 134.09 1q2u s ALA 36 Ca 0.28 -0.82 -0.29 0.00 0.00 0.00 0.00 51.96 51.14 1q2u s ALA 36 Cb -0.13 -1.99 -0.01 0.00 0.00 0.00 0.00 23.12 20.99 1q2u s ALA 36 CO 0.20 0.04 0.98 0.20 0.00 0.00 0.00 175.76 177.18 1q2u s GLY 37 N 0.62 2.20 0.11 0.00 0.00 0.08 -0.41 107.32 109.92 1q2u s GLY 37 Ca 0.04 0.28 -0.21 0.00 0.00 0.00 0.00 44.72 44.83 1q2u s GLY 37 CO 0.01 1.92 1.75 -2.00 0.00 0.00 0.00 173.10 174.79 1q2u h LEU 38 N 8.31 0.09 -0.10 0.66 5.85 -1.66 0.07 115.31 128.54 1q2u h LEU 38 Ca -0.29 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.44 1q2u h LEU 38 Cb 1.13 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.14 1q2u h LEU 38 CO 0.87 0.07 0.00 0.00 -0.34 0.00 0.00 178.44 179.05 1q2u n ALA 39 N -2.14 2.20 0.00 1.25 0.00 -1.26 -4.64 120.51 115.92 1q2u n ALA 39 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1q2u n ALA 39 Cb 0.04 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.03 1q2u n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q2u n GLY 40 N 1.13 0.24 0.27 0.00 0.00 -1.07 -4.90 105.19 100.86 1q2u n GLY 40 Ca 0.05 -1.35 0.12 0.00 0.00 0.00 0.00 46.02 44.84 1q2u n GLY 40 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1q2u n LYS 41 N 0.00 0.83 -1.52 1.61 3.00 -1.26 -3.79 118.16 117.03 1q2u n LYS 41 Ca 0.00 -0.54 -0.31 0.00 -0.00 0.00 0.00 58.31 57.45 1q2u n LYS 41 Cb 0.00 -1.49 0.06 0.00 0.00 0.00 0.00 35.03 33.60 1q2u n LYS 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1q2u s ASP 42 N -2.54 5.04 0.59 3.14 1.01 -1.26 -4.53 116.67 118.11 1q2u s ASP 42 Ca 0.22 1.77 -0.19 0.00 0.71 0.00 0.00 52.55 55.05 1q2u s ASP 42 Cb 0.19 -2.52 -0.04 0.00 1.01 0.00 0.00 42.92 41.56 1q2u s ASP 42 CO 0.55 -1.67 1.12 -0.81 0.21 0.00 0.00 175.17 174.57 1q2u n PRO 43 N -3.07 1.15 -4.44 8.23 -0.04 -1.26 -4.53 135.00 131.04 1q2u n PRO 43 Ca 0.09 0.44 -0.34 0.00 -0.04 0.00 0.00 63.50 63.65 1q2u n PRO 43 Cb 0.53 -2.32 -0.14 0.00 -0.04 0.00 0.00 33.50 31.53 1q2u n PRO 43 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1q2u s VAL 44 N -1.42 3.13 -0.46 0.52 1.01 0.60 -4.94 120.40 118.83 1q2u s VAL 44 Ca 0.75 -0.61 -0.24 0.00 0.00 0.00 0.00 61.98 61.88 1q2u s VAL 44 Cb -0.42 -2.35 0.03 0.00 0.00 0.00 0.00 36.38 33.63 1q2u s VAL 44 CO 0.47 0.49 0.86 -1.58 0.00 0.00 0.00 175.10 175.34 1q2u s GLN 45 N 0.77 3.46 0.94 2.72 0.74 -1.26 -1.48 119.66 125.54 1q2u s GLN 45 Ca -0.04 0.01 -0.15 0.00 0.05 0.00 0.00 55.36 55.23 1q2u s GLN 45 Cb -0.15 -3.94 0.17 0.00 1.10 0.00 0.00 33.01 30.18 1q2u s GLN 45 CO 0.01 -1.19 1.22 0.00 -0.55 0.00 0.00 175.29 174.78 1q2u h SER 47 N -1.57 0.61 -0.74 0.00 4.64 -0.81 -0.90 113.55 114.77 1q2u h SER 47 Ca -0.46 0.08 -0.47 0.00 -0.47 0.00 0.00 61.79 60.47 1q2u h SER 47 Cb 1.29 -0.03 -0.27 0.00 -0.31 0.00 0.00 62.40 63.08 1q2u h SER 47 CO 0.50 0.21 0.18 0.54 -0.87 0.00 0.00 176.83 177.39 1q2u n ARG 48 N -4.66 2.53 -1.00 4.77 3.00 -1.26 -4.94 116.66 115.10 1q2u n ARG 48 Ca 0.22 -3.39 0.00 0.00 -0.01 0.00 0.00 57.85 54.67 1q2u n ARG 48 Cb 0.67 -2.12 0.00 0.00 0.00 0.00 0.00 32.46 31.01 1q2u n ARG 48 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1q2u n ASP 49 N -0.99 -5.39 -4.73 0.55 8.00 -0.34 -4.98 116.55 108.67 1q2u n ASP 49 Ca 0.49 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.58 1q2u n ASP 49 Cb 1.03 -2.95 -0.03 0.00 -0.02 0.00 0.00 41.12 39.15 1q2u n ASP 49 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1q2u s VAL 50 N -1.18 3.72 -0.27 2.53 1.01 -1.26 -4.71 120.40 120.23 1q2u s VAL 50 Ca 0.00 1.37 -0.08 0.00 0.00 0.00 0.00 61.98 63.27 1q2u s VAL 50 Cb 0.00 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 1q2u s VAL 50 CO 0.00 0.18 0.09 -0.69 0.00 0.00 0.00 175.10 174.69 1q2u s VAL 51 N 0.30 4.39 -0.08 2.92 1.01 -1.26 -0.92 120.40 126.76 1q2u s VAL 51 Ca 0.55 -0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.30 1q2u s VAL 51 Cb -0.32 -3.11 -0.02 0.00 0.00 0.00 0.00 36.38 32.93 1q2u s VAL 51 CO 0.34 0.26 -0.12 -0.63 0.00 0.00 0.00 175.10 174.95 1q2u s ILE 52 N 1.61 3.19 -0.33 2.22 1.01 -0.55 -4.90 121.20 123.45 1q2u s ILE 52 Ca 0.06 -0.65 -0.16 0.00 0.00 0.00 0.00 60.65 59.89 1q2u s ILE 52 Cb -0.16 -2.29 -0.01 0.00 0.01 0.00 0.00 42.46 40.01 1q2u s ILE 52 CO 0.04 0.57 0.43 0.00 0.00 0.00 0.00 174.94 175.98 1q2u s PRO 54 N 2.18 2.55 0.32 0.00 0.04 -1.26 -4.94 135.00 133.89 1q2u s PRO 54 Ca 0.15 1.44 0.13 0.00 0.04 0.00 0.00 61.00 62.76 1q2u s PRO 54 Cb -0.16 -1.91 0.53 0.00 0.04 0.00 0.00 34.50 33.00 1q2u s PRO 54 CO 0.12 -1.45 1.70 -0.44 0.04 0.00 0.00 177.00 176.97 1q2u h ASP 55 N -0.21 0.00 -5.39 6.66 3.32 -0.83 -3.47 116.42 116.49 1q2u h ASP 55 Ca -0.46 0.00 0.19 0.00 0.02 0.00 0.00 57.03 56.78 1q2u h ASP 55 Cb 1.25 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.73 1q2u h ASP 55 CO 0.52 0.50 0.54 0.00 -1.72 0.00 0.00 179.24 179.08 1q2u s ALA 56 N -3.80 -1.72 0.58 3.45 0.00 -1.13 -5.00 121.76 114.15 1q2u s ALA 56 Ca -0.02 0.14 -0.14 0.00 0.00 0.00 0.00 51.96 51.95 1q2u s ALA 56 Cb 0.13 0.62 -0.05 0.00 0.00 0.00 0.00 23.12 23.82 1q2u s ALA 56 CO 0.74 -1.05 1.02 -1.54 0.00 0.00 0.00 175.76 174.92 1q2u s SER 57 N -3.00 6.31 0.26 0.00 1.04 -1.26 -0.74 113.70 116.32 1q2u s SER 57 Ca 0.13 1.52 -0.04 0.00 0.48 0.00 0.00 55.95 58.04 1q2u s SER 57 Cb -0.01 -2.49 0.32 0.00 0.10 0.00 0.00 66.02 63.94 1q2u s SER 57 CO 0.02 -0.81 1.87 0.25 0.98 0.00 0.00 173.24 175.55 1q2u h LEU 58 N 0.21 0.99 -0.37 2.42 5.85 -1.23 -0.22 115.31 122.96 1q2u h LEU 58 Ca -0.45 -0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.22 1q2u h LEU 58 Cb 1.19 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.92 1q2u h LEU 58 CO 0.61 0.82 0.05 -0.08 -0.34 0.00 0.00 178.44 179.50 1q2u h GLU 59 N 1.09 0.16 -0.18 1.25 4.81 -1.89 0.13 114.58 119.95 1q2u h GLU 59 Ca 0.27 -0.01 -0.19 0.00 -0.13 0.00 0.00 59.36 59.30 1q2u h GLU 59 Cb 0.08 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.43 1q2u h GLU 59 CO -0.04 0.11 -0.65 -0.44 -0.73 0.00 0.00 179.01 177.26 1q2u h ASP 60 N 0.16 0.74 -0.79 1.04 3.32 -1.85 -3.14 116.42 115.91 1q2u h ASP 60 Ca 0.18 -0.44 -0.02 0.00 0.02 0.00 0.00 57.03 56.77 1q2u h ASP 60 Cb 0.22 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.52 1q2u h ASP 60 CO -0.25 1.20 0.42 0.00 -1.72 0.00 0.00 179.24 178.89 1q2u h ALA 61 N 0.80 1.25 -0.81 3.45 0.00 -0.54 -2.50 119.26 120.90 1q2u h ALA 61 Ca -0.01 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.82 1q2u h ALA 61 Cb 1.23 -0.32 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 1q2u h ALA 61 CO 0.13 0.60 0.50 -0.22 0.00 0.00 0.00 179.25 180.26 1q2u h LYS 62 N 1.12 0.89 0.00 0.00 3.64 -0.71 -1.11 116.57 120.40 1q2u h LYS 62 Ca 0.28 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1q2u h LYS 62 Cb 0.05 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 1q2u h LYS 62 CO -0.04 0.59 0.00 0.87 -2.27 0.00 0.00 179.45 178.60 1q2u h LYS 63 N 0.92 0.00 -0.34 1.90 6.56 -1.45 -1.16 116.57 123.00 1q2u h LYS 63 Ca 0.35 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.94 1q2u h LYS 63 Cb 0.15 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.81 1q2u h LYS 63 CO -0.17 0.00 0.00 0.39 -2.06 0.00 0.00 179.45 177.61 1q2u n GLU 64 N -2.68 2.44 -0.89 3.15 -0.58 -0.43 -4.96 120.64 116.68 1q2u n GLU 64 Ca -0.01 -2.17 -0.17 0.00 -0.42 0.00 0.00 57.16 54.40 1q2u n GLU 64 Cb 0.15 -1.50 0.12 0.00 -0.57 0.00 0.00 31.44 29.64 1q2u n GLU 64 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1q2u n GLY 65 N 1.47 -1.81 3.90 0.62 0.00 -0.44 -4.87 105.19 104.06 1q2u n GLY 65 Ca 0.19 -1.61 -0.29 0.00 0.00 0.00 0.00 46.02 44.31 1q2u n GLY 65 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1q2u s PRO 66 N -4.54 2.62 0.24 1.61 0.04 -1.26 -5.10 135.00 128.61 1q2u s PRO 66 Ca 0.41 0.21 0.08 0.00 0.04 0.00 0.00 61.00 61.75 1q2u s PRO 66 Cb -0.02 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 1q2u s PRO 66 CO 0.30 -1.09 0.04 0.71 0.04 0.00 0.00 177.00 177.00 1q2u s TYR 67 N -3.31 2.82 -0.16 0.56 1.51 -1.26 -5.00 117.35 112.51 1q2u s TYR 67 Ca 0.58 -0.18 0.29 0.00 -1.01 0.00 0.00 57.07 56.75 1q2u s TYR 67 Cb -0.11 -1.28 0.94 0.00 -0.11 0.00 0.00 41.96 41.40 1q2u s TYR 67 CO 0.49 0.58 1.82 -0.44 -1.11 0.00 0.00 175.55 176.89 1q2u h ASP 68 N 1.99 0.00 -3.97 2.29 3.32 -1.24 -3.45 116.42 115.36 1q2u h ASP 68 Ca -0.46 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.52 1q2u h ASP 68 Cb 1.24 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.57 1q2u h ASP 68 CO 0.60 0.00 -0.01 0.54 -1.72 0.00 0.00 179.24 178.65 1q2u s VAL 69 N -3.46 0.00 -0.19 -1.35 0.11 -1.15 -3.37 120.40 111.00 1q2u s VAL 69 Ca 0.04 -0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.07 1q2u s VAL 69 Cb 0.08 -0.84 -0.00 0.00 -1.53 0.00 0.00 36.38 34.08 1q2u s VAL 69 CO 0.59 -0.00 -0.10 -0.69 -3.33 0.00 0.00 175.10 171.57 1q2u s VAL 70 N 0.30 3.03 -0.16 2.04 1.01 -0.87 -1.29 120.40 124.46 1q2u s VAL 70 Ca -0.00 -0.63 -0.04 0.00 0.00 0.00 0.00 61.98 61.31 1q2u s VAL 70 Cb -0.04 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 33.98 1q2u s VAL 70 CO 0.01 0.48 -0.04 -0.69 0.00 0.00 0.00 175.10 174.86 1q2u s VAL 71 N 1.10 3.88 -0.32 2.92 1.01 0.16 -1.01 120.40 128.15 1q2u s VAL 71 Ca 0.01 -0.36 -0.03 0.00 0.00 0.00 0.00 61.98 61.60 1q2u s VAL 71 Cb -0.15 -2.71 0.06 0.00 0.00 0.00 0.00 36.38 33.59 1q2u s VAL 71 CO -0.02 0.49 0.05 -0.76 0.00 0.00 0.00 175.10 174.85 1q2u s LEU 72 N 0.43 4.18 1.00 3.92 1.43 0.10 -2.22 118.68 127.52 1q2u s LEU 72 Ca -0.04 -1.38 -0.12 0.00 -1.03 0.00 0.00 54.13 51.56 1q2u s LEU 72 Cb -0.14 -1.75 0.19 0.00 0.03 0.00 0.00 46.19 44.52 1q2u s LEU 72 CO 0.03 -0.31 1.09 -2.84 0.23 0.00 0.00 176.35 174.55 1q2u s PRO 73 N 1.25 0.39 0.00 1.29 0.02 -1.26 -2.11 135.00 134.58 1q2u s PRO 73 Ca -0.02 0.51 0.00 0.00 0.02 0.00 0.00 61.00 61.51 1q2u s PRO 73 Cb -0.20 -1.73 0.00 0.00 0.02 0.00 0.00 34.50 32.59 1q2u s PRO 73 CO -0.01 -2.76 0.00 0.41 -0.33 0.00 0.00 177.00 174.31 1q2u n GLY 74 N -1.07 1.70 0.04 0.52 0.00 -1.10 -3.97 105.19 101.31 1q2u n GLY 74 Ca 0.05 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.25 1q2u n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q2u n GLY 75 N 5.00 0.86 0.22 -0.02 0.00 -1.26 -1.41 105.19 108.58 1q2u n GLY 75 Ca 0.00 -1.22 -0.10 0.00 0.00 0.00 0.00 46.02 44.69 1q2u n GLY 75 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1q2u h ASN 76 N 0.00 -0.53 -0.21 1.61 2.35 -1.95 0.68 115.58 117.53 1q2u h ASN 76 Ca 0.00 0.08 -0.09 0.00 -0.55 0.00 0.00 56.30 55.74 1q2u h ASN 76 Cb 0.00 0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 1q2u h ASN 76 CO 0.00 -0.23 -0.17 -0.07 -1.65 0.00 0.00 177.43 175.30 1q2u h LEU 77 N -0.26 0.64 -0.42 1.61 4.07 -1.89 -1.44 115.31 117.62 1q2u h LEU 77 Ca 0.07 -0.20 -0.03 0.00 0.08 0.00 0.00 57.88 57.80 1q2u h LEU 77 Cb 0.36 -0.17 -0.02 0.00 1.08 0.00 0.00 40.66 41.91 1q2u h LEU 77 CO -0.20 0.82 0.13 1.23 -1.08 0.00 0.00 178.44 179.34 1q2u h GLY 78 N 0.98 0.70 1.41 0.83 0.00 -1.10 -1.66 103.07 104.23 1q2u h GLY 78 Ca 0.09 -0.42 -0.07 0.00 0.00 0.00 0.00 47.33 46.93 1q2u h GLY 78 CO 0.04 0.39 -0.03 0.00 0.00 0.00 0.00 176.54 176.94 1q2u h ALA 79 N 0.98 1.14 -0.59 3.60 0.00 -0.67 -1.48 119.26 122.25 1q2u h ALA 79 Ca 0.13 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1q2u h ALA 79 Cb 0.27 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1q2u h ALA 79 CO -0.00 0.55 0.17 0.37 0.00 0.00 0.00 179.25 180.33 1q2u h GLN 80 N 0.67 0.93 -0.50 0.00 5.75 -1.02 0.15 115.11 121.09 1q2u h GLN 80 Ca 0.13 -0.21 -0.06 0.00 -0.15 0.00 0.00 58.65 58.35 1q2u h GLN 80 Cb 0.46 -0.13 -0.02 0.00 1.07 0.00 0.00 27.48 28.86 1q2u h GLN 80 CO 0.02 0.84 0.05 -0.91 -2.65 0.00 0.00 178.83 176.18 1q2u h ASN 81 N 0.84 0.76 -0.50 -0.69 2.35 -0.85 -1.22 115.58 116.27 1q2u h ASN 81 Ca 0.19 -0.17 -0.12 0.00 -0.55 0.00 0.00 56.30 55.65 1q2u h ASN 81 Cb 0.31 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 1q2u h ASN 81 CO -0.00 0.80 -0.15 -0.07 -1.65 0.00 0.00 177.43 176.35 1q2u h LEU 82 N 0.76 1.00 -1.54 1.61 3.38 -0.79 -2.83 115.31 116.90 1q2u h LEU 82 Ca 0.15 -0.37 -0.05 0.00 0.09 0.00 0.00 57.88 57.70 1q2u h LEU 82 Cb 0.39 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1q2u h LEU 82 CO 0.01 1.15 -0.23 0.28 0.09 0.00 0.00 178.44 179.74 1q2u h SER 83 N 0.85 0.00 0.26 -0.43 0.02 -0.19 -2.75 113.55 111.32 1q2u h SER 83 Ca 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 1q2u h SER 83 Cb 0.72 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.26 1q2u h SER 83 CO 0.06 0.23 -0.33 -0.62 -1.14 0.00 0.00 176.83 175.03 1q2u n GLU 84 N -4.26 0.70 -2.84 3.45 1.02 -0.51 -4.78 120.64 113.42 1q2u n GLU 84 Ca -0.02 -0.43 -0.42 0.00 -0.02 0.00 0.00 57.16 56.27 1q2u n GLU 84 Cb 0.29 -1.49 -0.04 0.00 -0.02 0.00 0.00 31.44 30.18 1q2u n GLU 84 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1q2u s SER 85 N -2.59 6.90 0.31 1.62 0.15 -1.04 -4.93 113.70 114.12 1q2u s SER 85 Ca 0.21 1.13 0.06 0.00 0.70 0.00 0.00 55.95 58.05 1q2u s SER 85 Cb 0.19 -2.46 0.50 0.00 -1.71 0.00 0.00 66.02 62.54 1q2u s SER 85 CO 0.56 -0.53 1.74 0.00 1.20 0.00 0.00 173.24 176.21 1q2u h ALA 86 N 7.58 1.17 -0.55 5.45 0.00 -1.90 -2.13 119.26 128.88 1q2u h ALA 86 Ca -0.23 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.26 1q2u h ALA 86 Cb 1.09 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1q2u h ALA 86 CO 0.89 0.54 0.15 0.00 0.00 0.00 0.00 179.25 180.83 1q2u h ALA 87 N 1.41 0.72 -0.63 0.00 0.00 -1.95 -2.15 119.26 116.67 1q2u h ALA 87 Ca 0.03 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1q2u h ALA 87 Cb 0.72 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 1q2u h ALA 87 CO 0.05 0.41 0.12 0.28 0.00 0.00 0.00 179.25 180.11 1q2u h VAL 88 N 0.77 1.26 -0.59 0.00 2.07 -1.78 -1.96 116.25 116.02 1q2u h VAL 88 Ca 0.17 -0.99 0.04 0.00 0.82 0.00 0.00 66.70 66.74 1q2u h VAL 88 Cb 0.32 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.73 1q2u h VAL 88 CO -0.00 0.37 0.33 0.50 0.02 0.00 0.00 177.57 178.79 1q2u h LYS 89 N 0.94 0.62 -0.48 1.57 3.64 -1.11 -0.31 116.57 121.45 1q2u h LYS 89 Ca 0.19 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 1q2u h LYS 89 Cb 0.41 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 1q2u h LYS 89 CO 0.01 0.41 0.22 1.49 -2.27 0.00 0.00 179.45 179.31 1q2u h GLU 90 N 0.64 0.69 -0.51 1.90 4.81 -1.13 0.10 114.58 121.07 1q2u h GLU 90 Ca 0.25 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 59.34 1q2u h GLU 90 Cb 0.10 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 1q2u h GLU 90 CO -0.14 0.59 0.17 0.82 -0.73 0.00 0.00 179.01 179.72 1q2u h ILE 91 N 0.63 1.23 -0.42 2.32 2.04 -0.90 -1.01 117.51 121.40 1q2u h ILE 91 Ca 0.16 -0.75 -0.15 0.00 1.00 0.00 0.00 64.86 65.12 1q2u h ILE 91 Cb 0.13 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1q2u h ILE 91 CO -0.02 0.28 -0.32 -0.07 0.00 0.00 0.00 178.15 178.02 1q2u h LEU 92 N 0.70 0.99 -0.43 1.44 3.38 -0.91 -0.96 115.31 119.52 1q2u h LEU 92 Ca 0.17 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 1q2u h LEU 92 Cb 0.26 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1q2u h LEU 92 CO -0.01 1.22 0.23 0.11 0.09 0.00 0.00 178.44 180.08 1q2u h LYS 93 N 0.79 0.60 -0.32 1.13 1.79 -0.84 0.39 116.57 120.10 1q2u h LYS 93 Ca 0.08 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.47 1q2u h LYS 93 Cb 0.90 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 31.42 1q2u h LYS 93 CO 0.08 0.49 0.17 1.49 -1.08 0.00 0.00 179.45 180.60 1q2u h GLU 94 N 0.55 0.45 -0.74 3.15 4.81 -1.07 0.12 114.58 121.85 1q2u h GLU 94 Ca 0.15 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.30 1q2u h GLU 94 Cb 0.07 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 1q2u h GLU 94 CO -0.02 0.38 0.36 0.37 -0.73 0.00 0.00 179.01 179.37 1q2u h GLN 95 N 0.39 1.06 -0.50 1.92 5.75 -0.93 -1.50 115.11 121.30 1q2u h GLN 95 Ca 0.11 -0.15 -0.06 0.00 -0.15 0.00 0.00 58.65 58.40 1q2u h GLN 95 Cb 0.07 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.40 1q2u h GLN 95 CO -0.02 0.83 0.08 1.49 -2.65 0.00 0.00 178.83 178.56 1q2u h GLU 96 N 1.04 0.83 -0.46 1.69 4.81 -0.66 0.13 114.58 121.96 1q2u h GLU 96 Ca 0.26 -0.22 -0.05 0.00 -0.13 0.00 0.00 59.36 59.21 1q2u h GLU 96 Cb 0.11 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 1q2u h GLU 96 CO -0.03 0.83 0.09 -0.91 -0.73 0.00 0.00 179.01 178.25 1q2u h ASN 97 N 0.71 0.66 -0.19 1.04 2.35 -0.61 -2.09 115.58 117.46 1q2u h ASN 97 Ca 0.15 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1q2u h ASN 97 Cb 0.40 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.59 1q2u h ASN 97 CO 0.01 0.67 0.00 -2.11 -1.65 0.00 0.00 177.43 174.35 1q2u n ARG 98 N -4.28 1.60 -3.39 0.81 1.85 -0.60 -4.91 116.66 107.73 1q2u n ARG 98 Ca 0.03 -0.92 -0.18 0.00 -1.00 0.00 0.00 57.85 55.78 1q2u n ARG 98 Cb 0.23 -1.31 0.08 0.00 -1.05 0.00 0.00 32.46 30.40 1q2u n ARG 98 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1q2u n LYS 99 N 0.17 -6.62 -3.98 2.89 5.02 -0.79 -5.02 118.16 109.84 1q2u n LYS 99 Ca 0.13 0.76 -0.25 0.00 -2.02 0.00 0.00 58.31 56.93 1q2u n LYS 99 Cb 0.26 -5.57 -0.03 0.00 -0.02 0.00 0.00 35.03 29.67 1q2u n LYS 99 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1q2u s GLY 100 N -3.78 1.63 0.29 0.72 0.00 0.42 -5.03 107.32 101.57 1q2u s GLY 100 Ca 0.26 -1.10 -0.29 0.00 0.00 0.00 0.00 44.72 43.58 1q2u s GLY 100 CO 0.66 -1.11 1.23 -2.27 0.00 0.00 0.00 173.10 171.62 1q2u s LEU 101 N -3.33 4.47 -0.08 0.66 2.96 -1.22 -4.56 118.68 117.58 1q2u s LEU 101 Ca 0.34 2.50 0.02 0.00 -0.22 0.00 0.00 54.13 56.77 1q2u s LEU 101 Cb -0.10 -3.64 0.01 0.00 0.50 0.00 0.00 46.19 42.96 1q2u s LEU 101 CO 0.28 -0.40 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.15 1q2u s ILE 102 N -0.96 1.25 -0.09 6.68 1.01 -0.30 -2.05 121.20 126.74 1q2u s ILE 102 Ca 0.48 -0.52 0.03 0.00 0.00 0.00 0.00 60.65 60.65 1q2u s ILE 102 Cb -0.37 -1.15 0.01 0.00 0.01 0.00 0.00 42.46 40.96 1q2u s ILE 102 CO 0.47 0.39 -0.17 0.00 0.00 0.00 0.00 174.94 175.62 1q2u s ALA 103 N 0.87 1.72 0.00 9.38 0.00 -0.18 -0.92 121.76 132.64 1q2u s ALA 103 Ca -0.10 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.16 1q2u s ALA 103 Cb -0.15 -0.73 -0.00 0.00 0.00 0.00 0.00 23.12 22.24 1q2u s ALA 103 CO 0.01 0.13 -0.03 0.00 0.00 0.00 0.00 175.76 175.87 1q2u s ALA 104 N 0.62 0.24 0.09 0.00 0.00 -0.08 0.03 121.76 122.66 1q2u s ALA 104 Ca -0.14 -0.19 0.06 0.00 0.00 0.00 0.00 51.96 51.68 1q2u s ALA 104 Cb -0.16 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.89 1q2u s ALA 104 CO 0.04 0.04 -0.16 -1.50 0.00 0.00 0.00 175.76 174.18 1q2u s ILE 105 N -0.25 1.27 0.00 0.00 2.07 -0.90 -1.84 121.20 121.56 1q2u s ILE 105 Ca -0.01 -1.42 0.00 0.00 -1.41 0.00 0.00 60.65 57.81 1q2u s ILE 105 Cb -0.02 -1.24 0.00 0.00 0.13 0.00 0.00 42.46 41.32 1q2u s ILE 105 CO -0.00 -0.22 0.00 0.00 -1.91 0.00 0.00 174.94 172.81 1q2u n ALA 107 N 9.82 3.23 -0.34 0.00 0.00 -1.26 -1.70 120.51 130.25 1q2u n ALA 107 Ca 0.00 -0.30 0.15 0.00 0.00 0.00 0.00 53.44 53.29 1q2u n ALA 107 Cb 0.00 -1.14 0.35 0.00 0.00 0.00 0.00 19.45 18.66 1q2u n ALA 107 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1q2u h GLY 108 N 4.75 1.81 1.94 0.00 0.00 -1.07 -1.06 103.07 109.45 1q2u h GLY 108 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1q2u h GLY 108 CO 0.00 -0.18 0.02 -2.55 0.00 0.00 0.00 176.54 173.83 1q2u h PRO 109 N 0.62 0.00 0.00 4.80 0.11 -1.75 -1.36 132.00 134.43 1q2u h PRO 109 Ca 0.61 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.72 1q2u h PRO 109 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1q2u h PRO 109 CO -0.45 0.00 0.00 1.79 -0.21 0.00 0.00 178.00 179.13 1q2u h THR 110 N 0.00 0.00 0.00 -1.15 1.35 -1.50 0.20 112.91 111.81 1q2u h THR 110 Ca 0.01 -0.19 -0.12 0.00 -0.55 0.00 0.00 66.41 65.55 1q2u h THR 110 Cb 0.05 0.97 -0.02 0.00 -1.73 0.00 0.00 68.15 67.43 1q2u h THR 110 CO -0.00 0.00 -0.58 0.00 -0.25 0.00 0.00 175.52 174.69 1q2u h ALA 111 N 2.09 0.94 -0.51 6.62 0.00 -1.41 -2.02 119.26 124.97 1q2u h ALA 111 Ca 0.00 -0.53 -0.11 0.00 0.00 0.00 0.00 54.91 54.27 1q2u h ALA 111 Cb 0.23 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1q2u h ALA 111 CO 0.00 0.73 -0.10 -0.07 0.00 0.00 0.00 179.25 179.81 1q2u h LEU 112 N 0.00 0.94 -0.17 0.00 3.38 -1.10 -1.92 115.31 116.44 1q2u h LEU 112 Ca -0.01 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 1q2u h LEU 112 Cb 1.10 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1q2u h LEU 112 CO 0.08 1.06 0.01 0.25 0.09 0.00 0.00 178.44 179.92 1q2u h LEU 113 N 0.85 0.29 -1.45 1.67 5.85 -1.41 0.32 115.31 121.42 1q2u h LEU 113 Ca 0.14 -0.29 0.09 0.00 0.84 0.00 0.00 57.88 58.66 1q2u h LEU 113 Cb 0.64 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.55 1q2u h LEU 113 CO 0.04 0.51 0.47 0.00 -0.34 0.00 0.00 178.44 179.13 1q2u h ALA 114 N 0.79 1.85 -0.57 1.25 0.00 -1.20 -1.46 119.26 119.91 1q2u h ALA 114 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1q2u h ALA 114 Cb 0.36 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1q2u h ALA 114 CO 0.01 0.01 0.00 0.72 0.00 0.00 0.00 179.25 179.98 1q2u n HIS 115 N -4.49 1.57 -3.97 0.00 8.25 -0.74 -4.97 115.22 110.88 1q2u n HIS 115 Ca 0.12 -0.68 -0.27 0.00 -0.26 0.00 0.00 57.72 56.63 1q2u n HIS 115 Cb 0.33 -0.33 -0.02 0.00 1.12 0.00 0.00 29.99 31.09 1q2u n HIS 115 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 1q2u n GLU 116 N 0.75 -2.83 -4.00 -0.41 1.02 -0.53 -4.94 120.64 109.70 1q2u n GLU 116 Ca 0.25 0.37 -0.35 0.00 -0.02 0.00 0.00 57.16 57.41 1q2u n GLU 116 Cb 0.97 -4.35 -0.09 0.00 -0.02 0.00 0.00 31.44 27.95 1q2u n GLU 116 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1q2u s ILE 117 N -3.95 4.89 -1.65 -3.67 -1.09 0.10 -4.62 121.20 111.21 1q2u s ILE 117 Ca 0.05 -0.00 -0.02 0.00 -2.23 0.00 0.00 60.65 58.45 1q2u s ILE 117 Cb -0.02 -3.18 0.00 0.00 -1.58 0.00 0.00 42.46 37.68 1q2u s ILE 117 CO 0.90 0.49 0.24 0.61 -1.23 0.00 0.00 174.94 175.95 1q2u n GLY 118 N 3.19 -0.51 3.68 6.18 0.00 -1.26 -4.64 105.19 111.84 1q2u n GLY 118 Ca -0.17 0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 1q2u n GLY 118 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1q2u n PHE 119 N -4.16 2.05 0.00 1.61 0.99 -1.26 -1.89 117.46 114.80 1q2u n PHE 119 Ca -0.19 0.55 0.00 0.00 -0.00 0.00 0.00 57.45 57.81 1q2u n PHE 119 Cb 0.66 -2.37 0.00 0.00 -1.00 0.00 0.00 39.48 36.76 1q2u n PHE 119 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1q2u n GLY 120 N 0.86 1.38 3.81 1.37 0.00 0.12 -5.02 105.19 107.70 1q2u n GLY 120 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 1q2u n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1q2u s SER 121 N -1.69 6.22 -0.08 1.61 0.01 -0.79 -4.67 113.70 114.30 1q2u s SER 121 Ca 0.00 1.78 -0.23 0.00 1.31 0.00 0.00 55.95 58.81 1q2u s SER 121 Cb 0.00 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.66 1q2u s SER 121 CO 0.00 -0.87 0.69 -0.75 0.41 0.00 0.00 173.24 172.73 1q2u s LYS 122 N -3.78 4.42 0.10 12.44 2.20 -1.26 -2.03 119.74 131.83 1q2u s LYS 122 Ca 0.63 0.86 -0.02 0.00 -0.36 0.00 0.00 55.97 57.09 1q2u s LYS 122 Cb -0.14 -3.46 -0.04 0.00 -1.51 0.00 0.00 37.83 32.68 1q2u s LYS 122 CO 0.29 0.04 0.03 0.14 -0.36 0.00 0.00 175.35 175.49 1q2u s VAL 123 N 0.90 0.15 0.21 4.02 -7.23 -0.04 -4.41 120.40 114.00 1q2u s VAL 123 Ca 0.37 -1.83 0.04 0.00 -1.81 0.00 0.00 61.98 58.75 1q2u s VAL 123 Cb -0.17 -1.80 -0.05 0.00 0.56 0.00 0.00 36.38 34.91 1q2u s VAL 123 CO 0.17 -0.68 -0.02 0.28 -0.31 0.00 0.00 175.10 174.54 1q2u s THR 124 N -3.99 1.04 0.29 5.32 -1.32 -1.26 -0.21 115.64 115.51 1q2u s THR 124 Ca 0.16 -2.04 -0.06 0.00 -1.21 0.00 0.00 61.69 58.54 1q2u s THR 124 Cb 0.07 -2.22 0.03 0.00 -1.51 0.00 0.00 72.50 68.87 1q2u s THR 124 CO -0.03 -0.42 0.50 0.35 -2.21 0.00 0.00 174.62 172.80 1q2u n THR 125 N -0.36 0.00 -2.17 5.08 -2.24 -1.26 -4.26 114.28 109.07 1q2u n THR 125 Ca -0.06 -1.09 -0.37 0.00 -2.27 0.00 0.00 64.05 60.26 1q2u n THR 125 Cb 0.63 0.81 -0.00 0.00 -2.10 0.00 0.00 70.33 69.67 1q2u n THR 125 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1q2u s HIS 126 N -3.55 2.79 0.36 4.78 2.46 -0.69 -4.48 115.29 116.96 1q2u s HIS 126 Ca 0.18 1.50 0.13 0.00 0.47 0.00 0.00 55.06 57.34 1q2u s HIS 126 Cb -0.02 -3.46 0.96 0.00 -0.13 0.00 0.00 32.58 29.92 1q2u s HIS 126 CO 0.13 -1.75 1.77 -1.35 -2.47 0.00 0.00 174.74 171.07 1q2u h PRO 127 N 2.01 0.52 0.00 2.88 0.11 -1.93 0.85 132.00 136.44 1q2u h PRO 127 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1q2u h PRO 127 Cb 1.26 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1q2u h PRO 127 CO 0.60 0.34 0.00 1.28 -0.21 0.00 0.00 178.00 180.01 1q2u n LEU 128 N -4.70 0.00 -0.74 2.35 4.77 -1.26 -2.77 117.00 114.66 1q2u n LEU 128 Ca 0.24 0.50 0.10 0.00 -0.03 0.00 0.00 56.01 56.82 1q2u n LEU 128 Cb 0.74 -0.50 0.07 0.00 -2.33 0.00 0.00 43.42 41.41 1q2u n LEU 128 CO 0.23 -0.12 0.53 0.00 -1.33 0.00 0.00 177.39 176.69 1q2u n ALA 129 N -1.50 2.56 0.09 -1.18 0.00 0.28 -4.63 120.51 116.13 1q2u n ALA 129 Ca 0.05 -0.65 -0.12 0.00 0.00 0.00 0.00 53.44 52.73 1q2u n ALA 129 Cb 0.25 -0.65 -0.05 0.00 0.00 0.00 0.00 19.45 19.00 1q2u n ALA 129 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1q2u h LYS 130 N 3.61 -0.29 -0.88 0.00 3.64 -1.33 -1.94 116.57 119.38 1q2u h LYS 130 Ca 0.00 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.47 1q2u h LYS 130 Cb 0.79 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.61 1q2u h LYS 130 CO 0.00 -0.20 0.54 -0.44 -2.27 0.00 0.00 179.45 177.09 1q2u h ASP 131 N -0.30 0.84 -0.26 4.20 3.32 -1.82 0.09 116.42 122.49 1q2u h ASP 131 Ca 0.03 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 1q2u h ASP 131 Cb 0.34 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 1q2u h ASP 131 CO -0.11 0.53 0.09 0.50 -1.72 0.00 0.00 179.24 178.53 1q2u h LYS 132 N 0.97 0.40 -0.47 3.56 3.64 -1.83 -2.64 116.57 120.19 1q2u h LYS 132 Ca 0.39 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.66 1q2u h LYS 132 Cb 0.21 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 1q2u h LYS 132 CO -0.19 0.46 0.18 1.98 -2.27 0.00 0.00 179.45 179.61 1q2u h MET 133 N 0.26 0.68 -0.14 1.90 4.05 -0.75 -2.88 114.93 118.05 1q2u h MET 133 Ca 0.08 -0.10 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 1q2u h MET 133 Cb 0.22 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 30.89 1q2u h MET 133 CO -0.00 0.57 0.00 -1.33 0.23 0.00 0.00 176.91 176.37 1q2u n MET 134 N -4.35 1.67 -1.68 0.39 2.81 -0.04 -4.74 117.12 111.18 1q2u n MET 134 Ca 0.04 -1.00 -0.43 0.00 -1.81 0.00 0.00 57.70 54.50 1q2u n MET 134 Cb 0.16 -1.40 -0.03 0.00 -0.71 0.00 0.00 33.22 31.24 1q2u n MET 134 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 1q2u s ASN 135 N -1.61 5.52 0.00 7.83 3.04 -1.01 -0.52 114.94 128.18 1q2u s ASN 135 Ca 0.33 1.77 0.00 0.00 0.04 0.00 0.00 52.86 55.00 1q2u s ASN 135 Cb 0.17 -2.51 0.00 0.00 -1.54 0.00 0.00 41.25 37.37 1q2u s ASN 135 CO 0.27 -1.93 0.00 0.61 -3.04 0.00 0.00 177.10 173.00 1q2u n GLY 136 N 5.71 1.30 2.69 1.21 0.00 -1.26 -4.54 105.19 110.29 1q2u n GLY 136 Ca 0.29 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.13 1q2u n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q2u n GLY 137 N -1.64 -0.25 0.06 -0.02 0.00 0.32 -4.91 105.19 98.75 1q2u n GLY 137 Ca 0.00 -0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.06 1q2u n GLY 137 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1q2u n HIS 138 N -4.21 0.53 -4.33 1.61 8.25 -1.26 -4.83 115.22 110.97 1q2u n HIS 138 Ca -0.10 0.16 -0.17 0.00 -0.26 0.00 0.00 57.72 57.35 1q2u n HIS 138 Cb 0.60 -0.76 -0.10 0.00 1.12 0.00 0.00 29.99 30.85 1q2u n HIS 138 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1q2u s TYR 139 N -3.06 1.58 -0.17 4.41 1.51 -1.26 0.10 117.35 120.45 1q2u s TYR 139 Ca 0.12 -0.95 -0.04 0.00 -1.01 0.00 0.00 57.07 55.19 1q2u s TYR 139 Cb 0.15 -0.93 -0.02 0.00 -0.11 0.00 0.00 41.96 41.05 1q2u s TYR 139 CO 0.56 -0.07 -0.04 0.99 -1.11 0.00 0.00 175.55 175.88 1q2u s THR 140 N -3.44 3.79 0.37 -0.71 2.01 -0.86 -4.97 115.64 111.83 1q2u s THR 140 Ca 0.30 -0.38 -0.24 0.00 0.31 0.00 0.00 61.69 61.68 1q2u s THR 140 Cb 0.06 -2.67 -0.10 0.00 0.01 0.00 0.00 72.50 69.79 1q2u s THR 140 CO 0.09 0.47 0.94 -0.47 -0.69 0.00 0.00 174.62 174.97 1q2u s TYR 141 N 0.61 3.51 0.04 4.92 5.04 -1.26 -0.86 117.35 129.35 1q2u s TYR 141 Ca -0.03 1.70 0.03 0.00 -2.44 0.00 0.00 57.07 56.33 1q2u s TYR 141 Cb -0.14 -2.88 -0.02 0.00 0.35 0.00 0.00 41.96 39.26 1q2u s TYR 141 CO 0.02 0.06 -0.10 0.45 -1.34 0.00 0.00 175.55 174.65 1q2u s SER 142 N -1.89 1.10 0.00 4.32 0.15 0.70 -4.83 113.70 113.26 1q2u s SER 142 Ca 0.56 -0.48 0.17 0.00 0.70 0.00 0.00 55.95 56.90 1q2u s SER 142 Cb -0.14 -0.02 0.41 0.00 -1.71 0.00 0.00 66.02 64.57 1q2u s SER 142 CO 0.19 -0.10 1.33 -0.62 1.20 0.00 0.00 173.24 175.24 1q2u n GLU 143 N 1.72 2.51 -2.10 5.44 1.02 -1.26 -4.35 120.64 123.62 1q2u n GLU 143 Ca -0.20 -2.21 -0.39 0.00 -0.02 0.00 0.00 57.16 54.34 1q2u n GLU 143 Cb 0.55 -1.41 -0.01 0.00 -0.02 0.00 0.00 31.44 30.55 1q2u n GLU 143 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1q2u s ASN 144 N -1.11 6.29 0.40 1.62 0.01 -1.26 -4.90 114.94 115.99 1q2u s ASN 144 Ca 0.34 2.58 0.07 0.00 -0.71 0.00 0.00 52.86 55.14 1q2u s ASN 144 Cb 0.18 -2.63 0.84 0.00 0.41 0.00 0.00 41.25 40.06 1q2u s ASN 144 CO 0.25 -0.86 2.04 0.03 -1.51 0.00 0.00 177.10 177.05 1q2u h ARG 145 N 2.57 0.57 -4.02 -0.60 3.08 -1.95 -3.39 114.38 110.65 1q2u h ARG 145 Ca -0.49 -0.03 -0.40 0.00 0.07 0.00 0.00 59.98 59.12 1q2u h ARG 145 Cb 1.25 -0.13 -0.34 0.00 0.08 0.00 0.00 29.97 30.83 1q2u h ARG 145 CO 0.62 0.38 -0.77 0.08 -1.07 0.00 0.00 179.97 179.21 1q2u s VAL 146 N -5.53 0.50 -0.05 2.04 1.01 -1.26 -2.95 120.40 114.16 1q2u s VAL 146 Ca -0.09 -0.11 0.05 0.00 0.00 0.00 0.00 61.98 61.83 1q2u s VAL 146 Cb 0.18 -0.52 -0.01 0.00 0.00 0.00 0.00 36.38 36.03 1q2u s VAL 146 CO 0.74 0.21 -0.21 -0.70 0.00 0.00 0.00 175.10 175.14 1q2u s GLU 147 N 0.84 2.21 -0.15 2.72 2.56 0.26 -5.00 118.70 122.15 1q2u s GLU 147 Ca -0.11 -0.77 -0.02 0.00 0.00 0.00 0.00 54.97 54.07 1q2u s GLU 147 Cb -0.14 -1.88 0.05 0.00 2.00 0.00 0.00 34.13 34.16 1q2u s GLU 147 CO 0.00 0.31 0.02 0.21 -0.56 0.00 0.00 175.26 175.24 1q2u s LYS 148 N -0.05 0.68 -0.49 4.30 2.20 -1.26 -0.33 119.74 124.79 1q2u s LYS 148 Ca -0.04 -0.22 0.02 0.00 -0.36 0.00 0.00 55.97 55.37 1q2u s LYS 148 Cb -0.13 -1.68 0.13 0.00 -1.51 0.00 0.00 37.83 34.64 1q2u s LYS 148 CO 0.03 -0.50 0.24 0.34 -0.36 0.00 0.00 175.35 175.10 1q2u s ASP 149 N 1.89 4.64 1.82 1.43 -1.08 -0.52 -5.01 116.67 119.85 1q2u s ASP 149 Ca 0.02 -2.73 0.00 0.00 -0.52 0.00 0.00 52.55 49.31 1q2u s ASP 149 Cb -0.15 -1.69 0.00 0.00 -1.46 0.00 0.00 42.92 39.62 1q2u s ASP 149 CO -0.07 -0.31 0.00 0.61 0.52 0.00 0.00 175.17 175.92 1q2u n GLY 150 N 3.53 3.77 0.53 2.66 0.00 -1.26 -2.13 105.19 112.29 1q2u n GLY 150 Ca 0.05 -0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.11 1q2u n GLY 150 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1q2u n LEU 151 N 0.00 1.55 -4.18 0.99 4.77 -1.26 -4.71 117.00 114.16 1q2u n LEU 151 Ca 0.00 -0.75 -0.35 0.00 -0.03 0.00 0.00 56.01 54.87 1q2u n LEU 151 Cb 0.00 -0.18 -0.14 0.00 -2.33 0.00 0.00 43.42 40.78 1q2u n LEU 151 CO 0.00 0.38 -0.35 -0.63 -1.33 0.00 0.00 177.39 175.46 1q2u s ILE 152 N -1.65 3.05 -0.19 -0.08 -1.09 -0.90 -1.15 121.20 119.19 1q2u s ILE 152 Ca 0.22 -1.37 -0.02 0.00 -2.23 0.00 0.00 60.65 57.25 1q2u s ILE 152 Cb 0.12 -2.76 -0.00 0.00 -1.58 0.00 0.00 42.46 38.23 1q2u s ILE 152 CO 0.16 -0.12 -0.09 -0.22 -1.23 0.00 0.00 174.94 173.44 1q2u s LEU 153 N 1.26 2.72 0.22 2.97 0.20 -0.10 -1.43 118.68 124.52 1q2u s LEU 153 Ca -0.05 -0.43 0.07 0.00 0.69 0.00 0.00 54.13 54.42 1q2u s LEU 153 Cb -0.20 -1.66 -0.05 0.00 -0.43 0.00 0.00 46.19 43.85 1q2u s LEU 153 CO -0.01 0.02 -0.12 0.42 -0.29 0.00 0.00 176.35 176.38 1q2u s THR 154 N 1.21 1.67 0.26 3.68 -4.23 0.56 -0.90 115.64 117.89 1q2u s THR 154 Ca 0.02 -2.18 -0.07 0.00 -1.18 0.00 0.00 61.69 58.28 1q2u s THR 154 Cb -0.14 -2.15 -0.01 0.00 1.34 0.00 0.00 72.50 71.54 1q2u s THR 154 CO -0.03 -0.52 0.38 -0.55 -0.54 0.00 0.00 174.62 173.36 1q2u s SER 155 N -3.34 0.21 -0.15 3.99 0.15 -0.77 -0.57 113.70 113.23 1q2u s SER 155 Ca 0.24 -1.19 0.06 0.00 0.70 0.00 0.00 55.95 55.77 1q2u s SER 155 Cb 0.01 0.55 -0.23 0.00 -1.71 0.00 0.00 66.02 64.63 1q2u s SER 155 CO 0.08 -1.09 0.25 0.54 1.20 0.00 0.00 173.24 174.22 1q2u n ARG 156 N -0.39 0.68 -1.99 5.44 1.74 -1.15 -1.27 116.66 119.72 1q2u n ARG 156 Ca 0.00 0.18 0.00 0.00 -0.77 0.00 0.00 57.85 57.27 1q2u n ARG 156 Cb 0.63 -1.65 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 1q2u n ARG 156 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1q2u n GLY 157 N 1.87 0.62 0.29 -0.13 0.00 -1.26 -2.66 105.19 103.92 1q2u n GLY 157 Ca -0.31 -0.85 0.07 0.00 0.00 0.00 0.00 46.02 44.93 1q2u n GLY 157 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1q2u h PRO 158 N 0.00 0.52 0.00 1.61 0.11 -1.99 -0.36 132.00 131.90 1q2u h PRO 158 Ca -0.01 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1q2u h PRO 158 Cb 0.08 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.07 1q2u h PRO 158 CO 0.02 0.35 0.00 0.41 -0.21 0.00 0.00 178.00 178.57 1q2u n GLY 159 N -1.32 -0.82 0.31 -0.55 0.00 -1.26 -1.90 105.19 99.64 1q2u n GLY 159 Ca 0.16 -0.06 0.03 0.00 0.00 0.00 0.00 46.02 46.15 1q2u n GLY 159 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1q2u n THR 160 N -1.36 0.61 -0.37 2.61 -2.24 -0.17 -4.73 114.28 108.62 1q2u n THR 160 Ca 0.05 -0.80 0.01 0.00 -2.27 0.00 0.00 64.05 61.04 1q2u n THR 160 Cb 0.13 0.74 0.15 0.00 -2.10 0.00 0.00 70.33 69.25 1q2u n THR 160 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1q2u h SER 161 N 1.13 1.08 -0.36 3.42 0.02 -1.03 0.46 113.55 118.27 1q2u h SER 161 Ca 0.00 -0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.87 1q2u h SER 161 Cb 0.48 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 1q2u h SER 161 CO 0.00 0.72 -0.07 -0.26 -1.14 0.00 0.00 176.83 176.09 1q2u h PHE 162 N 1.24 0.76 -0.67 3.45 -1.00 -1.85 0.13 116.94 119.00 1q2u h PHE 162 Ca 0.41 -0.16 -0.01 0.00 2.81 0.00 0.00 57.97 61.03 1q2u h PHE 162 Cb 0.05 -0.19 -0.03 0.00 3.61 0.00 0.00 35.95 39.39 1q2u h PHE 162 CO -0.00 0.82 0.40 0.93 -1.61 0.00 0.00 178.31 178.85 1q2u h GLU 163 N 0.48 0.92 0.03 1.51 5.08 -1.79 0.31 114.58 121.12 1q2u h GLU 163 Ca 0.09 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1q2u h GLU 163 Cb 0.57 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1q2u h GLU 163 CO 0.03 0.66 -0.02 0.35 -1.00 0.00 0.00 179.01 179.04 1q2u h PHE 164 N 0.91 -0.04 -0.51 4.33 3.57 -0.76 -0.80 116.94 123.63 1q2u h PHE 164 Ca 0.24 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.73 1q2u h PHE 164 Cb -0.01 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 1q2u h PHE 164 CO -0.01 0.01 0.28 0.00 -2.23 0.00 0.00 178.31 176.36 1q2u h ALA 165 N 0.88 0.66 0.00 2.41 0.00 -0.66 -1.90 119.26 120.64 1q2u h ALA 165 Ca -0.00 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1q2u h ALA 165 Cb 0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1q2u h ALA 165 CO 0.01 0.18 -0.30 -0.07 0.00 0.00 0.00 179.25 179.08 1q2u h LEU 166 N 0.69 0.00 -0.53 0.00 3.38 -0.82 -1.02 115.31 117.01 1q2u h LEU 166 Ca 0.18 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.00 1q2u h LEU 166 Cb 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1q2u h LEU 166 CO -0.03 0.30 -0.39 0.00 0.09 0.00 0.00 178.44 178.40 1q2u h ALA 167 N 1.70 0.71 -0.35 1.53 0.00 -0.63 -0.73 119.26 121.50 1q2u h ALA 167 Ca -0.00 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 1q2u h ALA 167 Cb 0.58 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1q2u h ALA 167 CO 0.04 0.66 -0.03 0.82 0.00 0.00 0.00 179.25 180.74 1q2u h ILE 168 N 0.62 1.27 -0.70 0.00 2.04 -0.71 -1.35 117.51 118.68 1q2u h ILE 168 Ca 0.05 -1.03 0.01 0.00 1.00 0.00 0.00 64.86 64.88 1q2u h ILE 168 Cb 0.94 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 38.23 1q2u h ILE 168 CO 0.09 0.34 0.46 0.58 0.00 0.00 0.00 178.15 179.62 1q2u h VAL 169 N 0.43 1.18 -0.68 1.67 2.07 -1.03 -1.38 116.25 118.51 1q2u h VAL 169 Ca 0.09 -0.33 -0.05 0.00 0.82 0.00 0.00 66.70 67.24 1q2u h VAL 169 Cb 0.50 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 1q2u h VAL 169 CO 0.02 0.17 0.23 -0.08 0.02 0.00 0.00 177.57 177.94 1q2u h GLU 170 N 0.95 1.05 -0.20 1.57 4.81 -0.99 0.38 114.58 122.14 1q2u h GLU 170 Ca 0.26 -0.22 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 1q2u h GLU 170 Cb -0.11 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.10 1q2u h GLU 170 CO -0.06 0.90 -0.10 0.00 -0.73 0.00 0.00 179.01 179.02 1q2u h ALA 171 N 1.10 1.46 0.04 2.92 0.00 -0.71 -0.44 119.26 123.62 1q2u h ALA 171 Ca 0.22 -0.21 -0.37 0.00 0.00 0.00 0.00 54.91 54.55 1q2u h ALA 171 Cb 0.27 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 1q2u h ALA 171 CO -0.01 0.38 -2.15 1.28 0.00 0.00 0.00 179.25 178.75 1q2u n LEU 172 N -4.27 2.49 -0.36 0.00 4.77 -0.57 -4.70 117.00 114.37 1q2u n LEU 172 Ca -0.00 0.15 0.04 0.00 -0.03 0.00 0.00 56.01 56.17 1q2u n LEU 172 Cb 0.27 -0.97 0.04 0.00 -2.33 0.00 0.00 43.42 40.44 1q2u n LEU 172 CO 0.38 0.74 0.41 0.59 -1.33 0.00 0.00 177.39 178.18 1q2u n ASN 173 N -3.71 1.82 0.00 -1.43 3.02 0.13 -5.00 115.26 110.09 1q2u n ASN 173 Ca -0.41 -1.43 0.00 0.00 -0.03 0.00 0.00 54.58 52.71 1q2u n ASN 173 Cb 0.94 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 40.09 1q2u n ASN 173 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1q2u n GLY 174 N 0.46 1.04 0.33 7.41 0.00 -0.18 -4.43 105.19 109.82 1q2u n GLY 174 Ca 0.05 -1.86 -0.06 0.00 0.00 0.00 0.00 46.02 44.15 1q2u n GLY 174 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1q2u h LYS 175 N 0.00 1.15 0.07 1.61 1.57 -1.89 -2.50 116.57 116.58 1q2u h LYS 175 Ca 0.00 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1q2u h LYS 175 Cb 0.00 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.13 1q2u h LYS 175 CO 0.00 0.96 -0.04 0.93 -0.57 0.00 0.00 179.45 180.73 1q2u h GLU 176 N 1.11 -0.11 -0.70 3.15 5.08 -1.97 -0.79 114.58 120.35 1q2u h GLU 176 Ca 0.25 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.61 1q2u h GLU 176 Cb 0.27 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1q2u h GLU 176 CO -0.01 -0.07 0.41 0.28 -1.00 0.00 0.00 179.01 178.62 1q2u h VAL 177 N -0.11 1.20 -0.71 3.13 2.07 -1.76 -0.85 116.25 119.21 1q2u h VAL 177 Ca -0.01 -0.46 0.02 0.00 0.82 0.00 0.00 66.70 67.08 1q2u h VAL 177 Cb 0.10 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 30.07 1q2u h VAL 177 CO 0.01 0.21 0.46 0.00 0.02 0.00 0.00 177.57 178.27 1q2u h ALA 178 N 1.21 0.92 -0.52 1.67 0.00 -1.19 -0.04 119.26 121.32 1q2u h ALA 178 Ca 0.25 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 1q2u h ALA 178 Cb -0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1q2u h ALA 178 CO -0.05 0.26 -0.05 0.00 0.00 0.00 0.00 179.25 179.41 1q2u h ALA 179 N 1.29 0.92 -0.58 0.00 0.00 -0.70 -0.29 119.26 119.90 1q2u h ALA 179 Ca 0.28 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1q2u h ALA 179 Cb -0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1q2u h ALA 179 CO -0.09 0.64 0.01 1.96 0.00 0.00 0.00 179.25 181.76 1q2u h GLN 180 N 0.84 1.01 -0.23 0.00 4.20 -0.55 -2.70 115.11 117.68 1q2u h GLN 180 Ca 0.15 -0.32 -0.15 0.00 0.06 0.00 0.00 58.65 58.39 1q2u h GLN 180 Cb 0.57 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 1q2u h GLN 180 CO 0.03 1.00 -0.49 0.28 -0.67 0.00 0.00 178.83 178.98 1q2u h VAL 181 N 0.90 1.31 -0.36 -0.54 2.07 -0.86 -3.31 116.25 115.46 1q2u h VAL 181 Ca 0.16 -1.70 -0.03 0.00 0.82 0.00 0.00 66.70 65.95 1q2u h VAL 181 Cb 0.54 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 1q2u h VAL 181 CO 0.03 0.54 0.11 0.50 0.02 0.00 0.00 177.57 178.77 1q2u h LYS 182 N 0.49 0.56 -0.48 1.57 3.64 -0.88 -3.35 116.57 118.12 1q2u h LYS 182 Ca 0.02 -0.12 0.09 0.00 -1.27 0.00 0.00 60.65 59.37 1q2u h LYS 182 Cb 1.03 -0.08 -0.10 0.00 -0.41 0.00 0.00 32.23 32.67 1q2u h LYS 182 CO 0.10 0.58 -0.30 0.00 -2.27 0.00 0.00 179.45 177.56 1q2u h ALA 183 N 0.95 -0.05 0.00 5.00 0.00 -1.57 -1.08 119.26 122.51 1q2u h ALA 183 Ca 0.12 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1q2u h ALA 183 Cb 0.26 0.68 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1q2u h ALA 183 CO -0.00 -0.66 0.00 -0.35 0.00 0.00 0.00 179.25 178.23 1q2u n PRO 184 N -5.42 0.24 0.22 0.00 -0.04 -1.25 -2.77 135.00 125.97 1q2u n PRO 184 Ca 0.03 0.13 0.11 0.00 -0.04 0.00 0.00 63.50 63.73 1q2u n PRO 184 Cb 0.34 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.51 1q2u n PRO 184 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1q2u h LEU 185 N 0.00 0.00 -1.40 1.53 3.38 -1.35 -3.47 115.31 114.00 1q2u h LEU 185 Ca 0.00 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 1q2u h LEU 185 Cb 0.11 0.00 0.13 0.00 0.09 0.00 0.00 40.66 40.99 1q2u h LEU 185 CO 0.00 0.07 -0.60 0.52 0.09 0.00 0.00 178.44 178.53 1q2u n VAL 186 N -3.12 -3.94 -2.05 1.22 0.31 -1.12 -5.01 118.33 104.63 1q2u n VAL 186 Ca 0.03 -0.25 -0.31 0.00 -0.01 0.00 0.00 64.34 63.81 1q2u n VAL 186 Cb 0.53 -4.15 0.00 0.00 -0.91 0.00 0.00 33.84 29.32 1q2u n VAL 186 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1q2u s LEU 187 N -5.76 3.34 0.12 7.52 1.43 -1.26 -4.98 118.68 119.08 1q2u s LEU 187 Ca 0.18 1.37 -0.11 0.00 -1.03 0.00 0.00 54.13 54.54 1q2u s LEU 187 Cb -0.08 -4.39 -0.11 0.00 0.03 0.00 0.00 46.19 41.64 1q2u s LEU 187 CO 0.59 -0.79 1.35 0.50 0.23 0.00 0.00 176.35 178.23 1q2u h LYS 188 N -0.08 0.77 0.00 1.70 3.64 -1.99 -3.52 116.57 117.09 1q2u h LYS 188 Ca -0.45 -0.59 0.00 0.00 -1.27 0.00 0.00 60.65 58.34 1q2u h LYS 188 Cb 1.19 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 1q2u h LYS 188 CO 0.62 1.20 0.00 -0.25 -2.27 0.00 0.00 179.45 178.75