#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rk3 s SER 3 N 0.00 6.81 0.47 0.00 0.01 -1.26 -5.04 113.70 114.69 2rk3 s SER 3 Ca 0.00 1.49 -0.21 0.00 1.31 0.00 0.00 55.95 58.53 2rk3 s SER 3 Cb 0.00 -2.46 -0.08 0.00 0.21 0.00 0.00 66.02 63.69 2rk3 s SER 3 CO 0.00 -0.33 1.05 -0.54 0.41 0.00 0.00 173.24 173.82 2rk3 s LYS 4 N -3.26 3.87 -0.01 12.44 -0.14 -1.26 -4.88 119.74 126.49 2rk3 s LYS 4 Ca 0.58 1.41 0.06 0.00 -1.36 0.00 0.00 55.97 56.66 2rk3 s LYS 4 Cb -0.10 -2.20 -0.01 0.00 -1.68 0.00 0.00 37.83 33.84 2rk3 s LYS 4 CO 0.18 -0.38 -0.19 1.03 -0.76 0.00 0.00 175.35 175.23 2rk3 s ARG 5 N -3.06 1.51 -0.02 1.68 0.52 -1.26 -0.95 118.95 117.37 2rk3 s ARG 5 Ca 0.65 -0.68 0.06 0.00 -0.52 0.00 0.00 55.73 55.24 2rk3 s ARG 5 Cb -0.18 -1.47 -0.01 0.00 0.52 0.00 0.00 34.95 33.81 2rk3 s ARG 5 CO 0.22 0.40 -0.20 0.00 0.02 0.00 0.00 175.30 175.74 2rk3 s ALA 6 N -0.46 1.67 -0.23 2.13 0.00 -0.17 -0.54 121.76 124.17 2rk3 s ALA 6 Ca 0.07 -0.85 -0.06 0.00 0.00 0.00 0.00 51.96 51.13 2rk3 s ALA 6 Cb -0.07 -0.45 -0.02 0.00 0.00 0.00 0.00 23.12 22.57 2rk3 s ALA 6 CO -0.01 0.39 0.02 -1.17 0.00 0.00 0.00 175.76 174.99 2rk3 s LEU 7 N -0.36 3.25 -0.24 0.00 2.96 -0.49 -0.69 118.68 123.11 2rk3 s LEU 7 Ca 0.05 -0.25 -0.04 0.00 -0.22 0.00 0.00 54.13 53.67 2rk3 s LEU 7 Cb -0.09 -1.85 0.00 0.00 0.50 0.00 0.00 46.19 44.76 2rk3 s LEU 7 CO 0.00 0.00 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.31 2rk3 s VAL 8 N 1.39 3.36 -0.32 1.68 1.01 -0.19 -0.33 120.40 127.00 2rk3 s VAL 8 Ca 0.05 -0.63 -0.15 0.00 0.00 0.00 0.00 61.98 61.25 2rk3 s VAL 8 Cb -0.15 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.61 2rk3 s VAL 8 CO 0.01 0.32 0.35 -0.63 0.00 0.00 0.00 175.10 175.16 2rk3 s ILE 9 N 1.45 5.18 -0.31 2.22 1.01 -0.85 -0.71 121.20 129.19 2rk3 s ILE 9 Ca 0.04 0.21 -0.06 0.00 0.00 0.00 0.00 60.65 60.84 2rk3 s ILE 9 Cb -0.15 -3.76 0.02 0.00 0.01 0.00 0.00 42.46 38.58 2rk3 s ILE 9 CO -0.03 0.01 0.08 -0.22 0.00 0.00 0.00 174.94 174.78 2rk3 s LEU 10 N 2.02 3.96 0.20 2.97 2.96 0.21 -4.43 118.68 126.57 2rk3 s LEU 10 Ca 0.12 -0.87 0.10 0.00 -0.22 0.00 0.00 54.13 53.26 2rk3 s LEU 10 Cb -0.16 -1.86 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 2rk3 s LEU 10 CO 0.11 -0.23 -0.12 0.00 -1.32 0.00 0.00 176.35 174.79 2rk3 s ALA 11 N 1.45 2.88 0.19 5.97 0.00 -1.26 -1.21 121.76 129.77 2rk3 s ALA 11 Ca 0.01 -1.56 -0.32 0.00 0.00 0.00 0.00 51.96 50.08 2rk3 s ALA 11 Cb -0.18 -0.62 -0.15 0.00 0.00 0.00 0.00 23.12 22.17 2rk3 s ALA 11 CO 0.02 0.42 1.22 1.17 0.00 0.00 0.00 175.76 178.59 2rk3 n LYS 12 N -0.09 1.37 -0.77 0.00 4.81 -1.26 -1.23 118.16 120.98 2rk3 n LYS 12 Ca -0.10 0.49 0.00 0.00 -0.87 0.00 0.00 58.31 57.83 2rk3 n LYS 12 Cb 0.56 -2.02 0.00 0.00 0.02 0.00 0.00 35.03 33.59 2rk3 n LYS 12 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2rk3 n GLY 13 N 2.04 0.80 3.72 3.14 0.00 -0.64 -3.19 105.19 111.06 2rk3 n GLY 13 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 2rk3 n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rk3 n ALA 14 N 0.32 1.16 -2.32 4.61 0.00 -0.37 -2.28 120.51 121.63 2rk3 n ALA 14 Ca 0.00 0.02 -0.43 0.00 0.00 0.00 0.00 53.44 53.03 2rk3 n ALA 14 Cb 0.00 -2.32 -0.02 0.00 0.00 0.00 0.00 19.45 17.11 2rk3 n ALA 14 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2rk3 s GLU 15 N -3.28 3.80 0.36 0.00 -6.30 -0.19 -0.44 118.70 112.65 2rk3 s GLU 15 Ca 0.81 1.29 0.06 0.00 -2.50 0.00 0.00 54.97 54.62 2rk3 s GLU 15 Cb -0.39 -3.95 0.67 0.00 0.00 0.00 0.00 34.13 30.46 2rk3 s GLU 15 CO 0.42 -1.27 1.91 1.05 0.02 0.00 0.00 175.26 177.38 2rk3 h GLU 16 N 10.02 0.47 -0.66 4.30 9.09 -1.91 -1.78 114.58 134.10 2rk3 h GLU 16 Ca -0.28 -0.09 -0.07 0.00 0.05 0.00 0.00 59.36 58.96 2rk3 h GLU 16 Cb 1.11 -0.07 -0.03 0.00 -1.65 0.00 0.00 28.75 28.12 2rk3 h GLU 16 CO 1.04 0.49 0.12 0.52 0.05 0.00 0.00 179.01 181.23 2rk3 h MET 17 N 0.45 1.08 0.00 1.06 2.86 -1.99 -0.18 114.93 118.21 2rk3 h MET 17 Ca 0.10 -0.28 0.00 0.00 -2.06 0.00 0.00 59.70 57.46 2rk3 h MET 17 Cb 0.29 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.82 2rk3 h MET 17 CO 0.01 0.99 0.00 0.39 1.06 0.00 0.00 176.91 179.35 2rk3 n GLU 18 N -4.25 0.10 -0.09 1.72 1.02 -0.82 -1.33 120.64 116.98 2rk3 n GLU 18 Ca 0.04 0.26 -0.16 0.00 -0.02 0.00 0.00 57.16 57.28 2rk3 n GLU 18 Cb 0.28 -1.66 -0.08 0.00 -0.02 0.00 0.00 31.44 29.96 2rk3 n GLU 18 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2rk3 n THR 19 N -1.85 1.49 -0.07 2.62 -1.04 -0.74 -4.36 114.28 110.34 2rk3 n THR 19 Ca 0.04 0.04 -0.13 0.00 -2.04 0.00 0.00 64.05 61.96 2rk3 n THR 19 Cb 0.25 -2.16 -0.01 0.00 -1.82 0.00 0.00 70.33 66.59 2rk3 n THR 19 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2rk3 h VAL 20 N -1.00 1.28 0.03 12.58 2.07 -1.00 -2.47 116.25 127.75 2rk3 h VAL 20 Ca -0.24 -1.71 -0.00 0.00 0.82 0.00 0.00 66.70 65.57 2rk3 h VAL 20 Cb 1.04 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 2rk3 h VAL 20 CO -0.15 0.56 -0.01 0.40 0.02 0.00 0.00 177.57 178.39 2rk3 h ILE 21 N 0.63 1.02 -0.75 4.57 2.04 -1.43 -0.50 117.51 123.09 2rk3 h ILE 21 Ca 0.02 -0.17 -0.05 0.00 1.00 0.00 0.00 64.86 65.66 2rk3 h ILE 21 Cb 1.11 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 38.29 2rk3 h ILE 21 CO 0.11 0.04 0.26 -0.65 0.00 0.00 0.00 178.15 177.91 2rk3 h PRO 22 N -0.11 1.16 -0.10 2.37 0.11 -1.76 -0.48 132.00 133.19 2rk3 h PRO 22 Ca -0.00 -0.24 0.02 0.00 0.11 0.00 0.00 66.00 65.89 2rk3 h PRO 22 Cb 0.10 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.02 2rk3 h PRO 22 CO 0.01 0.97 -0.02 0.28 -0.21 0.00 0.00 178.00 179.03 2rk3 h VAL 23 N 1.11 0.90 0.09 3.15 2.07 -1.24 -0.23 116.25 122.11 2rk3 h VAL 23 Ca 0.25 -0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.76 2rk3 h VAL 23 Cb 0.28 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 2rk3 h VAL 23 CO -0.01 0.00 -0.04 -0.78 0.02 0.00 0.00 177.57 176.76 2rk3 h ASP 24 N 0.01 -0.10 -0.85 0.57 1.82 -0.93 -1.14 116.42 115.79 2rk3 h ASP 24 Ca 0.05 -0.18 -0.02 0.00 -0.39 0.00 0.00 57.03 56.49 2rk3 h ASP 24 Cb 0.07 0.03 -0.04 0.00 0.68 0.00 0.00 39.33 40.07 2rk3 h ASP 24 CO -0.10 0.12 0.44 0.58 -1.61 0.00 0.00 179.24 178.67 2rk3 h VAL 25 N -0.33 1.26 -0.67 2.25 2.07 -1.06 0.00 116.25 119.77 2rk3 h VAL 25 Ca -0.01 -0.67 -0.08 0.00 0.82 0.00 0.00 66.70 66.76 2rk3 h VAL 25 Cb 0.28 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 2rk3 h VAL 25 CO 0.02 0.30 0.12 0.24 0.02 0.00 0.00 177.57 178.26 2rk3 h MET 26 N 1.20 1.10 -0.51 1.57 2.86 -0.96 -2.00 114.93 118.19 2rk3 h MET 26 Ca 0.30 -0.29 -0.06 0.00 -2.06 0.00 0.00 59.70 57.59 2rk3 h MET 26 Cb 0.07 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 2rk3 h MET 26 CO -0.04 1.00 0.07 0.00 1.06 0.00 0.00 176.91 178.99 2rk3 h ARG 27 N 1.03 0.80 -0.29 1.72 3.08 -0.65 -1.66 114.38 118.41 2rk3 h ARG 27 Ca 0.21 -0.19 0.04 0.00 0.07 0.00 0.00 59.98 60.11 2rk3 h ARG 27 Cb 0.43 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 2rk3 h ARG 27 CO 0.01 0.76 0.20 0.00 -1.07 0.00 0.00 179.97 179.87 2rk3 h ARG 28 N 0.76 0.24 -0.01 0.04 3.08 -0.62 -1.35 114.38 116.51 2rk3 h ARG 28 Ca 0.16 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.20 2rk3 h ARG 28 Cb 0.36 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.36 2rk3 h ARG 28 CO 0.01 0.16 0.00 0.00 -1.07 0.00 0.00 179.97 179.06 2rk3 n ALA 29 N -2.53 2.63 -1.06 0.04 0.00 -0.72 -4.91 120.51 113.97 2rk3 n ALA 29 Ca 0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 53.44 53.24 2rk3 n ALA 29 Cb 0.19 -1.36 -0.01 0.00 0.00 0.00 0.00 19.45 18.27 2rk3 n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rk3 n GLY 30 N 0.93 0.55 3.74 0.00 0.00 -0.51 -5.02 105.19 104.88 2rk3 n GLY 30 Ca 0.19 -0.51 -0.40 0.00 0.00 0.00 0.00 46.02 45.29 2rk3 n GLY 30 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2rk3 s ILE 31 N -2.00 4.18 -0.46 -0.61 1.01 -0.70 -4.62 121.20 117.99 2rk3 s ILE 31 Ca 0.00 2.01 -0.25 0.00 0.00 0.00 0.00 60.65 62.41 2rk3 s ILE 31 Cb 0.00 -4.28 0.03 0.00 0.01 0.00 0.00 42.46 38.22 2rk3 s ILE 31 CO 0.00 0.41 0.92 -0.75 0.00 0.00 0.00 174.94 175.52 2rk3 s LYS 32 N -0.70 3.52 -0.17 2.79 2.20 -0.12 -4.19 119.74 123.06 2rk3 s LYS 32 Ca 0.44 0.13 -0.07 0.00 -0.36 0.00 0.00 55.97 56.11 2rk3 s LYS 32 Cb -0.26 -3.93 -0.04 0.00 -1.51 0.00 0.00 37.83 32.09 2rk3 s LYS 32 CO 0.32 -1.23 0.07 0.08 -0.36 0.00 0.00 175.35 174.23 2rk3 s VAL 33 N 3.75 4.85 -0.26 4.02 1.01 -1.26 -1.00 120.40 131.51 2rk3 s VAL 33 Ca 0.37 -0.01 -0.05 0.00 0.00 0.00 0.00 61.98 62.28 2rk3 s VAL 33 Cb -0.10 -3.18 0.01 0.00 0.00 0.00 0.00 36.38 33.11 2rk3 s VAL 33 CO 0.26 0.48 0.01 -0.89 0.00 0.00 0.00 175.10 174.96 2rk3 s THR 34 N 0.21 3.53 -0.49 3.92 2.01 0.14 -4.97 115.64 119.99 2rk3 s THR 34 Ca 0.05 -0.69 -0.24 0.00 0.31 0.00 0.00 61.69 61.12 2rk3 s THR 34 Cb -0.12 -2.74 0.03 0.00 0.01 0.00 0.00 72.50 69.68 2rk3 s THR 34 CO 0.00 0.23 0.89 -0.69 -0.69 0.00 0.00 174.62 174.36 2rk3 s VAL 35 N 1.46 4.50 -0.17 3.82 1.01 -1.26 -1.02 120.40 128.73 2rk3 s VAL 35 Ca 0.03 0.49 -0.04 0.00 0.00 0.00 0.00 61.98 62.46 2rk3 s VAL 35 Cb -0.16 -4.44 -0.02 0.00 0.00 0.00 0.00 36.38 31.76 2rk3 s VAL 35 CO -0.01 -0.90 -0.04 0.00 0.00 0.00 0.00 175.10 174.16 2rk3 s ALA 36 N 3.68 2.94 -0.22 5.51 0.00 0.11 -0.38 121.76 133.40 2rk3 s ALA 36 Ca 0.33 -0.92 -0.27 0.00 0.00 0.00 0.00 51.96 51.10 2rk3 s ALA 36 Cb -0.12 -1.59 -0.00 0.00 0.00 0.00 0.00 23.12 21.41 2rk3 s ALA 36 CO 0.23 0.04 0.93 0.20 0.00 0.00 0.00 175.76 177.16 2rk3 s GLY 37 N 0.68 1.82 0.22 0.00 0.00 0.01 -0.62 107.32 109.42 2rk3 s GLY 37 Ca -0.02 0.06 -0.10 0.00 0.00 0.00 0.00 44.72 44.66 2rk3 s GLY 37 CO 0.02 1.96 1.67 -2.00 0.00 0.00 0.00 173.10 174.76 2rk3 h LEU 38 N 9.11 -0.19 0.00 0.66 5.85 -1.50 -0.33 115.31 128.90 2rk3 h LEU 38 Ca -0.23 0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.64 2rk3 h LEU 38 Cb 1.09 0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.36 2rk3 h LEU 38 CO 0.91 -0.08 -0.09 0.00 -0.34 0.00 0.00 178.44 178.84 2rk3 n ALA 39 N -2.74 2.48 0.00 1.25 0.00 -1.26 -4.64 120.51 115.60 2rk3 n ALA 39 Ca 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2rk3 n ALA 39 Cb 0.36 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.39 2rk3 n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2rk3 n GLY 40 N 1.44 0.91 0.07 0.00 0.00 -1.01 -4.92 105.19 101.67 2rk3 n GLY 40 Ca 0.06 -1.86 0.13 0.00 0.00 0.00 0.00 46.02 44.35 2rk3 n GLY 40 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2rk3 n LYS 41 N 0.00 0.17 -1.75 1.61 5.02 -1.26 -3.99 118.16 117.96 2rk3 n LYS 41 Ca 0.00 0.15 -0.31 0.00 -2.02 0.00 0.00 58.31 56.13 2rk3 n LYS 41 Cb 0.00 -1.70 0.03 0.00 -0.02 0.00 0.00 35.03 33.34 2rk3 n LYS 41 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2rk3 s ASP 42 N -3.97 5.81 0.62 4.39 1.01 -1.26 -4.51 116.67 118.76 2rk3 s ASP 42 Ca 0.11 1.47 -0.18 0.00 0.71 0.00 0.00 52.55 54.67 2rk3 s ASP 42 Cb 0.14 -2.44 -0.04 0.00 1.01 0.00 0.00 42.92 41.60 2rk3 s ASP 42 CO 0.56 -1.15 1.06 -2.65 0.21 0.00 0.00 175.17 173.20 2rk3 n PRO 43 N -2.93 0.94 -4.66 8.23 -0.02 -1.26 -4.48 135.00 130.82 2rk3 n PRO 43 Ca 0.07 0.37 -0.33 0.00 -2.02 0.00 0.00 63.50 61.58 2rk3 n PRO 43 Cb 0.54 -2.28 -0.15 0.00 -0.02 0.00 0.00 33.50 31.60 2rk3 n PRO 43 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2rk3 s VAL 44 N -1.48 2.84 -0.45 -1.45 1.01 0.34 -4.94 120.40 116.27 2rk3 s VAL 44 Ca 0.78 -0.72 -0.24 0.00 0.00 0.00 0.00 61.98 61.80 2rk3 s VAL 44 Cb -0.40 -2.19 0.03 0.00 0.00 0.00 0.00 36.38 33.81 2rk3 s VAL 44 CO 0.45 0.52 0.86 -1.58 0.00 0.00 0.00 175.10 175.34 2rk3 s GLN 45 N 0.59 3.49 0.93 2.72 0.74 -1.26 -1.44 119.66 125.43 2rk3 s GLN 45 Ca -0.08 0.05 -0.15 0.00 0.05 0.00 0.00 55.36 55.23 2rk3 s GLN 45 Cb -0.16 -3.93 0.17 0.00 1.10 0.00 0.00 33.01 30.20 2rk3 s GLN 45 CO 0.03 -1.16 1.29 0.00 -0.55 0.00 0.00 175.29 174.90 2rk3 h SER 47 N -1.53 0.61 -0.58 0.00 4.64 -0.88 -0.60 113.55 115.22 2rk3 h SER 47 Ca -0.45 -0.01 -0.28 0.00 -0.47 0.00 0.00 61.79 60.58 2rk3 h SER 47 Cb 1.26 -0.15 -0.16 0.00 -0.31 0.00 0.00 62.40 63.03 2rk3 h SER 47 CO 0.44 0.43 0.18 0.54 -0.87 0.00 0.00 176.83 177.56 2rk3 n ARG 48 N -4.46 2.20 -0.93 4.77 3.00 -1.26 -4.95 116.66 115.03 2rk3 n ARG 48 Ca 0.06 -3.10 0.00 0.00 -0.01 0.00 0.00 57.85 54.80 2rk3 n ARG 48 Cb 0.09 -1.96 0.00 0.00 0.00 0.00 0.00 32.46 30.58 2rk3 n ARG 48 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2rk3 n ASP 49 N -1.01 -3.15 -4.74 0.55 8.00 -0.23 -4.99 116.55 110.96 2rk3 n ASP 49 Ca 0.41 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.50 2rk3 n ASP 49 Cb 1.25 -1.78 -0.02 0.00 -0.02 0.00 0.00 41.12 40.55 2rk3 n ASP 49 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2rk3 s VAL 50 N -1.80 2.73 -0.24 2.53 1.01 -1.26 -4.72 120.40 118.65 2rk3 s VAL 50 Ca 0.00 0.62 -0.06 0.00 0.00 0.00 0.00 61.98 62.54 2rk3 s VAL 50 Cb 0.00 -3.39 -0.01 0.00 0.00 0.00 0.00 36.38 32.97 2rk3 s VAL 50 CO 0.00 0.10 0.02 -0.69 0.00 0.00 0.00 175.10 174.53 2rk3 s VAL 51 N -0.02 3.80 -0.10 2.92 1.01 -1.26 -0.82 120.40 125.93 2rk3 s VAL 51 Ca 0.59 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 62.18 2rk3 s VAL 51 Cb -0.41 -2.79 -0.02 0.00 0.00 0.00 0.00 36.38 33.17 2rk3 s VAL 51 CO 0.43 0.34 -0.16 -0.63 0.00 0.00 0.00 175.10 175.08 2rk3 s ILE 52 N 1.53 2.82 -0.29 2.22 1.01 -0.52 -4.90 121.20 123.07 2rk3 s ILE 52 Ca 0.06 -0.77 -0.16 0.00 0.00 0.00 0.00 60.65 59.77 2rk3 s ILE 52 Cb -0.15 -2.14 -0.03 0.00 0.01 0.00 0.00 42.46 40.16 2rk3 s ILE 52 CO 0.00 0.55 0.44 0.00 0.00 0.00 0.00 174.94 175.93 2rk3 s PRO 54 N 2.21 2.62 0.32 0.00 0.04 -1.26 -4.94 135.00 133.99 2rk3 s PRO 54 Ca 0.17 1.23 0.07 0.00 0.04 0.00 0.00 61.00 62.51 2rk3 s PRO 54 Cb -0.16 -1.94 0.55 0.00 0.04 0.00 0.00 34.50 33.00 2rk3 s PRO 54 CO 0.10 -1.37 1.77 -0.44 0.04 0.00 0.00 177.00 177.10 2rk3 h ASP 55 N -0.53 0.26 -5.02 6.66 3.32 -1.08 -3.47 116.42 116.56 2rk3 h ASP 55 Ca -0.45 -0.09 0.01 0.00 0.02 0.00 0.00 57.03 56.52 2rk3 h ASP 55 Cb 1.23 -0.07 -0.09 0.00 0.22 0.00 0.00 39.33 40.62 2rk3 h ASP 55 CO 0.53 0.57 0.18 0.00 -1.72 0.00 0.00 179.24 178.80 2rk3 s ALA 56 N -4.35 -1.34 0.67 3.45 0.00 -1.11 -5.01 121.76 114.08 2rk3 s ALA 56 Ca -0.05 0.08 -0.13 0.00 0.00 0.00 0.00 51.96 51.86 2rk3 s ALA 56 Cb 0.14 0.87 0.00 0.00 0.00 0.00 0.00 23.12 24.13 2rk3 s ALA 56 CO 0.76 -0.87 1.08 -1.54 0.00 0.00 0.00 175.76 175.19 2rk3 s SER 57 N -2.83 5.23 0.24 0.00 1.04 -1.26 -0.81 113.70 115.31 2rk3 s SER 57 Ca 0.06 1.83 -0.07 0.00 0.48 0.00 0.00 55.95 58.25 2rk3 s SER 57 Cb -0.03 -2.53 0.24 0.00 0.10 0.00 0.00 66.02 63.80 2rk3 s SER 57 CO -0.04 -1.55 1.91 0.25 0.98 0.00 0.00 173.24 174.79 2rk3 h LEU 58 N -0.26 1.05 -0.63 2.42 5.85 -1.31 0.07 115.31 122.50 2rk3 h LEU 58 Ca -0.45 -0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.34 2rk3 h LEU 58 Cb 1.23 -0.26 -0.07 0.00 0.37 0.00 0.00 40.66 41.93 2rk3 h LEU 58 CO 0.55 0.75 0.25 -0.08 -0.34 0.00 0.00 178.44 179.57 2rk3 h GLU 59 N 1.24 0.42 -0.04 1.25 4.81 -1.88 0.25 114.58 120.63 2rk3 h GLU 59 Ca 0.34 -0.03 -0.24 0.00 -0.13 0.00 0.00 59.36 59.31 2rk3 h GLU 59 Cb -0.12 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 29.18 2rk3 h GLU 59 CO -0.08 0.28 -0.93 -0.44 -0.73 0.00 0.00 179.01 177.10 2rk3 h ASP 60 N 0.43 0.78 -0.17 1.04 3.32 -1.83 -3.20 116.42 116.79 2rk3 h ASP 60 Ca 0.32 -0.59 -0.05 0.00 0.02 0.00 0.00 57.03 56.73 2rk3 h ASP 60 Cb 0.39 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 2rk3 h ASP 60 CO -0.31 1.38 -0.02 0.00 -1.72 0.00 0.00 179.24 178.57 2rk3 h ALA 61 N 0.58 1.42 -0.27 3.45 0.00 -0.45 -1.80 119.26 122.19 2rk3 h ALA 61 Ca -0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2rk3 h ALA 61 Cb 1.57 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 2rk3 h ALA 61 CO 0.18 0.41 0.12 -0.22 0.00 0.00 0.00 179.25 179.73 2rk3 h LYS 62 N 0.43 0.37 0.00 0.00 3.64 -0.95 -1.77 116.57 118.29 2rk3 h LYS 62 Ca 0.09 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 2rk3 h LYS 62 Cb 0.32 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.07 2rk3 h LYS 62 CO 0.01 0.30 -0.06 0.87 -2.27 0.00 0.00 179.45 178.30 2rk3 h LYS 63 N 0.37 0.00 -0.61 1.90 1.57 -1.35 -2.62 116.57 115.83 2rk3 h LYS 63 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2rk3 h LYS 63 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2rk3 h LYS 63 CO -0.01 0.06 0.00 0.39 -0.57 0.00 0.00 179.45 179.32 2rk3 n GLU 64 N -4.29 2.64 -0.24 3.15 -0.58 -0.67 -4.97 120.64 115.68 2rk3 n GLU 64 Ca -0.03 -2.53 -0.04 0.00 -0.42 0.00 0.00 57.16 54.14 2rk3 n GLU 64 Cb 0.14 -1.55 0.03 0.00 -0.57 0.00 0.00 31.44 29.49 2rk3 n GLU 64 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2rk3 n GLY 65 N 1.62 -1.50 3.91 0.62 0.00 -0.99 -4.89 105.19 103.95 2rk3 n GLY 65 Ca 0.23 -1.62 -0.29 0.00 0.00 0.00 0.00 46.02 44.34 2rk3 n GLY 65 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2rk3 s PRO 66 N -3.39 1.94 0.11 1.61 0.04 -1.26 -5.11 135.00 128.94 2rk3 s PRO 66 Ca 0.10 0.03 0.09 0.00 0.04 0.00 0.00 61.00 61.26 2rk3 s PRO 66 Cb -0.00 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 2rk3 s PRO 66 CO 0.07 -1.58 -0.17 0.71 0.04 0.00 0.00 177.00 176.07 2rk3 s TYR 67 N -3.54 2.55 0.17 0.56 1.51 -1.26 -4.99 117.35 112.35 2rk3 s TYR 67 Ca 0.62 -0.25 0.23 0.00 -1.01 0.00 0.00 57.07 56.66 2rk3 s TYR 67 Cb -0.11 -1.36 0.90 0.00 -0.11 0.00 0.00 41.96 41.29 2rk3 s TYR 67 CO 0.48 0.38 1.82 -0.44 -1.11 0.00 0.00 175.55 176.69 2rk3 h ASP 68 N 3.80 0.00 -4.04 2.29 3.32 -1.19 -3.44 116.42 117.16 2rk3 h ASP 68 Ca -0.50 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.39 2rk3 h ASP 68 Cb 1.17 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.47 2rk3 h ASP 68 CO 0.47 0.25 -0.45 0.54 -1.72 0.00 0.00 179.24 178.33 2rk3 s VAL 69 N -3.69 0.01 -0.21 -1.35 0.11 -1.05 -3.33 120.40 110.89 2rk3 s VAL 69 Ca 0.00 -0.12 -0.05 0.00 -2.93 0.00 0.00 61.98 58.88 2rk3 s VAL 69 Cb 0.11 -0.35 -0.02 0.00 -1.53 0.00 0.00 36.38 34.58 2rk3 s VAL 69 CO 0.64 -0.07 0.01 -0.69 -3.33 0.00 0.00 175.10 171.67 2rk3 s VAL 70 N -0.17 3.95 -0.14 2.04 1.01 -0.86 -1.39 120.40 124.84 2rk3 s VAL 70 Ca -0.03 -0.31 -0.00 0.00 0.00 0.00 0.00 61.98 61.64 2rk3 s VAL 70 Cb -0.03 -2.80 -0.01 0.00 0.00 0.00 0.00 36.38 33.54 2rk3 s VAL 70 CO 0.01 0.41 -0.12 -0.69 0.00 0.00 0.00 175.10 174.70 2rk3 s VAL 71 N 1.20 3.04 -0.28 2.92 1.01 0.56 -0.93 120.40 127.91 2rk3 s VAL 71 Ca 0.03 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 2rk3 s VAL 71 Cb -0.15 -2.29 0.05 0.00 0.00 0.00 0.00 36.38 33.99 2rk3 s VAL 71 CO 0.01 0.51 -0.03 -0.76 0.00 0.00 0.00 175.10 174.84 2rk3 s LEU 72 N 0.51 3.68 1.11 3.92 1.43 -0.17 -2.00 118.68 127.15 2rk3 s LEU 72 Ca -0.09 -1.20 -0.12 0.00 -1.03 0.00 0.00 54.13 51.69 2rk3 s LEU 72 Cb -0.16 -1.68 0.25 0.00 0.03 0.00 0.00 46.19 44.64 2rk3 s LEU 72 CO 0.04 -0.22 1.05 -2.84 0.23 0.00 0.00 176.35 174.61 2rk3 s PRO 73 N 1.25 -0.46 0.00 1.29 0.02 -1.26 -2.63 135.00 133.20 2rk3 s PRO 73 Ca -0.05 0.95 0.00 0.00 0.02 0.00 0.00 61.00 61.92 2rk3 s PRO 73 Cb -0.19 -1.60 0.00 0.00 0.02 0.00 0.00 34.50 32.73 2rk3 s PRO 73 CO -0.02 -3.45 0.00 0.41 -0.33 0.00 0.00 177.00 173.61 2rk3 n GLY 74 N 0.53 1.80 0.21 0.52 0.00 -1.03 -4.10 105.19 103.11 2rk3 n GLY 74 Ca 0.05 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.28 2rk3 n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rk3 n GLY 75 N 5.00 -0.83 0.24 -0.02 0.00 -1.26 -1.02 105.19 107.30 2rk3 n GLY 75 Ca 0.00 -1.02 -0.01 0.00 0.00 0.00 0.00 46.02 44.99 2rk3 n GLY 75 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2rk3 h ASN 76 N 0.00 -0.54 0.09 1.61 -1.24 -1.95 -0.04 115.58 113.52 2rk3 h ASN 76 Ca 0.00 0.18 -0.27 0.00 0.71 0.00 0.00 56.30 56.92 2rk3 h ASN 76 Cb 0.00 0.37 0.03 0.00 0.73 0.00 0.00 38.32 39.44 2rk3 h ASN 76 CO 0.00 -0.19 -1.12 -0.07 -1.29 0.00 0.00 177.43 174.75 2rk3 h LEU 77 N 0.01 0.83 -0.58 0.34 3.38 -1.91 -1.98 115.31 115.41 2rk3 h LEU 77 Ca 0.30 -0.81 0.10 0.00 0.09 0.00 0.00 57.88 57.56 2rk3 h LEU 77 Cb 0.46 -0.26 -0.08 0.00 0.09 0.00 0.00 40.66 40.87 2rk3 h LEU 77 CO -0.62 1.55 0.17 1.23 0.09 0.00 0.00 178.44 180.86 2rk3 h GLY 78 N 0.22 0.77 1.01 0.83 0.00 -1.21 -1.61 103.07 103.09 2rk3 h GLY 78 Ca -0.17 -0.07 -0.02 0.00 0.00 0.00 0.00 47.33 47.08 2rk3 h GLY 78 CO 0.22 -0.06 0.42 0.00 0.00 0.00 0.00 176.54 177.12 2rk3 h ALA 79 N 1.43 0.99 -0.60 3.60 0.00 -0.95 -0.45 119.26 123.27 2rk3 h ALA 79 Ca 0.30 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2rk3 h ALA 79 Cb 0.39 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2rk3 h ALA 79 CO -0.34 0.50 0.39 1.96 0.00 0.00 0.00 179.25 181.76 2rk3 h GLN 80 N 1.07 0.79 -0.76 0.00 4.20 -0.89 0.93 115.11 120.44 2rk3 h GLN 80 Ca 0.27 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.91 2rk3 h GLN 80 Cb 0.04 -0.18 -0.04 0.00 0.30 0.00 0.00 27.48 27.60 2rk3 h GLN 80 CO -0.04 0.53 0.42 -0.91 -0.67 0.00 0.00 178.83 178.16 2rk3 h ASN 81 N 0.81 0.95 -0.80 1.46 2.35 -0.76 -1.89 115.58 117.69 2rk3 h ASN 81 Ca 0.22 -0.10 -0.04 0.00 -0.55 0.00 0.00 56.30 55.83 2rk3 h ASN 81 Cb -0.08 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.01 2rk3 h ASN 81 CO -0.05 0.77 0.34 -0.07 -1.65 0.00 0.00 177.43 176.78 2rk3 h LEU 82 N 1.05 1.09 -1.53 1.61 3.38 -0.73 -2.83 115.31 117.36 2rk3 h LEU 82 Ca 0.27 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 2rk3 h LEU 82 Cb 0.03 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 2rk3 h LEU 82 CO -0.04 0.95 -0.23 0.28 0.09 0.00 0.00 178.44 179.48 2rk3 h SER 83 N 1.16 0.00 0.45 -0.43 0.02 -0.31 -2.79 113.55 111.65 2rk3 h SER 83 Ca 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 2rk3 h SER 83 Cb 0.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.73 2rk3 h SER 83 CO -0.03 0.23 -0.34 -0.62 -1.14 0.00 0.00 176.83 174.94 2rk3 n GLU 84 N -3.84 0.33 -3.16 3.45 1.02 -0.76 -4.78 120.64 112.90 2rk3 n GLU 84 Ca -0.02 -0.17 -0.40 0.00 -0.02 0.00 0.00 57.16 56.55 2rk3 n GLU 84 Cb 0.33 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.18 2rk3 n GLU 84 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2rk3 s SER 85 N -2.79 6.52 0.38 1.62 0.15 -1.05 -4.94 113.70 113.59 2rk3 s SER 85 Ca 0.17 0.62 0.05 0.00 0.70 0.00 0.00 55.95 57.50 2rk3 s SER 85 Cb 0.18 -2.32 0.75 0.00 -1.71 0.00 0.00 66.02 62.93 2rk3 s SER 85 CO 0.60 -0.35 2.01 0.00 1.20 0.00 0.00 173.24 176.70 2rk3 h ALA 86 N 7.96 1.59 -0.36 5.45 0.00 -1.91 -1.54 119.26 130.45 2rk3 h ALA 86 Ca -0.28 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 2rk3 h ALA 86 Cb 1.13 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2rk3 h ALA 86 CO 0.75 0.34 0.12 0.00 0.00 0.00 0.00 179.25 180.46 2rk3 h ALA 87 N 1.66 0.47 -0.67 0.00 0.00 -1.95 -1.78 119.26 116.98 2rk3 h ALA 87 Ca 0.16 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2rk3 h ALA 87 Cb 0.02 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2rk3 h ALA 87 CO -0.03 0.10 0.24 0.28 0.00 0.00 0.00 179.25 179.84 2rk3 h VAL 88 N 0.43 1.25 -0.38 0.00 2.07 -1.79 -1.73 116.25 116.10 2rk3 h VAL 88 Ca 0.12 -0.82 0.08 0.00 0.82 0.00 0.00 66.70 66.89 2rk3 h VAL 88 Cb 0.24 0.52 -0.08 0.00 -1.52 0.00 0.00 31.29 30.45 2rk3 h VAL 88 CO -0.00 0.32 -0.14 0.50 0.02 0.00 0.00 177.57 178.26 2rk3 h LYS 89 N 0.97 -0.06 -0.49 1.57 3.64 -0.93 -0.61 116.57 120.65 2rk3 h LYS 89 Ca 0.22 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 59.48 2rk3 h LYS 89 Cb 0.26 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 2rk3 h LYS 89 CO -0.01 -0.04 -0.18 1.49 -2.27 0.00 0.00 179.45 178.43 2rk3 h GLU 90 N -0.07 0.99 -0.39 1.90 4.57 -1.10 0.35 114.58 120.83 2rk3 h GLU 90 Ca 0.19 -0.41 0.00 0.00 -1.18 0.00 0.00 59.36 57.96 2rk3 h GLU 90 Cb 0.35 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.88 2rk3 h GLU 90 CO -0.42 1.08 0.25 0.82 -1.18 0.00 0.00 179.01 179.56 2rk3 h ILE 91 N 0.84 1.11 -0.45 2.32 2.04 -0.85 -0.39 117.51 122.14 2rk3 h ILE 91 Ca 0.12 -0.23 -0.11 0.00 1.00 0.00 0.00 64.86 65.63 2rk3 h ILE 91 Cb 0.76 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 2rk3 h ILE 91 CO 0.06 0.11 -0.16 -0.07 0.00 0.00 0.00 178.15 178.10 2rk3 h LEU 92 N 0.53 0.91 -0.52 1.44 3.38 -0.90 -0.75 115.31 119.40 2rk3 h LEU 92 Ca 0.14 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.73 2rk3 h LEU 92 Cb -0.04 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 2rk3 h LEU 92 CO -0.03 1.09 0.33 0.11 0.09 0.00 0.00 178.44 180.02 2rk3 h LYS 93 N 0.73 0.69 -0.50 1.13 1.79 -0.76 0.40 116.57 120.06 2rk3 h LYS 93 Ca 0.11 -0.05 -0.08 0.00 -2.18 0.00 0.00 60.65 58.45 2rk3 h LYS 93 Cb 0.71 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 31.19 2rk3 h LYS 93 CO 0.05 0.48 -0.00 0.93 -1.08 0.00 0.00 179.45 179.83 2rk3 h GLU 94 N 0.70 0.84 -0.42 3.15 5.08 -0.95 0.33 114.58 123.31 2rk3 h GLU 94 Ca 0.19 -0.23 -0.11 0.00 -1.00 0.00 0.00 59.36 58.20 2rk3 h GLU 94 Cb -0.04 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 2rk3 h GLU 94 CO -0.04 0.84 -0.18 0.37 -1.00 0.00 0.00 179.01 179.00 2rk3 h GLN 95 N 0.78 0.86 -0.76 2.33 5.75 -0.74 -1.74 115.11 121.59 2rk3 h GLN 95 Ca 0.15 -0.37 -0.01 0.00 -0.15 0.00 0.00 58.65 58.27 2rk3 h GLN 95 Cb 0.47 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.96 2rk3 h GLN 95 CO 0.02 1.01 0.43 1.49 -2.65 0.00 0.00 178.83 179.13 2rk3 h GLU 96 N 0.68 1.05 0.00 1.69 4.81 -0.73 -0.30 114.58 121.77 2rk3 h GLU 96 Ca 0.10 -0.11 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 2rk3 h GLU 96 Cb 0.74 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 2rk3 h GLU 96 CO 0.06 0.77 -0.25 -0.97 -0.73 0.00 0.00 179.01 177.88 2rk3 h ASN 97 N 1.04 0.00 -0.28 1.04 -1.24 -0.44 -1.64 115.58 114.07 2rk3 h ASN 97 Ca 0.27 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.28 2rk3 h ASN 97 Cb 0.01 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.06 2rk3 h ASN 97 CO -0.05 0.25 0.00 -2.11 -1.29 0.00 0.00 177.43 174.23 2rk3 n ARG 98 N -3.70 2.13 -3.28 6.67 1.85 -0.70 -4.95 116.66 114.68 2rk3 n ARG 98 Ca -0.01 -1.70 -0.17 0.00 -1.00 0.00 0.00 57.85 54.96 2rk3 n ARG 98 Cb 0.36 -1.45 0.06 0.00 -1.05 0.00 0.00 32.46 30.38 2rk3 n ARG 98 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2rk3 n LYS 99 N 0.93 -5.79 -4.02 2.89 5.02 -0.62 -5.02 118.16 111.55 2rk3 n LYS 99 Ca 0.18 0.61 -0.25 0.00 -2.02 0.00 0.00 58.31 56.83 2rk3 n LYS 99 Cb 0.47 -4.99 -0.04 0.00 -0.02 0.00 0.00 35.03 30.45 2rk3 n LYS 99 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2rk3 s GLY 100 N -3.31 1.60 0.34 0.72 0.00 -0.17 -5.04 107.32 101.47 2rk3 s GLY 100 Ca 0.39 -1.18 -0.28 0.00 0.00 0.00 0.00 44.72 43.65 2rk3 s GLY 100 CO 0.54 -1.19 1.26 -2.27 0.00 0.00 0.00 173.10 171.44 2rk3 s LEU 101 N -3.37 4.39 -0.09 0.66 2.96 -1.21 -4.54 118.68 117.49 2rk3 s LEU 101 Ca 0.33 2.59 0.02 0.00 -0.22 0.00 0.00 54.13 56.84 2rk3 s LEU 101 Cb -0.10 -3.72 0.01 0.00 0.50 0.00 0.00 46.19 42.88 2rk3 s LEU 101 CO 0.26 -0.53 -0.14 -0.63 -1.32 0.00 0.00 176.35 173.99 2rk3 s ILE 102 N -1.19 1.37 -0.08 6.68 1.01 -0.45 -2.03 121.20 126.51 2rk3 s ILE 102 Ca 0.50 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 60.59 2rk3 s ILE 102 Cb -0.37 -1.26 0.01 0.00 0.01 0.00 0.00 42.46 40.85 2rk3 s ILE 102 CO 0.49 0.41 -0.13 0.00 0.00 0.00 0.00 174.94 175.71 2rk3 s ALA 103 N 0.89 1.43 0.05 9.38 0.00 -0.11 -1.57 121.76 131.83 2rk3 s ALA 103 Ca -0.09 -0.54 -0.15 0.00 0.00 0.00 0.00 51.96 51.18 2rk3 s ALA 103 Cb -0.15 -0.68 0.03 0.00 0.00 0.00 0.00 23.12 22.32 2rk3 s ALA 103 CO 0.01 0.04 0.34 -0.08 0.00 0.00 0.00 175.76 176.06 2rk3 s THR 104 N 0.81 0.07 0.03 0.00 -1.32 -0.33 -1.00 115.64 113.90 2rk3 s THR 104 Ca -0.11 -0.62 0.02 0.00 -1.21 0.00 0.00 61.69 59.77 2rk3 s THR 104 Cb -0.15 -0.97 -0.02 0.00 -1.51 0.00 0.00 72.50 69.85 2rk3 s THR 104 CO 0.02 -0.34 -0.08 -0.51 -2.21 0.00 0.00 174.62 171.50 2rk3 s ILE 105 N -2.66 0.58 0.00 5.08 2.07 -1.08 -2.09 121.20 123.11 2rk3 s ILE 105 Ca -0.04 -0.78 0.00 0.00 -1.41 0.00 0.00 60.65 58.42 2rk3 s ILE 105 Cb -0.00 -0.58 0.00 0.00 0.13 0.00 0.00 42.46 42.00 2rk3 s ILE 105 CO -0.04 -0.16 0.00 0.00 -1.91 0.00 0.00 174.94 172.84 2rk3 n ALA 107 N 8.31 2.96 -0.31 0.00 0.00 -1.26 -1.24 120.51 128.96 2rk3 n ALA 107 Ca 0.00 -0.24 0.17 0.00 0.00 0.00 0.00 53.44 53.37 2rk3 n ALA 107 Cb 0.00 -1.21 0.42 0.00 0.00 0.00 0.00 19.45 18.66 2rk3 n ALA 107 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2rk3 h GLY 108 N 4.66 1.38 2.00 0.00 0.00 -1.13 -0.84 103.07 109.13 2rk3 h GLY 108 Ca 0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.05 2rk3 h GLY 108 CO 0.00 -0.06 -0.01 -2.55 0.00 0.00 0.00 176.54 173.93 2rk3 h PRO 109 N 0.58 0.00 0.00 4.80 0.11 -1.76 -1.11 132.00 134.62 2rk3 h PRO 109 Ca 0.55 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.66 2rk3 h PRO 109 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2rk3 h PRO 109 CO -0.30 0.01 0.00 1.79 -0.21 0.00 0.00 178.00 179.29 2rk3 h THR 110 N 0.00 0.00 -0.02 -1.15 1.35 -1.46 -0.29 112.91 111.34 2rk3 h THR 110 Ca -0.00 -0.22 -0.09 0.00 -0.55 0.00 0.00 66.41 65.55 2rk3 h THR 110 Cb 0.02 1.13 -0.01 0.00 -1.73 0.00 0.00 68.15 67.57 2rk3 h THR 110 CO 0.00 0.00 -0.42 0.00 -0.25 0.00 0.00 175.52 174.85 2rk3 h ALA 111 N 2.03 1.26 -0.55 6.62 0.00 -1.36 -2.03 119.26 125.23 2rk3 h ALA 111 Ca 0.00 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 2rk3 h ALA 111 Cb 0.23 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2rk3 h ALA 111 CO 0.00 0.55 0.34 -0.07 0.00 0.00 0.00 179.25 180.06 2rk3 h LEU 112 N 0.04 0.66 0.02 0.00 3.38 -1.18 -1.98 115.31 116.26 2rk3 h LEU 112 Ca -0.00 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2rk3 h LEU 112 Cb 0.77 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.35 2rk3 h LEU 112 CO 0.06 0.52 -0.01 0.25 0.09 0.00 0.00 178.44 179.35 2rk3 h LEU 113 N 0.75 -0.03 -1.36 1.67 5.85 -1.40 0.44 115.31 121.22 2rk3 h LEU 113 Ca 0.20 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.97 2rk3 h LEU 113 Cb -0.02 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 2rk3 h LEU 113 CO -0.04 -0.00 0.48 0.00 -0.34 0.00 0.00 178.44 178.55 2rk3 h ALA 114 N 0.93 1.68 -0.70 1.25 0.00 -1.20 -2.14 119.26 119.08 2rk3 h ALA 114 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2rk3 h ALA 114 Cb 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.63 2rk3 h ALA 114 CO 0.01 0.21 0.00 0.72 0.00 0.00 0.00 179.25 180.18 2rk3 n HIS 115 N -4.48 0.97 -3.56 0.00 8.25 -0.76 -4.97 115.22 110.66 2rk3 n HIS 115 Ca 0.11 -0.51 -0.22 0.00 -0.26 0.00 0.00 57.72 56.84 2rk3 n HIS 115 Cb 0.22 -0.02 0.08 0.00 1.12 0.00 0.00 29.99 31.39 2rk3 n HIS 115 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 2rk3 n GLU 116 N 1.52 -7.32 -3.97 -0.41 1.02 -0.36 -4.92 120.64 106.19 2rk3 n GLU 116 Ca 0.24 0.82 -0.35 0.00 -0.02 0.00 0.00 57.16 57.84 2rk3 n GLU 116 Cb 0.62 -5.84 -0.09 0.00 -0.02 0.00 0.00 31.44 26.11 2rk3 n GLU 116 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2rk3 s ILE 117 N -3.34 4.93 -0.79 -3.67 -1.09 0.00 -4.60 121.20 112.63 2rk3 s ILE 117 Ca 0.38 0.01 0.00 0.00 -2.23 0.00 0.00 60.65 58.81 2rk3 s ILE 117 Cb -0.17 -3.21 0.00 0.00 -1.58 0.00 0.00 42.46 37.50 2rk3 s ILE 117 CO 0.74 0.48 0.00 0.61 -1.23 0.00 0.00 174.94 175.54 2rk3 n GLY 118 N 3.28 0.80 3.69 6.18 0.00 -1.26 -4.62 105.19 113.27 2rk3 n GLY 118 Ca -0.17 -0.67 -0.41 0.00 0.00 0.00 0.00 46.02 44.77 2rk3 n GLY 118 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2rk3 n PHE 119 N -3.01 1.99 -0.17 1.61 0.99 -1.26 -1.90 117.46 115.71 2rk3 n PHE 119 Ca -0.08 0.51 0.00 0.00 -0.00 0.00 0.00 57.45 57.88 2rk3 n PHE 119 Cb 0.31 -2.35 0.00 0.00 -1.00 0.00 0.00 39.48 36.44 2rk3 n PHE 119 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 2rk3 n GLY 120 N 0.87 1.10 3.80 1.37 0.00 0.56 -5.02 105.19 107.87 2rk3 n GLY 120 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 2rk3 n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2rk3 s SER 121 N -2.93 6.42 0.02 1.61 0.01 -0.80 -4.68 113.70 113.35 2rk3 s SER 121 Ca 0.00 1.89 -0.30 0.00 1.31 0.00 0.00 55.95 58.84 2rk3 s SER 121 Cb 0.00 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.64 2rk3 s SER 121 CO 0.00 -0.73 0.99 -0.75 0.41 0.00 0.00 173.24 173.16 2rk3 s LYS 122 N -3.26 4.58 0.04 12.44 2.20 -1.26 -1.57 119.74 132.90 2rk3 s LYS 122 Ca 0.66 1.44 -0.01 0.00 -0.36 0.00 0.00 55.97 57.71 2rk3 s LYS 122 Cb -0.15 -3.44 -0.03 0.00 -1.51 0.00 0.00 37.83 32.70 2rk3 s LYS 122 CO 0.19 -0.01 -0.02 0.14 -0.36 0.00 0.00 175.35 175.29 2rk3 s VAL 123 N 0.83 0.17 0.35 4.02 -7.23 -0.22 -4.37 120.40 113.95 2rk3 s VAL 123 Ca 0.51 -1.39 0.07 0.00 -1.81 0.00 0.00 61.98 59.37 2rk3 s VAL 123 Cb -0.22 -0.95 -0.07 0.00 0.56 0.00 0.00 36.38 35.70 2rk3 s VAL 123 CO 0.28 -0.77 -0.03 0.28 -0.31 0.00 0.00 175.10 174.56 2rk3 s THR 124 N -2.81 1.92 0.34 5.32 -1.32 -1.26 -0.49 115.64 117.34 2rk3 s THR 124 Ca -0.03 -2.09 -0.04 0.00 -1.21 0.00 0.00 61.69 58.32 2rk3 s THR 124 Cb -0.00 -2.76 0.01 0.00 -1.51 0.00 0.00 72.50 68.24 2rk3 s THR 124 CO -0.06 -0.12 0.50 0.42 -2.21 0.00 0.00 174.62 173.15 2rk3 s THR 125 N -2.80 0.00 0.51 5.08 -4.23 -1.26 -4.23 115.64 108.71 2rk3 s THR 125 Ca 0.33 -1.55 -0.23 0.00 -1.18 0.00 0.00 61.69 59.06 2rk3 s THR 125 Cb 0.06 -2.65 -0.06 0.00 1.34 0.00 0.00 72.50 71.19 2rk3 s THR 125 CO 0.16 0.00 1.39 -2.28 -0.54 0.00 0.00 174.62 173.35 2rk3 s HIS 126 N -3.02 2.34 0.36 3.99 2.46 -0.37 -4.53 115.29 116.52 2rk3 s HIS 126 Ca 0.29 1.32 0.12 0.00 0.47 0.00 0.00 55.06 57.27 2rk3 s HIS 126 Cb -0.01 -3.86 0.93 0.00 -0.13 0.00 0.00 32.58 29.52 2rk3 s HIS 126 CO 0.19 -2.95 1.78 -1.35 -2.47 0.00 0.00 174.74 169.95 2rk3 h PRO 127 N 1.80 0.55 0.00 2.88 0.11 -1.92 0.09 132.00 135.50 2rk3 h PRO 127 Ca -0.51 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.57 2rk3 h PRO 127 Cb 1.29 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2rk3 h PRO 127 CO 0.59 0.36 0.00 1.28 -0.21 0.00 0.00 178.00 180.02 2rk3 n LEU 128 N -4.69 0.56 -0.78 2.35 4.77 -1.26 -2.57 117.00 115.39 2rk3 n LEU 128 Ca 0.24 0.61 0.12 0.00 -0.03 0.00 0.00 56.01 56.95 2rk3 n LEU 128 Cb 0.71 -0.50 0.12 0.00 -2.33 0.00 0.00 43.42 41.41 2rk3 n LEU 128 CO 0.24 -0.40 0.56 0.00 -1.33 0.00 0.00 177.39 176.46 2rk3 n ALA 129 N -1.72 2.78 0.08 -1.18 0.00 -0.00 -4.61 120.51 115.86 2rk3 n ALA 129 Ca 0.03 -0.65 -0.12 0.00 0.00 0.00 0.00 53.44 52.71 2rk3 n ALA 129 Cb 0.27 -0.84 -0.06 0.00 0.00 0.00 0.00 19.45 18.82 2rk3 n ALA 129 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2rk3 h LYS 130 N 3.82 -0.24 -0.85 0.00 3.64 -1.30 -1.49 116.57 120.16 2rk3 h LYS 130 Ca 0.00 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 2rk3 h LYS 130 Cb 0.88 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.71 2rk3 h LYS 130 CO 0.00 -0.16 0.55 -0.44 -2.27 0.00 0.00 179.45 177.13 2rk3 h ASP 131 N -0.24 0.93 -0.32 4.20 3.32 -1.81 -0.13 116.42 122.36 2rk3 h ASP 131 Ca 0.03 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 2rk3 h ASP 131 Cb 0.27 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 2rk3 h ASP 131 CO -0.08 0.65 0.09 0.50 -1.72 0.00 0.00 179.24 178.68 2rk3 h LYS 132 N 1.09 0.50 -0.46 3.56 3.64 -1.82 -2.68 116.57 120.41 2rk3 h LYS 132 Ca 0.33 -0.11 -0.03 0.00 -1.27 0.00 0.00 60.65 59.57 2rk3 h LYS 132 Cb -0.04 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 2rk3 h LYS 132 CO -0.10 0.55 0.16 1.98 -2.27 0.00 0.00 179.45 179.77 2rk3 h MET 133 N 0.36 0.67 -0.10 1.90 4.05 -0.53 -2.82 114.93 118.46 2rk3 h MET 133 Ca 0.10 -0.10 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2rk3 h MET 133 Cb 0.26 -0.12 0.00 0.00 -0.80 0.00 0.00 31.60 30.94 2rk3 h MET 133 CO -0.00 0.57 0.00 -1.33 0.23 0.00 0.00 176.91 176.38 2rk3 n MET 134 N -4.34 1.65 -1.82 0.39 2.81 -0.13 -4.74 117.12 110.95 2rk3 n MET 134 Ca 0.03 -0.97 -0.43 0.00 -1.81 0.00 0.00 57.70 54.53 2rk3 n MET 134 Cb 0.17 -1.43 -0.03 0.00 -0.71 0.00 0.00 33.22 31.23 2rk3 n MET 134 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 2rk3 s ASN 135 N -1.74 6.06 0.00 7.83 3.84 -1.03 -0.92 114.94 128.99 2rk3 s ASN 135 Ca 0.35 1.99 0.00 0.00 0.21 0.00 0.00 52.86 55.40 2rk3 s ASN 135 Cb 0.19 -2.52 0.00 0.00 -0.55 0.00 0.00 41.25 38.36 2rk3 s ASN 135 CO 0.29 -1.46 0.00 0.61 -2.79 0.00 0.00 177.10 173.75 2rk3 n GLY 136 N 5.03 0.61 2.36 1.21 0.00 -1.26 -4.54 105.19 108.59 2rk3 n GLY 136 Ca 0.23 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.13 2rk3 n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2rk3 n GLY 137 N -2.00 -0.05 0.05 -0.02 0.00 -0.10 -4.92 105.19 98.16 2rk3 n GLY 137 Ca 0.00 -0.32 0.13 0.00 0.00 0.00 0.00 46.02 45.83 2rk3 n GLY 137 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2rk3 n HIS 138 N -3.98 0.00 -4.25 1.61 8.25 -1.26 -4.83 115.22 110.75 2rk3 n HIS 138 Ca -0.10 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.22 2rk3 n HIS 138 Cb 0.58 -0.29 -0.10 0.00 1.12 0.00 0.00 29.99 31.30 2rk3 n HIS 138 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2rk3 s TYR 139 N -2.78 1.27 -0.14 4.41 1.51 -1.26 -0.32 117.35 120.03 2rk3 s TYR 139 Ca 0.19 -0.99 -0.03 0.00 -1.01 0.00 0.00 57.07 55.23 2rk3 s TYR 139 Cb 0.19 -0.72 -0.03 0.00 -0.11 0.00 0.00 41.96 41.29 2rk3 s TYR 139 CO 0.56 -0.17 -0.06 0.99 -1.11 0.00 0.00 175.55 175.76 2rk3 s THR 140 N -3.60 3.72 0.22 -0.71 2.01 -0.61 -4.97 115.64 111.70 2rk3 s THR 140 Ca 0.24 -0.43 -0.12 0.00 0.31 0.00 0.00 61.69 61.69 2rk3 s THR 140 Cb 0.06 -2.61 -0.08 0.00 0.01 0.00 0.00 72.50 69.89 2rk3 s THR 140 CO 0.04 0.51 0.59 -0.47 -0.69 0.00 0.00 174.62 174.61 2rk3 s TYR 141 N 0.22 3.48 0.02 4.92 5.04 -1.26 -1.05 117.35 128.71 2rk3 s TYR 141 Ca -0.04 1.02 0.04 0.00 -2.44 0.00 0.00 57.07 55.65 2rk3 s TYR 141 Cb -0.14 -2.36 -0.02 0.00 0.35 0.00 0.00 41.96 39.79 2rk3 s TYR 141 CO 0.03 0.28 -0.11 0.45 -1.34 0.00 0.00 175.55 174.87 2rk3 s SER 142 N -2.13 1.27 0.00 4.32 0.15 0.35 -4.86 113.70 112.81 2rk3 s SER 142 Ca 0.46 -0.35 0.23 0.00 0.70 0.00 0.00 55.95 56.99 2rk3 s SER 142 Cb -0.12 -0.09 0.50 0.00 -1.71 0.00 0.00 66.02 64.60 2rk3 s SER 142 CO 0.20 0.03 1.43 -0.62 1.20 0.00 0.00 173.24 175.48 2rk3 n GLU 143 N 2.24 2.30 -1.76 5.44 1.02 -1.26 -4.25 120.64 124.36 2rk3 n GLU 143 Ca -0.17 -1.96 -0.39 0.00 -0.02 0.00 0.00 57.16 54.62 2rk3 n GLU 143 Cb 0.56 -1.48 0.04 0.00 -0.02 0.00 0.00 31.44 30.53 2rk3 n GLU 143 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2rk3 s ASN 144 N -1.53 5.35 0.29 1.62 0.01 -1.26 -4.90 114.94 114.52 2rk3 s ASN 144 Ca 0.37 2.82 0.02 0.00 -0.71 0.00 0.00 52.86 55.35 2rk3 s ASN 144 Cb 0.21 -2.64 0.44 0.00 0.41 0.00 0.00 41.25 39.67 2rk3 s ASN 144 CO 0.30 -1.52 1.77 0.03 -1.51 0.00 0.00 177.10 176.17 2rk3 h ARG 145 N 1.61 0.57 -4.85 -0.60 3.08 -1.94 -3.40 114.38 108.84 2rk3 h ARG 145 Ca -0.51 -0.17 -0.50 0.00 0.07 0.00 0.00 59.98 58.87 2rk3 h ARG 145 Cb 1.30 -0.06 -0.32 0.00 0.08 0.00 0.00 29.97 30.97 2rk3 h ARG 145 CO 0.58 0.68 -0.81 0.08 -1.07 0.00 0.00 179.97 179.43 2rk3 s VAL 146 N -4.73 1.10 -0.03 2.04 1.01 -1.26 -3.04 120.40 115.49 2rk3 s VAL 146 Ca -0.08 -0.52 0.06 0.00 0.00 0.00 0.00 61.98 61.44 2rk3 s VAL 146 Cb 0.14 -0.97 -0.01 0.00 0.00 0.00 0.00 36.38 35.54 2rk3 s VAL 146 CO 0.79 0.33 -0.20 -0.70 0.00 0.00 0.00 175.10 175.32 2rk3 s GLU 147 N 0.24 1.76 -0.04 2.72 2.56 0.00 -5.00 118.70 120.94 2rk3 s GLU 147 Ca -0.06 -0.72 -0.01 0.00 0.00 0.00 0.00 54.97 54.19 2rk3 s GLU 147 Cb -0.11 -1.64 0.03 0.00 2.00 0.00 0.00 34.13 34.41 2rk3 s GLU 147 CO 0.02 0.39 0.02 0.21 -0.56 0.00 0.00 175.26 175.34 2rk3 s LYS 148 N -0.33 0.24 -0.36 4.30 2.20 -1.26 -0.67 119.74 123.87 2rk3 s LYS 148 Ca 0.04 0.19 0.02 0.00 -0.36 0.00 0.00 55.97 55.86 2rk3 s LYS 148 Cb -0.09 -0.62 0.11 0.00 -1.51 0.00 0.00 37.83 35.71 2rk3 s LYS 148 CO 0.00 -0.25 0.11 0.34 -0.36 0.00 0.00 175.35 175.20 2rk3 s ASP 149 N 1.69 4.31 1.98 1.43 -1.08 -0.35 -5.01 116.67 119.63 2rk3 s ASP 149 Ca -0.01 -2.13 0.00 0.00 -0.52 0.00 0.00 52.55 49.89 2rk3 s ASP 149 Cb -0.13 -1.28 0.00 0.00 -1.46 0.00 0.00 42.92 40.05 2rk3 s ASP 149 CO -0.03 -0.36 0.00 0.61 0.52 0.00 0.00 175.17 175.91 2rk3 n GLY 150 N 4.24 3.99 0.48 2.66 0.00 -1.26 -1.85 105.19 113.45 2rk3 n GLY 150 Ca 0.03 0.03 0.05 0.00 0.00 0.00 0.00 46.02 46.12 2rk3 n GLY 150 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2rk3 n LEU 151 N 0.00 1.40 -4.19 0.99 4.77 -1.26 -4.66 117.00 114.05 2rk3 n LEU 151 Ca 0.00 -0.69 -0.36 0.00 -0.03 0.00 0.00 56.01 54.94 2rk3 n LEU 151 Cb 0.00 -0.17 -0.13 0.00 -2.33 0.00 0.00 43.42 40.79 2rk3 n LEU 151 CO 0.00 0.34 -0.32 -0.63 -1.33 0.00 0.00 177.39 175.46 2rk3 s ILE 152 N -1.67 3.17 -0.24 -0.08 -1.09 -0.77 -1.35 121.20 119.18 2rk3 s ILE 152 Ca 0.19 -1.40 -0.03 0.00 -2.23 0.00 0.00 60.65 57.19 2rk3 s ILE 152 Cb 0.10 -2.85 0.01 0.00 -1.58 0.00 0.00 42.46 38.14 2rk3 s ILE 152 CO 0.14 -0.18 -0.05 -0.22 -1.23 0.00 0.00 174.94 173.40 2rk3 s LEU 153 N 1.27 3.08 0.24 2.97 2.96 -0.61 -1.21 118.68 127.39 2rk3 s LEU 153 Ca -0.03 -0.69 0.07 0.00 -0.22 0.00 0.00 54.13 53.26 2rk3 s LEU 153 Cb -0.20 -1.69 -0.05 0.00 0.50 0.00 0.00 46.19 44.74 2rk3 s LEU 153 CO -0.01 -0.09 -0.11 0.42 -1.32 0.00 0.00 176.35 175.24 2rk3 s THR 154 N 1.39 1.72 0.31 3.68 -4.23 0.16 -1.18 115.64 117.48 2rk3 s THR 154 Ca 0.03 -2.18 -0.16 0.00 -1.18 0.00 0.00 61.69 58.20 2rk3 s THR 154 Cb -0.16 -2.22 0.02 0.00 1.34 0.00 0.00 72.50 71.48 2rk3 s THR 154 CO -0.04 -0.46 0.65 -0.55 -0.54 0.00 0.00 174.62 173.68 2rk3 s SER 155 N -3.38 -0.02 -0.23 3.99 0.15 -0.89 -0.82 113.70 112.51 2rk3 s SER 155 Ca 0.26 -0.93 0.06 0.00 0.70 0.00 0.00 55.95 56.04 2rk3 s SER 155 Cb 0.01 0.72 -0.20 0.00 -1.71 0.00 0.00 66.02 64.84 2rk3 s SER 155 CO 0.09 -1.38 -0.09 0.54 1.20 0.00 0.00 173.24 173.60 2rk3 n ARG 156 N -0.47 0.67 -3.01 5.44 1.74 -1.17 -1.22 116.66 118.64 2rk3 n ARG 156 Ca -0.04 0.12 0.01 0.00 -0.77 0.00 0.00 57.85 57.16 2rk3 n ARG 156 Cb 0.60 -1.54 0.01 0.00 -1.02 0.00 0.00 32.46 30.51 2rk3 n ARG 156 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2rk3 n GLY 157 N 2.08 0.55 0.27 -0.13 0.00 -1.26 -2.19 105.19 104.51 2rk3 n GLY 157 Ca -0.41 -0.99 0.04 0.00 0.00 0.00 0.00 46.02 44.67 2rk3 n GLY 157 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2rk3 h PRO 158 N 0.00 0.43 0.00 1.61 0.11 -1.98 -0.61 132.00 131.55 2rk3 h PRO 158 Ca -0.13 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.95 2rk3 h PRO 158 Cb 0.68 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.69 2rk3 h PRO 158 CO 0.19 0.28 0.00 0.41 -0.21 0.00 0.00 178.00 178.67 2rk3 n GLY 159 N -1.32 -0.78 0.58 -0.55 0.00 -1.26 -1.77 105.19 100.10 2rk3 n GLY 159 Ca 0.13 -0.13 0.05 0.00 0.00 0.00 0.00 46.02 46.07 2rk3 n GLY 159 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2rk3 n THR 160 N -1.07 0.79 -0.14 2.61 -2.24 -0.26 -4.75 114.28 109.23 2rk3 n THR 160 Ca 0.15 -0.90 -0.07 0.00 -2.27 0.00 0.00 64.05 60.96 2rk3 n THR 160 Cb 0.10 0.65 0.09 0.00 -2.10 0.00 0.00 70.33 69.07 2rk3 n THR 160 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2rk3 h SER 161 N 2.01 0.87 -0.37 3.42 0.02 -1.13 0.18 113.55 118.55 2rk3 h SER 161 Ca 0.00 -0.26 -0.03 0.00 -0.84 0.00 0.00 61.79 60.66 2rk3 h SER 161 Cb 0.67 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.96 2rk3 h SER 161 CO 0.00 0.98 0.12 -0.26 -1.14 0.00 0.00 176.83 176.53 2rk3 h PHE 162 N 0.80 0.59 -0.55 3.45 -1.00 -1.85 -0.30 116.94 118.07 2rk3 h PHE 162 Ca 0.14 -0.06 -0.00 0.00 2.81 0.00 0.00 57.97 60.86 2rk3 h PHE 162 Cb 0.59 -0.17 -0.03 0.00 3.61 0.00 0.00 35.95 39.96 2rk3 h PHE 162 CO 0.03 0.56 0.33 0.93 -1.61 0.00 0.00 178.31 178.55 2rk3 h GLU 163 N 0.45 0.74 -0.01 1.51 5.08 -1.81 -0.15 114.58 120.39 2rk3 h GLU 163 Ca 0.12 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.43 2rk3 h GLU 163 Cb 0.24 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2rk3 h GLU 163 CO -0.01 0.53 -0.09 0.35 -1.00 0.00 0.00 179.01 178.79 2rk3 h PHE 164 N 0.73 -0.23 -0.69 4.33 3.57 -0.87 -0.74 116.94 123.05 2rk3 h PHE 164 Ca 0.20 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 2rk3 h PHE 164 Cb -0.02 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 2rk3 h PHE 164 CO -0.03 -0.14 0.40 0.00 -2.23 0.00 0.00 178.31 176.31 2rk3 h ALA 165 N 0.83 0.88 0.00 2.41 0.00 -0.77 -1.57 119.26 121.03 2rk3 h ALA 165 Ca 0.04 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 2rk3 h ALA 165 Cb 0.21 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2rk3 h ALA 165 CO -0.10 0.37 -0.38 -0.07 0.00 0.00 0.00 179.25 179.07 2rk3 h LEU 166 N 0.94 0.00 -0.60 0.00 3.38 -0.90 -1.08 115.31 117.05 2rk3 h LEU 166 Ca 0.24 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.11 2rk3 h LEU 166 Cb -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2rk3 h LEU 166 CO -0.04 0.38 -0.08 0.00 0.09 0.00 0.00 178.44 178.78 2rk3 h ALA 167 N 1.62 0.80 -0.34 1.53 0.00 -0.51 -0.02 119.26 122.35 2rk3 h ALA 167 Ca -0.00 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 2rk3 h ALA 167 Cb 0.71 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2rk3 h ALA 167 CO 0.05 0.67 0.18 0.82 0.00 0.00 0.00 179.25 180.97 2rk3 h ILE 168 N 0.91 1.14 -0.50 0.00 2.04 -0.78 -1.01 117.51 119.32 2rk3 h ILE 168 Ca 0.15 -0.38 0.03 0.00 1.00 0.00 0.00 64.86 65.67 2rk3 h ILE 168 Cb 0.64 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 2rk3 h ILE 168 CO 0.04 0.14 0.28 0.58 0.00 0.00 0.00 178.15 179.20 2rk3 h VAL 169 N 0.42 1.00 -0.73 1.67 2.07 -1.00 -1.15 116.25 118.53 2rk3 h VAL 169 Ca 0.12 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 2rk3 h VAL 169 Cb 0.07 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 2rk3 h VAL 169 CO -0.02 0.10 0.33 -0.08 0.02 0.00 0.00 177.57 177.92 2rk3 h GLU 170 N 0.55 1.06 -0.30 1.57 4.81 -0.81 0.27 114.58 121.73 2rk3 h GLU 170 Ca 0.21 -0.17 -0.06 0.00 -0.13 0.00 0.00 59.36 59.22 2rk3 h GLU 170 Cb 0.08 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 2rk3 h GLU 170 CO -0.12 0.84 -0.07 0.00 -0.73 0.00 0.00 179.01 178.92 2rk3 h ALA 171 N 1.16 1.33 0.07 2.92 0.00 -0.54 -0.60 119.26 123.59 2rk3 h ALA 171 Ca 0.25 -0.23 -0.36 0.00 0.00 0.00 0.00 54.91 54.57 2rk3 h ALA 171 Cb 0.14 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 2rk3 h ALA 171 CO -0.03 0.45 -2.04 1.28 0.00 0.00 0.00 179.25 178.92 2rk3 n LEU 172 N -4.24 2.54 -0.06 0.00 4.32 -0.49 -4.68 117.00 114.38 2rk3 n LEU 172 Ca 0.01 0.17 0.02 0.00 -0.02 0.00 0.00 56.01 56.19 2rk3 n LEU 172 Cb 0.28 -1.02 -0.01 0.00 -1.62 0.00 0.00 43.42 41.05 2rk3 n LEU 172 CO 0.39 0.76 0.12 0.59 -1.22 0.00 0.00 177.39 178.03 2rk3 n ASN 173 N -3.65 0.62 0.00 -1.43 3.02 0.92 -5.00 115.26 109.74 2rk3 n ASN 173 Ca -0.37 -0.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.37 2rk3 n ASN 173 Cb 0.96 0.60 0.00 0.00 -0.61 0.00 0.00 39.78 40.73 2rk3 n ASN 173 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2rk3 n GLY 174 N 0.74 1.28 0.38 7.41 0.00 -0.23 -4.45 105.19 110.31 2rk3 n GLY 174 Ca 0.01 -1.88 -0.02 0.00 0.00 0.00 0.00 46.02 44.13 2rk3 n GLY 174 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2rk3 h LYS 175 N 0.00 1.31 -0.22 1.61 1.57 -1.89 -2.22 116.57 116.74 2rk3 h LYS 175 Ca 0.00 -0.08 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 2rk3 h LYS 175 Cb 0.00 -0.29 -0.01 0.00 0.08 0.00 0.00 32.23 32.01 2rk3 h LYS 175 CO 0.00 0.87 0.05 1.49 -0.57 0.00 0.00 179.45 181.29 2rk3 h GLU 176 N 1.35 0.35 -0.59 3.15 4.81 -1.96 -0.50 114.58 121.18 2rk3 h GLU 176 Ca 0.36 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 2rk3 h GLU 176 Cb -0.15 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.15 2rk3 h GLU 176 CO -0.08 0.47 0.38 0.28 -0.73 0.00 0.00 179.01 179.33 2rk3 h VAL 177 N 0.16 1.16 -0.63 0.32 2.07 -1.75 -1.11 116.25 116.47 2rk3 h VAL 177 Ca 0.07 -0.32 0.07 0.00 0.82 0.00 0.00 66.70 67.34 2rk3 h VAL 177 Cb 0.29 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 30.32 2rk3 h VAL 177 CO 0.00 0.16 0.31 0.00 0.02 0.00 0.00 177.57 178.06 2rk3 h ALA 178 N 1.20 0.84 -0.71 1.67 0.00 -1.15 -0.47 119.26 120.63 2rk3 h ALA 178 Ca 0.21 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 2rk3 h ALA 178 Cb -0.06 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2rk3 h ALA 178 CO -0.04 -0.05 0.19 0.00 0.00 0.00 0.00 179.25 179.34 2rk3 h ALA 179 N 1.36 0.99 -0.52 0.00 0.00 -0.70 -0.55 119.26 119.84 2rk3 h ALA 179 Ca 0.30 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 2rk3 h ALA 179 Cb 0.26 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2rk3 h ALA 179 CO -0.22 0.66 0.07 1.96 0.00 0.00 0.00 179.25 181.72 2rk3 h GLN 180 N 1.07 0.88 -0.52 0.00 4.20 -0.66 -2.69 115.11 117.38 2rk3 h GLN 180 Ca 0.23 -0.24 -0.10 0.00 0.06 0.00 0.00 58.65 58.59 2rk3 h GLN 180 Cb 0.35 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 2rk3 h GLN 180 CO -0.00 0.87 -0.09 0.28 -0.67 0.00 0.00 178.83 179.22 2rk3 h VAL 181 N 0.76 1.26 -0.62 -0.54 2.07 -0.93 -3.26 116.25 115.00 2rk3 h VAL 181 Ca 0.16 -1.21 -0.04 0.00 0.82 0.00 0.00 66.70 66.42 2rk3 h VAL 181 Cb 0.43 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 2rk3 h VAL 181 CO 0.01 0.43 0.22 0.50 0.02 0.00 0.00 177.57 178.75 2rk3 h LYS 182 N 0.86 0.94 -0.45 1.57 3.64 -0.89 -3.33 116.57 118.90 2rk3 h LYS 182 Ca 0.14 -0.19 0.03 0.00 -1.27 0.00 0.00 60.65 59.36 2rk3 h LYS 182 Cb 0.62 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 2rk3 h LYS 182 CO 0.04 0.82 0.25 0.00 -2.27 0.00 0.00 179.45 178.29 2rk3 h ALA 183 N 1.08 0.57 0.00 5.00 0.00 -1.52 -1.02 119.26 123.36 2rk3 h ALA 183 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2rk3 h ALA 183 Cb 0.25 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2rk3 h ALA 183 CO -0.01 -0.08 0.00 -2.30 0.00 0.00 0.00 179.25 176.86 2rk3 n PRO 184 N -4.86 0.13 0.19 0.00 -0.02 -1.25 -2.95 135.00 126.24 2rk3 n PRO 184 Ca 0.03 0.18 0.13 0.00 -2.02 0.00 0.00 63.50 61.82 2rk3 n PRO 184 Cb 0.09 -1.50 0.36 0.00 -0.02 0.00 0.00 33.50 32.43 2rk3 n PRO 184 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2rk3 h LEU 185 N 0.00 0.00 -1.28 2.45 3.38 -1.34 -3.47 115.31 115.05 2rk3 h LEU 185 Ca 0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 2rk3 h LEU 185 Cb 0.19 0.00 0.15 0.00 0.09 0.00 0.00 40.66 41.08 2rk3 h LEU 185 CO 0.00 0.00 -0.69 0.52 0.09 0.00 0.00 178.44 178.36 2rk3 n VAL 186 N -2.78 -4.32 -1.65 1.22 0.31 -1.15 -5.00 118.33 104.96 2rk3 n VAL 186 Ca 0.04 -0.25 -0.31 0.00 -0.01 0.00 0.00 64.34 63.81 2rk3 n VAL 186 Cb 0.43 -4.39 0.04 0.00 -0.91 0.00 0.00 33.84 29.02 2rk3 n VAL 186 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2rk3 s LEU 187 N -6.54 3.21 0.00 7.52 1.43 -1.26 -5.19 118.68 117.85 2rk3 s LEU 187 Ca 0.27 1.68 0.29 0.00 -1.03 0.00 0.00 54.13 55.34 2rk3 s LEU 187 Cb -0.12 -4.51 1.20 0.00 0.03 0.00 0.00 46.19 42.79 2rk3 s LEU 187 CO 0.69 -1.43 1.83 0.29 0.23 0.00 0.00 176.35 177.96