#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k4i s THR 10 N 0.00 -0.23 0.97 -0.72 2.01 -1.26 -5.10 115.64 111.30 3k4i s THR 10 Ca 0.00 0.13 -0.11 0.00 0.31 0.00 0.00 61.69 62.02 3k4i s THR 10 Cb 0.00 -0.61 0.17 0.00 0.01 0.00 0.00 72.50 72.08 3k4i s THR 10 CO 0.00 0.05 1.10 -2.84 -0.69 0.00 0.00 174.62 172.25 3k4i s PRO 11 N 1.81 0.64 -0.04 4.92 0.02 -1.26 -4.83 135.00 136.26 3k4i s PRO 11 Ca -0.07 1.22 0.02 0.00 0.02 0.00 0.00 61.00 62.20 3k4i s PRO 11 Cb -0.10 -1.71 -0.03 0.00 0.02 0.00 0.00 34.50 32.69 3k4i s PRO 11 CO -0.12 -2.79 -0.08 0.42 -0.33 0.00 0.00 177.00 174.10 3k4i s ILE 12 N -2.66 3.61 0.35 2.83 1.01 -1.26 -5.00 121.20 120.08 3k4i s ILE 12 Ca 0.66 -0.62 -0.28 0.00 0.00 0.00 0.00 60.65 60.41 3k4i s ILE 12 Cb -0.22 -2.50 -0.11 0.00 0.01 0.00 0.00 42.46 39.64 3k4i s ILE 12 CO 0.59 0.52 1.39 0.00 0.00 0.00 0.00 174.94 177.45 3k4i s ALA 13 N -0.87 3.54 0.25 9.38 0.00 -1.26 -4.90 121.76 127.89 3k4i s ALA 13 Ca 0.14 1.41 -0.05 0.00 0.00 0.00 0.00 51.96 53.46 3k4i s ALA 13 Cb -0.11 -3.54 0.31 0.00 0.00 0.00 0.00 23.12 19.77 3k4i s ALA 13 CO 0.04 -0.84 1.90 0.37 0.00 0.00 0.00 175.76 177.22 3k4i h GLN 14 N 3.22 1.18 -0.22 0.00 5.75 -1.99 -1.04 115.11 122.01 3k4i h GLN 14 Ca -0.50 -0.07 0.02 0.00 -0.15 0.00 0.00 58.65 57.95 3k4i h GLN 14 Cb 1.23 -0.27 -0.01 0.00 1.07 0.00 0.00 27.48 29.50 3k4i h GLN 14 CO 0.65 0.78 0.15 0.66 -2.65 0.00 0.00 178.83 178.42 3k4i h SER 15 N 1.22 0.17 -0.21 -0.69 4.64 -1.99 0.10 113.55 116.79 3k4i h SER 15 Ca 0.38 -0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.60 3k4i h SER 15 Cb -0.01 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.04 3k4i h SER 15 CO -0.12 0.12 -0.24 0.58 -0.87 0.00 0.00 176.83 176.29 3k4i h VAL 16 N 0.19 1.33 -0.77 0.95 2.07 -1.59 -2.03 116.25 116.40 3k4i h VAL 16 Ca 0.09 -1.42 0.01 0.00 0.82 0.00 0.00 66.70 66.20 3k4i h VAL 16 Cb 0.12 1.76 -0.04 0.00 -1.52 0.00 0.00 31.29 31.62 3k4i h VAL 16 CO -0.02 0.44 0.51 -0.07 0.02 0.00 0.00 177.57 178.45 3k4i h LEU 17 N 0.22 0.88 -0.22 2.57 3.38 -0.63 -2.38 115.31 119.12 3k4i h LEU 17 Ca 0.03 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 3k4i h LEU 17 Cb 0.80 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 3k4i h LEU 17 CO 0.06 0.64 -0.25 0.44 0.09 0.00 0.00 178.44 179.42 3k4i h ASP 18 N 1.04 0.61 -0.81 -0.43 3.32 -0.69 -2.62 116.42 116.84 3k4i h ASP 18 Ca 0.28 -0.49 0.00 0.00 0.02 0.00 0.00 57.03 56.85 3k4i h ASP 18 Cb -0.11 -0.17 -0.04 0.00 0.22 0.00 0.00 39.33 39.23 3k4i h ASP 18 CO -0.06 0.97 0.51 -0.08 -1.72 0.00 0.00 179.24 178.86 3k4i h GLU 19 N 0.26 1.08 0.00 3.56 4.57 -1.34 -2.48 114.58 120.23 3k4i h GLU 19 Ca 0.03 -0.08 -0.05 0.00 -1.18 0.00 0.00 59.36 58.08 3k4i h GLU 19 Cb 0.81 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 29.16 3k4i h GLU 19 CO 0.06 0.74 -0.23 0.00 -1.18 0.00 0.00 179.01 178.39 3k4i h GLU 21 N 0.00 0.00 -0.37 0.00 4.57 -1.07 -1.30 114.58 116.41 3k4i h GLU 21 Ca -0.00 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.10 3k4i h GLU 21 Cb 0.52 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.06 3k4i h GLU 21 CO 0.03 0.00 0.03 0.72 -1.18 0.00 0.00 179.01 178.61 3k4i n HIS 22 N -3.66 1.24 -4.19 0.92 8.25 -0.86 -5.01 115.22 111.91 3k4i n HIS 22 Ca -0.03 -1.11 -0.23 0.00 -0.26 0.00 0.00 57.72 56.09 3k4i n HIS 22 Cb 0.08 -0.42 -0.06 0.00 1.12 0.00 0.00 29.99 30.71 3k4i n HIS 22 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3k4i s LEU 23 N -2.96 3.33 0.23 2.41 1.43 -0.49 -5.12 118.68 117.51 3k4i s LEU 23 Ca 0.45 -0.62 0.07 0.00 -1.03 0.00 0.00 54.13 53.00 3k4i s LEU 23 Cb 0.37 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.72 3k4i s LEU 23 CO 0.07 -0.11 0.14 -1.81 0.23 0.00 0.00 176.35 174.87 3k4i s ASP 24 N -3.77 5.31 0.46 2.29 -0.00 -1.26 -5.01 116.67 114.69 3k4i s ASP 24 Ca 0.34 -0.31 0.13 0.00 -0.00 0.00 0.00 52.55 52.71 3k4i s ASP 24 Cb -0.05 -1.29 1.06 0.00 -0.00 0.00 0.00 42.92 42.64 3k4i s ASP 24 CO 0.22 -0.00 2.06 0.71 -0.00 0.00 0.00 175.17 178.15 3k4i h THR 25 N 1.72 0.99 -0.44 -1.27 1.35 -1.92 -2.20 112.91 111.13 3k4i h THR 25 Ca -0.48 -0.11 -0.08 0.00 -0.55 0.00 0.00 66.41 65.19 3k4i h THR 25 Cb 1.23 0.65 -0.01 0.00 -1.73 0.00 0.00 68.15 68.28 3k4i h THR 25 CO 0.61 0.06 -0.05 0.00 -0.25 0.00 0.00 175.52 175.89 3k4i h ALA 26 N 1.80 0.60 -0.48 6.62 0.00 -1.99 -1.00 119.26 124.82 3k4i h ALA 26 Ca 0.15 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 3k4i h ALA 26 Cb 0.20 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3k4i h ALA 26 CO -0.03 0.44 0.14 0.77 0.00 0.00 0.00 179.25 180.56 3k4i h SER 27 N 0.65 0.71 -0.53 0.00 0.02 -1.83 -0.70 113.55 111.87 3k4i h SER 27 Ca 0.12 -0.22 -0.12 0.00 -0.84 0.00 0.00 61.79 60.73 3k4i h SER 27 Cb 0.56 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 3k4i h SER 27 CO 0.03 0.74 -0.13 -0.07 -1.14 0.00 0.00 176.83 176.26 3k4i h LEU 28 N 0.64 1.03 -0.56 5.07 3.38 -1.39 -1.56 115.31 121.92 3k4i h LEU 28 Ca 0.15 -0.36 -0.06 0.00 0.09 0.00 0.00 57.88 57.70 3k4i h LEU 28 Cb 0.29 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3k4i h LEU 28 CO -0.00 1.15 0.12 -1.28 0.09 0.00 0.00 178.44 178.52 3k4i h SER 29 N 0.90 0.87 -0.55 -0.43 0.87 -1.02 0.23 113.55 114.42 3k4i h SER 29 Ca 0.14 -0.24 -0.04 0.00 -1.23 0.00 0.00 61.79 60.41 3k4i h SER 29 Cb 0.70 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.40 3k4i h SER 29 CO 0.05 0.89 0.21 0.44 -0.53 0.00 0.00 176.83 177.89 3k4i h ASP 30 N 0.81 0.81 -0.17 6.23 3.32 -0.99 0.19 116.42 126.62 3k4i h ASP 30 Ca 0.17 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 3k4i h ASP 30 Cb 0.37 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3k4i h ASP 30 CO 0.01 0.74 0.01 0.00 -1.72 0.00 0.00 179.24 178.28 3k4i h ALA 31 N 1.37 0.22 -0.48 3.45 0.00 -0.93 -2.40 119.26 120.50 3k4i h ALA 31 Ca 0.20 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.97 3k4i h ALA 31 Cb 0.21 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3k4i h ALA 31 CO -0.01 -0.09 0.24 -0.07 0.00 0.00 0.00 179.25 179.32 3k4i h LEU 32 N 0.05 0.35 -0.84 0.00 3.38 -0.61 -2.34 115.31 115.30 3k4i h LEU 32 Ca 0.05 0.02 0.16 0.00 0.09 0.00 0.00 57.88 58.20 3k4i h LEU 32 Cb 0.34 -0.04 -0.10 0.00 0.09 0.00 0.00 40.66 40.95 3k4i h LEU 32 CO 0.01 0.25 0.40 0.44 0.09 0.00 0.00 178.44 179.62 3k4i h ASP 33 N 0.48 0.44 0.29 -0.43 3.32 -0.85 0.11 116.42 119.79 3k4i h ASP 33 Ca 0.21 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.36 3k4i h ASP 33 Cb 0.11 0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3k4i h ASP 33 CO -0.14 0.16 0.00 0.77 -1.72 0.00 0.00 179.24 178.31 3k4i h SER 34 N 0.55 0.00 -0.26 6.45 4.64 -0.89 0.59 113.55 124.63 3k4i h SER 34 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 3k4i h SER 34 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 3k4i h SER 34 CO -0.40 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 175.74 3k4i n LEU 35 N -2.60 2.86 -0.46 5.97 4.77 -0.15 -4.97 117.00 122.42 3k4i n LEU 35 Ca -0.01 -1.47 -0.05 0.00 -0.03 0.00 0.00 56.01 54.45 3k4i n LEU 35 Cb 0.12 -0.16 -0.01 0.00 -2.33 0.00 0.00 43.42 41.04 3k4i n LEU 35 CO 0.17 0.62 -0.05 0.61 -1.33 0.00 0.00 177.39 177.41 3k4i n GLY 36 N 0.98 0.41 3.32 -0.72 0.00 0.20 -5.05 105.19 104.33 3k4i n GLY 36 Ca 0.13 -0.76 -0.32 0.00 0.00 0.00 0.00 46.02 45.07 3k4i n GLY 36 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k4i s ILE 37 N -2.21 2.61 -0.08 -0.61 1.01 -0.17 -4.97 121.20 116.78 3k4i s ILE 37 Ca 0.00 -0.84 -0.24 0.00 0.00 0.00 0.00 60.65 59.57 3k4i s ILE 37 Cb 0.00 -2.04 -0.03 0.00 0.01 0.00 0.00 42.46 40.40 3k4i s ILE 37 CO 0.00 0.55 0.74 -1.81 0.00 0.00 0.00 174.94 174.42 3k4i s ASP 38 N 0.13 7.02 -0.02 3.58 1.01 -1.26 -2.94 116.67 124.19 3k4i s ASP 38 Ca -0.09 1.23 0.12 0.00 0.71 0.00 0.00 52.55 54.52 3k4i s ASP 38 Cb -0.16 -2.43 -0.19 0.00 1.01 0.00 0.00 42.92 41.15 3k4i s ASP 38 CO 0.06 -0.17 0.29 0.61 0.21 0.00 0.00 175.17 176.16 3k4i n GLY 39 N 3.15 -0.55 3.78 0.21 0.00 -1.26 -4.94 105.19 105.57 3k4i n GLY 39 Ca 0.00 -0.30 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 3k4i n GLY 39 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k4i s GLY 40 N -3.36 2.84 -0.72 -0.02 0.00 -1.26 -1.24 107.32 103.56 3k4i s GLY 40 Ca -0.04 0.70 -0.11 0.00 0.00 0.00 0.00 44.72 45.26 3k4i s GLY 40 CO 0.52 1.17 0.63 1.08 0.00 0.00 0.00 173.10 176.50 3k4i s LEU 41 N -2.19 6.27 0.40 0.66 1.43 -0.23 -4.93 118.68 120.09 3k4i s LEU 41 Ca 0.52 -2.56 -0.26 0.00 -1.03 0.00 0.00 54.13 50.80 3k4i s LEU 41 Cb -0.23 -2.11 -0.09 0.00 0.03 0.00 0.00 46.19 43.78 3k4i s LEU 41 CO 0.30 -0.57 1.36 -2.16 0.23 0.00 0.00 176.35 175.51 3k4i s PRO 42 N 0.38 3.96 0.00 1.29 0.04 -1.26 -2.54 135.00 136.87 3k4i s PRO 42 Ca 0.15 2.28 0.00 0.00 0.04 0.00 0.00 61.00 63.47 3k4i s PRO 42 Cb -0.16 -2.80 0.00 0.00 0.04 0.00 0.00 34.50 31.58 3k4i s PRO 42 CO -0.06 -0.54 0.00 0.41 0.04 0.00 0.00 177.00 176.85 3k4i n GLY 43 N 0.63 1.81 3.36 0.56 0.00 -1.26 -4.94 105.19 105.36 3k4i n GLY 43 Ca 0.03 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.59 3k4i n GLY 43 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k4i s ILE 44 N -2.93 5.25 0.16 -0.61 -1.09 -1.05 -4.04 121.20 116.90 3k4i s ILE 44 Ca 0.00 -1.94 -0.06 0.00 -2.23 0.00 0.00 60.65 56.42 3k4i s ILE 44 Cb 0.00 -4.53 -0.06 0.00 -1.58 0.00 0.00 42.46 36.29 3k4i s ILE 44 CO 0.00 -1.13 0.42 0.00 -1.23 0.00 0.00 174.94 173.00 3k4i s ALA 45 N 1.26 3.73 0.19 9.38 0.00 -0.18 -4.13 121.76 132.02 3k4i s ALA 45 Ca 0.19 -0.48 -0.32 0.00 0.00 0.00 0.00 51.96 51.35 3k4i s ALA 45 Cb -0.13 -2.21 -0.12 0.00 0.00 0.00 0.00 23.12 20.66 3k4i s ALA 45 CO -0.05 0.63 1.74 0.45 0.00 0.00 0.00 175.76 178.52 3k4i n SER 46 N 0.07 3.94 -0.03 0.00 2.88 -1.26 -1.06 113.62 118.17 3k4i n SER 46 Ca -0.02 1.05 0.09 0.00 -1.33 0.00 0.00 58.87 58.65 3k4i n SER 46 Cb 0.52 -1.56 -0.10 0.00 -0.75 0.00 0.00 64.21 62.32 3k4i n SER 46 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3k4i n GLN 47 N 4.27 1.05 -3.93 -1.46 1.13 -0.22 -4.87 117.38 113.35 3k4i n GLN 47 Ca 0.17 -0.06 -0.30 0.00 -1.94 0.00 0.00 57.00 54.86 3k4i n GLN 47 Cb 0.35 -1.36 -0.15 0.00 0.11 0.00 0.00 30.24 29.19 3k4i n GLN 47 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3k4i s VAL 48 N -2.68 1.63 0.19 5.09 1.01 -1.25 -4.94 120.40 119.44 3k4i s VAL 48 Ca 0.07 -1.51 -0.33 0.00 0.00 0.00 0.00 61.98 60.21 3k4i s VAL 48 Cb 0.14 -1.99 -0.14 0.00 0.00 0.00 0.00 36.38 34.38 3k4i s VAL 48 CO 0.73 -0.29 1.48 -2.65 0.00 0.00 0.00 175.10 174.37 3k4i n PRO 49 N 4.59 2.01 -0.54 2.72 -0.02 -1.26 -2.27 135.00 140.23 3k4i n PRO 49 Ca -0.07 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3k4i n PRO 49 Cb 0.43 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 3k4i n PRO 49 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k4i n GLY 50 N 2.80 0.75 3.94 -1.23 0.00 -1.26 -5.05 105.19 105.14 3k4i n GLY 50 Ca 0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.91 3k4i n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3k4i s THR 51 N -2.49 5.27 0.08 2.61 -4.23 -0.96 -5.04 115.64 110.87 3k4i s THR 51 Ca 0.00 -0.61 -0.13 0.00 -1.18 0.00 0.00 61.69 59.77 3k4i s THR 51 Cb 0.00 -3.76 0.02 0.00 1.34 0.00 0.00 72.50 70.10 3k4i s THR 51 CO 0.00 -0.17 0.29 0.00 -0.54 0.00 0.00 174.62 174.21 3k4i s ARG 52 N -3.40 0.89 -0.02 3.99 1.70 -1.26 -3.90 118.95 116.94 3k4i s ARG 52 Ca 0.36 -0.70 -0.11 0.00 -0.47 0.00 0.00 55.73 54.81 3k4i s ARG 52 Cb -0.11 0.38 0.02 0.00 -0.57 0.00 0.00 34.95 34.67 3k4i s ARG 52 CO 0.29 -0.30 0.24 0.00 -1.08 0.00 0.00 175.30 174.45 3k4i s VAL 54 N -1.14 0.87 -0.36 0.00 1.01 -1.26 -0.84 120.40 118.68 3k4i s VAL 54 Ca -0.12 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.53 3k4i s VAL 54 Cb -0.06 -0.83 0.00 0.00 0.00 0.00 0.00 36.38 35.50 3k4i s VAL 54 CO 0.03 0.30 0.00 0.61 0.00 0.00 0.00 175.10 176.03 3k4i n GLY 55 N 3.89 -1.23 3.71 4.51 0.00 -1.26 -4.92 105.19 109.89 3k4i n GLY 55 Ca -0.24 -0.96 -0.37 0.00 0.00 0.00 0.00 46.02 44.45 3k4i n GLY 55 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k4i s ILE 56 N -2.34 5.27 0.09 -0.61 -1.09 -1.01 -4.46 121.20 117.05 3k4i s ILE 56 Ca 0.00 0.63 -0.31 0.00 -2.23 0.00 0.00 60.65 58.74 3k4i s ILE 56 Cb 0.00 -3.67 -0.09 0.00 -1.58 0.00 0.00 42.46 37.12 3k4i s ILE 56 CO 0.00 0.35 1.67 0.00 -1.23 0.00 0.00 174.94 175.73 3k4i s ALA 57 N 0.66 3.71 -0.21 9.38 0.00 0.40 -0.84 121.76 134.85 3k4i s ALA 57 Ca 0.18 1.26 -0.03 0.00 0.00 0.00 0.00 51.96 53.38 3k4i s ALA 57 Cb -0.14 -3.70 -0.00 0.00 0.00 0.00 0.00 23.12 19.29 3k4i s ALA 57 CO 0.05 -1.08 -0.08 0.12 0.00 0.00 0.00 175.76 174.77 3k4i s PHE 58 N 2.47 2.91 -0.00 0.00 5.36 -0.53 -1.20 117.98 126.99 3k4i s PHE 58 Ca 0.74 -1.09 -0.02 0.00 -0.96 0.00 0.00 56.93 55.61 3k4i s PHE 58 Cb -0.41 -2.05 -0.04 0.00 -0.34 0.00 0.00 43.02 40.18 3k4i s PHE 58 CO 0.33 -0.59 0.14 0.95 -1.46 0.00 0.00 175.22 174.59 3k4i s THR 59 N 1.39 5.16 -0.04 0.12 -4.23 -1.26 -0.79 115.64 116.00 3k4i s THR 59 Ca 0.05 -0.26 -0.01 0.00 -1.18 0.00 0.00 61.69 60.28 3k4i s THR 59 Cb -0.14 -3.40 0.03 0.00 1.34 0.00 0.00 72.50 70.33 3k4i s THR 59 CO -0.05 0.33 0.04 -0.69 -0.54 0.00 0.00 174.62 173.71 3k4i s VAL 60 N -1.28 -0.04 -0.18 2.29 1.01 -0.48 -0.65 120.40 121.06 3k4i s VAL 60 Ca 0.26 0.33 -0.04 0.00 0.00 0.00 0.00 61.98 62.54 3k4i s VAL 60 Cb -0.12 -0.17 -0.02 0.00 0.00 0.00 0.00 36.38 36.07 3k4i s VAL 60 CO 0.17 0.16 -0.04 -1.58 0.00 0.00 0.00 175.10 173.81 3k4i s GLN 61 N 1.81 3.53 0.29 2.72 2.00 -0.42 -0.05 119.66 129.54 3k4i s GLN 61 Ca 0.01 -0.57 0.07 0.00 -2.00 0.00 0.00 55.36 52.86 3k4i s GLN 61 Cb -0.12 -2.95 -0.03 0.00 0.80 0.00 0.00 33.01 30.71 3k4i s GLN 61 CO -0.03 0.05 0.29 0.71 -0.50 0.00 0.00 175.29 175.81 3k4i s TYR 62 N 0.86 3.10 0.01 1.67 2.02 -0.19 -0.66 117.35 124.16 3k4i s TYR 62 Ca -0.01 -0.17 -0.08 0.00 -0.37 0.00 0.00 57.07 56.44 3k4i s TYR 62 Cb -0.15 -1.64 0.00 0.00 -0.40 0.00 0.00 41.96 39.78 3k4i s TYR 62 CO 0.01 0.33 0.16 1.14 -1.57 0.00 0.00 175.55 175.62 3k4i s GLN 63 N -3.96 0.53 0.66 -0.62 -2.07 0.31 -4.79 119.66 109.71 3k4i s GLN 63 Ca 0.37 -0.42 -0.17 0.00 -1.82 0.00 0.00 55.36 53.32 3k4i s GLN 63 Cb -0.08 0.22 -0.01 0.00 -1.09 0.00 0.00 33.01 32.06 3k4i s GLN 63 CO 0.27 -0.13 1.18 -2.30 -1.32 0.00 0.00 175.29 172.98 3k4i n PRO 64 N 1.32 0.91 -2.08 9.60 -0.02 -1.26 -0.63 135.00 142.84 3k4i n PRO 64 Ca -0.22 0.37 -0.41 0.00 -2.02 0.00 0.00 63.50 61.22 3k4i n PRO 64 Cb 0.56 -2.41 -0.02 0.00 -0.02 0.00 0.00 33.50 31.61 3k4i n PRO 64 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3k4i s VAL 65 N -1.53 2.70 0.00 -1.45 -7.23 -1.16 -4.70 120.40 107.04 3k4i s VAL 65 Ca 0.80 0.67 0.00 0.00 -1.81 0.00 0.00 61.98 61.63 3k4i s VAL 65 Cb -0.38 -3.42 0.00 0.00 0.56 0.00 0.00 36.38 33.14 3k4i s VAL 65 CO 0.44 0.14 0.00 -0.46 -0.31 0.00 0.00 175.10 174.91 3k4i n ASN 76 N 1.32 0.17 0.26 4.85 2.04 -1.26 -5.04 115.26 117.61 3k4i n ASN 76 Ca 0.02 0.00 0.17 0.00 -0.44 0.00 0.00 54.58 54.33 3k4i n ASN 76 Cb 0.41 0.00 0.70 0.00 -2.53 0.00 0.00 39.78 38.37 3k4i n ASN 76 CO 0.00 0.00 0.00 0.10 -0.44 0.00 0.00 177.26 176.92 3k4i h TYR 77 N 0.00 0.00 0.00 -2.53 -0.00 -2.03 -3.33 116.97 109.07 3k4i h TYR 77 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.73 58.70 3k4i h TYR 77 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 36.73 36.73 3k4i h TYR 77 CO 0.00 0.00 -0.14 0.97 -0.00 0.00 0.00 178.16 178.99 3k4i h ILE 78 N 0.00 0.79 0.00 -0.90 2.10 -2.04 -1.21 117.51 116.25 3k4i h ILE 78 Ca 0.00 -0.55 -0.00 0.00 1.08 0.00 0.00 64.86 65.39 3k4i h ILE 78 Cb 0.44 1.33 -0.00 0.00 -1.09 0.00 0.00 36.82 37.50 3k4i h ILE 78 CO 0.00 0.14 -0.00 0.44 -1.08 0.00 0.00 178.15 177.65 3k4i h ASP 79 N 0.00 0.00 0.65 2.19 3.32 -2.03 -2.02 116.42 118.53 3k4i h ASP 79 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3k4i h ASP 79 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 3k4i h ASP 79 CO 0.02 0.00 -0.62 0.00 -1.72 0.00 0.00 179.24 176.92 3k4i n GLN 80 N -3.15 0.17 -2.49 3.56 6.02 -0.45 -4.94 117.38 116.09 3k4i n GLN 80 Ca -0.03 0.04 -0.43 0.00 -0.01 0.00 0.00 57.00 56.57 3k4i n GLN 80 Cb 0.07 -1.59 -0.02 0.00 1.02 0.00 0.00 30.24 29.72 3k4i n GLN 80 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3k4i s VAL 81 N -3.10 4.40 0.56 5.09 1.01 -0.76 -4.99 120.40 122.61 3k4i s VAL 81 Ca 0.08 1.69 -0.21 0.00 0.00 0.00 0.00 61.98 63.54 3k4i s VAL 81 Cb 0.15 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 3k4i s VAL 81 CO 0.72 -0.14 1.29 -2.84 0.00 0.00 0.00 175.10 174.13 3k4i s PRO 82 N 3.34 3.06 0.33 2.72 0.02 -1.26 -4.97 135.00 138.25 3k4i s PRO 82 Ca 0.52 2.06 -0.27 0.00 0.02 0.00 0.00 61.00 63.33 3k4i s PRO 82 Cb -0.20 -2.13 -0.13 0.00 0.02 0.00 0.00 34.50 32.07 3k4i s PRO 82 CO 0.13 -1.20 1.11 0.45 -0.33 0.00 0.00 177.00 177.16 3k4i n SER 83 N -1.25 1.81 0.00 2.53 2.88 -1.26 -2.40 113.62 115.93 3k4i n SER 83 Ca 0.12 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.82 3k4i n SER 83 Cb 0.47 -1.37 0.00 0.00 -0.75 0.00 0.00 64.21 62.56 3k4i n SER 83 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3k4i n GLY 84 N 1.05 0.79 3.82 0.46 0.00 0.29 -4.99 105.19 106.61 3k4i n GLY 84 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 3k4i n GLY 84 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k4i s SER 85 N -2.75 6.75 -0.25 1.61 0.01 -1.01 -2.42 113.70 115.64 3k4i s SER 85 Ca 0.00 1.69 -0.04 0.00 1.31 0.00 0.00 55.95 58.91 3k4i s SER 85 Cb 0.00 -2.53 0.01 0.00 0.21 0.00 0.00 66.02 63.71 3k4i s SER 85 CO 0.00 -0.50 -0.01 -0.69 0.41 0.00 0.00 173.24 172.45 3k4i s VAL 86 N -2.29 3.37 0.01 3.43 1.01 -0.02 -0.68 120.40 125.22 3k4i s VAL 86 Ca 0.62 -0.75 -0.30 0.00 0.00 0.00 0.00 61.98 61.55 3k4i s VAL 86 Cb -0.10 -2.66 -0.05 0.00 0.00 0.00 0.00 36.38 33.57 3k4i s VAL 86 CO 0.20 0.24 1.30 -0.63 0.00 0.00 0.00 175.10 176.20 3k4i s ILE 87 N 1.43 3.90 -0.23 2.22 1.01 -0.58 -1.45 121.20 127.49 3k4i s ILE 87 Ca 0.03 1.30 0.00 0.00 0.00 0.00 0.00 60.65 61.98 3k4i s ILE 87 Cb -0.16 -3.83 0.03 0.00 0.01 0.00 0.00 42.46 38.51 3k4i s ILE 87 CO -0.02 0.03 -0.12 -0.69 0.00 0.00 0.00 174.94 174.14 3k4i s VAL 88 N 1.97 2.45 -0.14 2.92 1.01 0.03 -0.15 120.40 128.49 3k4i s VAL 88 Ca 0.60 -1.15 0.01 0.00 0.00 0.00 0.00 61.98 61.44 3k4i s VAL 88 Cb -0.29 -2.23 0.00 0.00 0.00 0.00 0.00 36.38 33.86 3k4i s VAL 88 CO 0.26 0.24 -0.18 -0.44 0.00 0.00 0.00 175.10 174.99 3k4i s SER 89 N 1.26 3.49 -0.25 3.32 0.01 0.35 -1.38 113.70 120.50 3k4i s SER 89 Ca -0.01 -0.50 -0.10 0.00 1.31 0.00 0.00 55.95 56.65 3k4i s SER 89 Cb -0.16 -1.52 -0.05 0.00 0.21 0.00 0.00 66.02 64.50 3k4i s SER 89 CO -0.07 0.10 0.14 -0.55 0.41 0.00 0.00 173.24 173.27 3k4i s SER 90 N 0.74 5.89 -0.27 2.44 0.15 0.92 -1.11 113.70 122.47 3k4i s SER 90 Ca -0.07 0.03 0.12 0.00 0.70 0.00 0.00 55.95 56.73 3k4i s SER 90 Cb -0.16 -2.07 0.47 0.00 -1.71 0.00 0.00 66.02 62.56 3k4i s SER 90 CO 0.01 0.03 1.17 -3.20 1.20 0.00 0.00 173.24 172.45 3k4i n ASN 91 N 4.50 3.75 -2.25 5.45 5.15 -0.35 -1.02 115.26 130.48 3k4i n ASN 91 Ca -0.15 -3.22 -0.12 0.00 -0.60 0.00 0.00 54.58 50.49 3k4i n ASN 91 Cb 0.52 -0.39 -0.01 0.00 -0.53 0.00 0.00 39.78 39.37 3k4i n ASN 91 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 3k4i n SER 92 N -0.67 -3.72 -1.20 1.20 7.64 -1.21 -1.70 113.62 113.95 3k4i n SER 92 Ca 0.31 0.22 -0.15 0.00 1.01 0.00 0.00 58.87 60.26 3k4i n SER 92 Cb 0.91 -3.23 -0.06 0.00 -1.01 0.00 0.00 64.21 60.82 3k4i n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k4i n GLY 93 N -0.70 1.50 3.77 0.23 0.00 -0.62 -4.96 105.19 104.41 3k4i n GLY 93 Ca -0.14 -0.29 -0.39 0.00 0.00 0.00 0.00 46.02 45.21 3k4i n GLY 93 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k4i s ARG 94 N -3.36 3.80 0.00 1.61 0.52 -0.69 -4.67 118.95 116.17 3k4i s ARG 94 Ca 0.00 2.05 0.11 0.00 -0.52 0.00 0.00 55.73 57.37 3k4i s ARG 94 Cb 0.00 -2.59 0.07 0.00 0.52 0.00 0.00 34.95 32.95 3k4i s ARG 94 CO 0.00 -0.60 0.81 0.72 0.02 0.00 0.00 175.30 176.26 3k4i n HIS 95 N -0.20 0.00 1.22 -0.53 8.25 -1.26 -3.56 115.22 119.13 3k4i n HIS 95 Ca 0.06 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.64 3k4i n HIS 95 Cb 0.45 0.00 0.28 0.00 1.12 0.00 0.00 29.99 31.84 3k4i n HIS 95 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 3k4i n ASP 96 N 0.46 1.86 -3.47 0.41 5.75 -1.26 -4.95 116.55 115.35 3k4i n ASP 96 Ca 0.06 -1.48 -0.11 0.00 -0.01 0.00 0.00 54.79 53.25 3k4i n ASP 96 Cb 0.27 0.13 -0.02 0.00 -1.03 0.00 0.00 41.12 40.47 3k4i n ASP 96 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3k4i s THR 98 N -3.72 2.55 -0.11 0.00 -4.23 -0.16 -4.29 115.64 105.68 3k4i s THR 98 Ca 0.02 -1.87 0.15 0.00 -1.18 0.00 0.00 61.69 58.81 3k4i s THR 98 Cb -0.01 -2.22 0.33 0.00 1.34 0.00 0.00 72.50 71.94 3k4i s THR 98 CO -0.11 -0.07 1.16 1.33 -0.54 0.00 0.00 174.62 176.39 3k4i n VAL 99 N 0.36 1.25 -3.64 2.29 0.24 -1.07 -2.83 118.33 114.93 3k4i n VAL 99 Ca -0.13 -1.97 -0.09 0.00 -2.04 0.00 0.00 64.34 60.11 3k4i n VAL 99 Cb 0.55 0.18 -0.07 0.00 -1.47 0.00 0.00 33.84 33.03 3k4i n VAL 99 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 3k4i s TRP 100 N -1.86 -0.98 0.00 6.34 -0.11 -1.26 -5.05 118.94 116.03 3k4i s TRP 100 Ca 0.30 2.05 0.00 0.00 1.22 0.00 0.00 56.10 59.67 3k4i s TRP 100 Cb 0.30 0.53 0.00 0.00 -1.50 0.00 0.00 33.47 32.79 3k4i s TRP 100 CO -0.06 -0.48 0.00 0.41 -4.62 0.00 0.00 176.95 172.20 3k4i n GLY 101 N 3.82 4.32 0.14 5.86 0.00 -1.26 -0.82 105.19 117.25 3k4i n GLY 101 Ca -0.18 -1.09 -0.09 0.00 0.00 0.00 0.00 46.02 44.65 3k4i n GLY 101 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3k4i h ASP 102 N 0.00 0.30 0.00 1.61 3.04 -1.84 -1.28 116.42 118.25 3k4i h ASP 102 Ca 0.00 -0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 3k4i h ASP 102 Cb 0.00 -0.07 0.00 0.00 -1.04 0.00 0.00 39.33 38.22 3k4i h ASP 102 CO 0.00 0.22 0.00 -0.38 -2.04 0.00 0.00 179.24 177.04 3k4i n ILE 103 N -4.91 0.00 0.00 4.15 5.41 -1.26 -1.21 119.36 121.54 3k4i n ILE 103 Ca -0.02 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.73 3k4i n ILE 103 Cb 0.03 -0.04 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 3k4i n ILE 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 3k4i n THR 105 N 0.51 0.00 -0.32 1.39 -1.04 -0.48 -1.11 114.28 113.23 3k4i n THR 105 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.99 3k4i n THR 105 Cb 0.00 0.00 0.13 0.00 -1.82 0.00 0.00 70.33 68.64 3k4i n THR 105 CO 0.00 0.00 0.00 0.45 -0.64 0.00 0.00 175.07 174.88 3k4i h HIS 106 N 0.00 1.18 -0.28 -1.42 -0.00 -1.43 -1.53 115.15 111.66 3k4i h HIS 106 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3k4i h HIS 106 Cb 0.00 -0.39 -0.01 0.00 -0.00 0.00 0.00 27.41 27.01 3k4i h HIS 106 CO 0.00 0.78 0.15 0.35 -0.00 0.00 0.00 177.93 179.21 3k4i h PHE 107 N 1.23 0.38 -0.50 2.45 3.57 -1.36 -2.52 116.94 120.19 3k4i h PHE 107 Ca 0.32 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.85 3k4i h PHE 107 Cb -0.06 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.52 3k4i h PHE 107 CO 0.00 0.31 0.26 0.00 -2.23 0.00 0.00 178.31 176.66 3k4i h ALA 108 N 1.03 0.64 -0.02 2.41 0.00 -1.71 -1.97 119.26 119.63 3k4i h ALA 108 Ca 0.10 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3k4i h ALA 108 Cb 0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3k4i h ALA 108 CO -0.02 -0.07 -0.27 -0.07 0.00 0.00 0.00 179.25 178.83 3k4i h LEU 109 N 0.52 0.04 -0.09 0.00 3.38 -1.20 -1.89 115.31 116.06 3k4i h LEU 109 Ca 0.21 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3k4i h LEU 109 Cb 0.10 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3k4i h LEU 109 CO -0.14 0.31 -0.29 0.00 0.09 0.00 0.00 178.44 178.41 3k4i n ALA 110 N -2.49 3.07 -1.54 1.53 0.00 -0.89 -4.28 120.51 115.91 3k4i n ALA 110 Ca -0.02 -0.28 0.06 0.00 0.00 0.00 0.00 53.44 53.20 3k4i n ALA 110 Cb 0.33 -1.24 0.11 0.00 0.00 0.00 0.00 19.45 18.65 3k4i n ALA 110 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3k4i n ASN 111 N -1.31 1.57 -1.22 0.00 3.02 -0.79 -5.01 115.26 111.52 3k4i n ASN 111 Ca 0.08 -2.94 -0.14 0.00 -0.03 0.00 0.00 54.58 51.55 3k4i n ASN 111 Cb 0.33 -0.39 -0.05 0.00 -0.61 0.00 0.00 39.78 39.06 3k4i n ASN 111 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k4i n GLY 112 N -0.86 1.07 3.71 7.41 0.00 -1.09 -4.19 105.19 111.25 3k4i n GLY 112 Ca 0.12 -0.34 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 3k4i n GLY 112 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k4i s ILE 113 N -2.57 5.04 -0.16 -0.61 1.01 -0.75 -0.55 121.20 122.61 3k4i s ILE 113 Ca 0.00 1.45 0.18 0.00 0.00 0.00 0.00 60.65 62.29 3k4i s ILE 113 Cb 0.00 -4.04 -0.08 0.00 0.01 0.00 0.00 42.46 38.35 3k4i s ILE 113 CO 0.00 0.25 0.93 0.11 0.00 0.00 0.00 174.94 176.22 3k4i h LYS 114 N 6.78 0.00 0.00 2.79 1.57 -1.20 -3.41 116.57 123.10 3k4i h LYS 114 Ca -0.41 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.37 3k4i h LYS 114 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 3k4i h LYS 114 CO 0.75 0.21 0.00 0.41 -0.57 0.00 0.00 179.45 180.25 3k4i n GLY 115 N 1.32 0.46 2.96 3.86 0.00 -1.25 -4.42 105.19 108.12 3k4i n GLY 115 Ca -0.06 -0.91 -0.17 0.00 0.00 0.00 0.00 46.02 44.88 3k4i n GLY 115 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k4i s THR 116 N -2.00 0.50 -0.13 2.61 2.01 -0.31 -1.53 115.64 116.79 3k4i s THR 116 Ca 0.00 -0.24 0.02 0.00 0.31 0.00 0.00 61.69 61.78 3k4i s THR 116 Cb 0.00 -0.44 0.02 0.00 0.01 0.00 0.00 72.50 72.08 3k4i s THR 116 CO 0.00 0.16 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.23 3k4i s VAL 117 N 0.06 1.64 -0.11 3.82 1.01 0.79 -0.92 120.40 126.68 3k4i s VAL 117 Ca -0.00 -0.71 0.01 0.00 0.00 0.00 0.00 61.98 61.28 3k4i s VAL 117 Cb -0.05 -1.49 0.02 0.00 0.00 0.00 0.00 36.38 34.86 3k4i s VAL 117 CO -0.00 0.47 -0.14 -0.63 0.00 0.00 0.00 175.10 174.79 3k4i s ILE 118 N 1.07 1.46 -1.22 2.22 1.01 0.43 -0.49 121.20 125.67 3k4i s ILE 118 Ca -0.04 -0.61 -0.17 0.00 0.00 0.00 0.00 60.65 59.84 3k4i s ILE 118 Cb -0.14 -1.34 0.11 0.00 0.01 0.00 0.00 42.46 41.10 3k4i s ILE 118 CO -0.04 0.43 1.56 -0.62 0.00 0.00 0.00 174.94 176.27 3k4i s ASP 119 N 1.07 6.90 0.00 3.58 2.15 -0.26 -3.64 116.67 126.46 3k4i s ASP 119 Ca -0.05 -2.58 0.00 0.00 0.43 0.00 0.00 52.55 50.35 3k4i s ASP 119 Cb -0.15 -2.50 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 3k4i s ASP 119 CO -0.03 -1.01 0.00 0.61 -0.17 0.00 0.00 175.17 174.57 3k4i n GLY 120 N 4.98 0.19 3.46 2.66 0.00 -1.26 -1.21 105.19 114.00 3k4i n GLY 120 Ca 0.41 -1.45 -0.23 0.00 0.00 0.00 0.00 46.02 44.76 3k4i n GLY 120 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3k4i s VAL 121 N -3.07 1.96 0.23 1.61 -7.23 -1.23 -0.82 120.40 111.84 3k4i s VAL 121 Ca 0.00 -2.20 0.10 0.00 -1.81 0.00 0.00 61.98 58.06 3k4i s VAL 121 Cb 0.00 -2.43 -0.05 0.00 0.56 0.00 0.00 36.38 34.47 3k4i s VAL 121 CO 0.00 -0.33 -0.18 0.00 -0.31 0.00 0.00 175.10 174.29 3k4i s ALA 122 N -2.81 2.31 0.45 1.32 0.00 -1.02 -2.61 121.76 119.39 3k4i s ALA 122 Ca 0.29 -1.71 0.01 0.00 0.00 0.00 0.00 51.96 50.56 3k4i s ALA 122 Cb 0.01 -0.18 0.01 0.00 0.00 0.00 0.00 23.12 22.97 3k4i s ALA 122 CO 0.13 0.19 0.12 2.89 0.00 0.00 0.00 175.76 179.08 3k4i n ARG 123 N -0.33 0.90 -3.86 0.00 1.85 -0.00 -1.36 116.66 113.86 3k4i n ARG 123 Ca -0.08 -3.09 -0.26 0.00 -1.00 0.00 0.00 57.85 53.42 3k4i n ARG 123 Cb 0.59 0.67 0.02 0.00 -1.05 0.00 0.00 32.46 32.69 3k4i n ARG 123 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3k4i n ASP 124 N -1.46 -2.39 -0.32 2.89 8.00 -1.26 -4.35 116.55 117.66 3k4i n ASP 124 Ca -0.13 -0.85 0.00 0.00 0.71 0.00 0.00 54.79 54.52 3k4i n ASP 124 Cb 0.55 -3.73 0.18 0.00 -0.02 0.00 0.00 41.12 38.10 3k4i n ASP 124 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3k4i h ILE 125 N -1.91 1.20 -0.85 0.53 1.08 -1.90 -1.50 117.51 114.15 3k4i h ILE 125 Ca -0.60 -0.41 0.03 0.00 -0.39 0.00 0.00 64.86 63.48 3k4i h ILE 125 Cb 1.37 -0.11 -0.05 0.00 -3.07 0.00 0.00 36.82 34.97 3k4i h ILE 125 CO 0.63 0.22 0.56 0.44 -0.69 0.00 0.00 178.15 179.31 3k4i h ASP 126 N 1.20 0.94 -0.19 1.72 3.32 -2.00 -0.59 116.42 120.82 3k4i h ASP 126 Ca 0.35 -0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.32 3k4i h ASP 126 Cb -0.06 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.26 3k4i h ASP 126 CO -0.09 0.66 -0.15 0.74 -1.72 0.00 0.00 179.24 178.68 3k4i h THR 127 N 1.09 1.32 -0.48 0.35 2.02 -1.68 -1.42 112.91 114.12 3k4i h THR 127 Ca 0.33 -1.27 0.02 0.00 0.77 0.00 0.00 66.41 66.26 3k4i h THR 127 Cb -0.03 1.73 -0.03 0.00 -1.74 0.00 0.00 68.15 68.08 3k4i h THR 127 CO -0.09 0.38 0.28 0.58 0.37 0.00 0.00 175.52 177.05 3k4i h VAL 128 N 0.11 1.04 -0.13 3.16 2.07 -1.01 0.65 116.25 122.14 3k4i h VAL 128 Ca 0.04 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.36 3k4i h VAL 128 Cb 0.67 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 3k4i h VAL 128 CO 0.04 0.10 0.08 0.40 0.02 0.00 0.00 177.57 178.21 3k4i h ILE 129 N 0.57 1.08 -0.60 4.57 2.04 -1.09 -1.60 117.51 122.48 3k4i h ILE 129 Ca 0.20 -0.21 0.05 0.00 1.00 0.00 0.00 64.86 65.90 3k4i h ILE 129 Cb 0.02 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 3k4i h ILE 129 CO -0.09 0.07 0.40 0.78 0.00 0.00 0.00 178.15 179.30 3k4i h ASN 130 N 0.13 0.53 0.50 1.72 2.35 -0.65 -1.38 115.58 118.78 3k4i h ASN 130 Ca 0.05 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3k4i h ASN 130 Cb 0.05 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.30 3k4i h ASN 130 CO -0.01 0.35 -0.13 0.00 -1.65 0.00 0.00 177.43 175.99 3k4i n ASN 132 N -1.14 -3.57 -4.70 0.00 4.13 -0.52 -4.95 115.26 104.51 3k4i n ASN 132 Ca 0.12 -0.83 -0.39 0.00 1.68 0.00 0.00 54.58 55.16 3k4i n ASN 132 Cb 0.29 -3.72 -0.06 0.00 -1.54 0.00 0.00 39.78 34.76 3k4i n ASN 132 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 3k4i s TYR 133 N -3.43 3.49 -0.79 3.10 5.04 -0.67 -4.99 117.35 119.12 3k4i s TYR 133 Ca 0.49 0.97 -0.25 0.00 -2.44 0.00 0.00 57.07 55.84 3k4i s TYR 133 Cb -0.25 -2.67 -0.04 0.00 0.35 0.00 0.00 41.96 39.35 3k4i s TYR 133 CO 0.84 0.06 1.95 -2.14 -1.34 0.00 0.00 175.55 174.93 3k4i s PRO 134 N 0.98 2.52 -0.12 4.97 0.02 -1.26 -4.78 135.00 137.33 3k4i s PRO 134 Ca 0.29 0.10 -0.01 0.00 0.02 0.00 0.00 61.00 61.40 3k4i s PRO 134 Cb -0.16 -4.81 -0.02 0.00 0.02 0.00 0.00 34.50 29.53 3k4i s PRO 134 CO 0.12 -3.21 -0.09 -1.17 -0.33 0.00 0.00 177.00 172.32 3k4i s LEU 135 N 10.04 3.00 -0.06 -5.54 2.96 -1.26 -1.17 118.68 126.66 3k4i s LEU 135 Ca 0.71 -0.19 0.01 0.00 -0.22 0.00 0.00 54.13 54.45 3k4i s LEU 135 Cb -0.09 -1.69 0.02 0.00 0.50 0.00 0.00 46.19 44.93 3k4i s LEU 135 CO 0.08 0.22 -0.08 -0.36 -1.32 0.00 0.00 176.35 174.88 3k4i s PHE 136 N 0.07 1.10 0.29 5.38 0.08 -0.10 -1.05 117.98 123.74 3k4i s PHE 136 Ca -0.03 -0.38 -0.20 0.00 0.12 0.00 0.00 56.93 56.45 3k4i s PHE 136 Cb -0.14 -0.87 0.02 0.00 -0.57 0.00 0.00 43.02 41.46 3k4i s PHE 136 CO 0.04 -0.25 0.71 -1.54 -0.10 0.00 0.00 175.22 174.08 3k4i s SER 137 N 0.86 -0.21 0.00 1.36 1.04 -0.22 -0.43 113.70 116.10 3k4i s SER 137 Ca -0.12 -0.70 0.25 0.00 0.48 0.00 0.00 55.95 55.86 3k4i s SER 137 Cb -0.15 0.73 1.33 0.00 0.10 0.00 0.00 66.02 68.04 3k4i s SER 137 CO 0.01 -1.38 1.83 0.54 0.98 0.00 0.00 173.24 175.22 3k4i n ARG 138 N -0.46 0.52 -2.62 4.02 1.74 0.00 -1.01 116.66 118.86 3k4i n ARG 138 Ca -0.04 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 3k4i n ARG 138 Cb 0.59 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.53 3k4i n ARG 138 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k4i n GLY 139 N 0.69 -0.16 3.07 -0.13 0.00 -1.26 -4.95 105.19 102.45 3k4i n GLY 139 Ca 0.14 -1.41 -0.23 0.00 0.00 0.00 0.00 46.02 44.52 3k4i n GLY 139 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k4i s ARG 140 N -2.00 1.42 0.00 1.61 0.52 -1.26 -2.42 118.95 116.81 3k4i s ARG 140 Ca 0.00 -0.46 0.00 0.00 -0.52 0.00 0.00 55.73 54.75 3k4i s ARG 140 Cb 0.00 -1.26 0.00 0.00 0.52 0.00 0.00 34.95 34.21 3k4i s ARG 140 CO 0.00 0.17 0.00 0.34 0.02 0.00 0.00 175.30 175.83 3k4i n PHE 141 N 3.27 0.00 -0.94 -0.53 -0.00 -0.46 -4.93 117.46 113.86 3k4i n PHE 141 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.26 3k4i n PHE 141 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.01 3k4i n PHE 141 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 3k4i n GLN 143 N 0.00 0.00 -2.10 -4.13 6.02 -1.26 -3.60 117.38 112.31 3k4i n GLN 143 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.66 3k4i n GLN 143 Cb 0.00 -0.38 0.01 0.00 1.02 0.00 0.00 30.24 30.89 3k4i n GLN 143 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3k4i s SER 144 N -1.56 5.70 0.56 1.08 0.15 -1.26 -0.98 113.70 117.38 3k4i s SER 144 Ca 0.00 1.94 0.25 0.00 0.70 0.00 0.00 55.95 58.84 3k4i s SER 144 Cb 0.00 -2.55 1.62 0.00 -1.71 0.00 0.00 66.02 63.38 3k4i s SER 144 CO 0.00 -1.23 2.21 0.00 1.20 0.00 0.00 173.24 175.43 3k4i h ALA 145 N 0.66 1.67 -2.60 5.45 0.00 -1.84 -3.41 119.26 119.18 3k4i h ALA 145 Ca -0.48 -0.01 -0.52 0.00 0.00 0.00 0.00 54.91 53.90 3k4i h ALA 145 Cb 1.23 -0.00 0.05 0.00 0.00 0.00 0.00 17.79 19.07 3k4i h ALA 145 CO 0.57 0.01 1.04 0.15 0.00 0.00 0.00 179.25 181.02 3k4i s LYS 146 N -4.76 4.13 -2.11 0.00 -0.14 -1.26 -0.25 119.74 115.35 3k4i s LYS 146 Ca -0.05 2.60 0.00 0.00 -1.36 0.00 0.00 55.97 57.16 3k4i s LYS 146 Cb 0.16 -3.26 0.00 0.00 -1.68 0.00 0.00 37.83 33.04 3k4i s LYS 146 CO 0.59 -0.78 0.00 0.09 -0.76 0.00 0.00 175.35 174.49 3k4i n ASN 147 N 4.60 -5.26 0.00 2.83 5.03 -1.26 -4.75 115.26 116.45 3k4i n ASN 147 Ca 0.16 0.48 0.00 0.00 0.87 0.00 0.00 54.58 56.10 3k4i n ASN 147 Cb 0.36 -4.66 0.00 0.00 -1.02 0.00 0.00 39.78 34.47 3k4i n ASN 147 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3k4i n ARG 148 N -2.33 0.00 -3.96 3.52 1.74 0.65 -4.89 116.66 111.39 3k4i n ARG 148 Ca -0.20 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.78 3k4i n ARG 148 Cb 0.66 -0.48 -0.11 0.00 -1.02 0.00 0.00 32.46 31.50 3k4i n ARG 148 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 3k4i s THR 149 N -1.90 0.10 0.06 0.55 -1.32 0.48 -2.99 115.64 110.60 3k4i s THR 149 Ca 0.00 -0.81 0.05 0.00 -1.21 0.00 0.00 61.69 59.72 3k4i s THR 149 Cb 0.00 -0.27 -0.03 0.00 -1.51 0.00 0.00 72.50 70.70 3k4i s THR 149 CO 0.00 -0.44 -0.15 0.00 -2.21 0.00 0.00 174.62 171.82 3k4i s GLN 150 N -1.34 0.93 0.20 7.08 -2.07 0.20 -4.46 119.66 120.19 3k4i s GLN 150 Ca -0.15 -0.87 -0.32 0.00 -1.82 0.00 0.00 55.36 52.20 3k4i s GLN 150 Cb -0.09 -0.96 -0.11 0.00 -1.09 0.00 0.00 33.01 30.76 3k4i s GLN 150 CO -0.01 0.23 1.69 -1.17 -1.32 0.00 0.00 175.29 174.71 3k4i s LEU 151 N -1.43 4.37 -0.24 2.60 0.20 -1.26 -0.53 118.68 122.39 3k4i s LEU 151 Ca 0.01 2.80 -0.12 0.00 0.69 0.00 0.00 54.13 57.51 3k4i s LEU 151 Cb -0.09 -3.60 -0.10 0.00 -0.43 0.00 0.00 46.19 41.97 3k4i s LEU 151 CO 0.02 -0.94 -0.31 1.17 -0.29 0.00 0.00 176.35 176.00 3k4i n LYS 152 N 4.02 0.50 -3.61 1.98 4.81 0.17 -4.84 118.16 121.19 3k4i n LYS 152 Ca 0.15 0.22 -0.12 0.00 -0.87 0.00 0.00 58.31 57.70 3k4i n LYS 152 Cb 0.36 -1.35 -0.05 0.00 0.02 0.00 0.00 35.03 34.02 3k4i n LYS 152 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3k4i s ALA 153 N -2.45 -1.10 0.20 3.14 0.00 -1.16 -5.04 121.76 115.36 3k4i s ALA 153 Ca -0.33 0.24 0.10 0.00 0.00 0.00 0.00 51.96 51.97 3k4i s ALA 153 Cb 0.12 0.55 -0.04 0.00 0.00 0.00 0.00 23.12 23.75 3k4i s ALA 153 CO 0.42 -0.58 -0.21 0.14 0.00 0.00 0.00 175.76 175.53 3k4i s VAL 154 N -3.16 2.17 -1.28 0.00 -7.23 -1.26 -1.30 120.40 108.34 3k4i s VAL 154 Ca -0.01 -2.09 -0.04 0.00 -1.81 0.00 0.00 61.98 58.03 3k4i s VAL 154 Cb 0.00 -2.07 0.01 0.00 0.56 0.00 0.00 36.38 34.88 3k4i s VAL 154 CO -0.07 -0.27 1.04 0.00 -0.31 0.00 0.00 175.10 175.48 3k4i n GLN 155 N 0.04 -6.91 -4.42 4.82 1.13 0.18 -4.98 117.38 107.24 3k4i n GLN 155 Ca -0.11 0.81 -0.22 0.00 -1.94 0.00 0.00 57.00 55.54 3k4i n GLN 155 Cb 0.57 -5.80 -0.10 0.00 0.11 0.00 0.00 30.24 25.02 3k4i n GLN 155 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 3k4i s VAL 156 N -3.37 2.19 0.34 5.09 -7.23 -1.26 -4.87 120.40 111.29 3k4i s VAL 156 Ca 0.23 -2.27 -0.28 0.00 -1.81 0.00 0.00 61.98 57.86 3k4i s VAL 156 Cb -0.10 -2.16 -0.09 0.00 0.56 0.00 0.00 36.38 34.58 3k4i s VAL 156 CO 0.74 -0.42 1.19 -2.84 -0.31 0.00 0.00 175.10 173.46 3k4i s PRO 157 N -3.39 4.33 0.13 4.82 0.02 -1.26 -4.48 135.00 135.17 3k4i s PRO 157 Ca 0.25 1.94 0.06 0.00 0.02 0.00 0.00 61.00 63.28 3k4i s PRO 157 Cb -0.04 -2.95 -0.04 0.00 0.02 0.00 0.00 34.50 31.49 3k4i s PRO 157 CO 0.11 -0.11 0.01 -0.51 -0.33 0.00 0.00 177.00 176.16 3k4i s LEU 158 N -1.96 3.41 -0.19 -5.54 1.43 0.48 -4.95 118.68 111.35 3k4i s LEU 158 Ca 0.51 -0.28 -0.01 0.00 -1.03 0.00 0.00 54.13 53.33 3k4i s LEU 158 Cb -0.34 -2.10 0.01 0.00 0.03 0.00 0.00 46.19 43.79 3k4i s LEU 158 CO 0.44 0.13 -0.15 -0.69 0.23 0.00 0.00 176.35 176.31 3k4i s VAL 159 N -1.51 2.53 -0.13 -1.59 1.01 -1.26 0.13 120.40 119.57 3k4i s VAL 159 Ca 0.27 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.46 3k4i s VAL 159 Cb -0.11 -2.09 0.02 0.00 0.00 0.00 0.00 36.38 34.20 3k4i s VAL 159 CO 0.19 0.50 -0.13 -0.63 0.00 0.00 0.00 175.10 175.03 3k4i s ILE 160 N 1.29 1.43 -1.58 2.22 1.01 0.08 -4.77 121.20 120.88 3k4i s ILE 160 Ca 0.04 -0.56 -0.12 0.00 0.00 0.00 0.00 60.65 60.01 3k4i s ILE 160 Cb -0.14 -1.36 0.10 0.00 0.01 0.00 0.00 42.46 41.07 3k4i s ILE 160 CO -0.08 0.43 0.70 0.47 0.00 0.00 0.00 174.94 176.46 3k4i n ASP 161 N 4.70 -2.58 0.00 3.58 10.43 -1.26 -0.66 116.55 130.76 3k4i n ASP 161 Ca -0.16 -0.97 0.00 0.00 2.57 0.00 0.00 54.79 56.22 3k4i n ASP 161 Cb 0.50 -3.05 0.00 0.00 1.84 0.00 0.00 41.12 40.42 3k4i n ASP 161 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3k4i n GLY 162 N -1.64 2.55 3.68 0.44 0.00 -1.26 -4.96 105.19 103.99 3k4i n GLY 162 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 3k4i n GLY 162 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k4i s ILE 163 N -1.40 4.64 0.22 -0.61 -1.09 0.16 -5.04 121.20 118.08 3k4i s ILE 163 Ca 0.00 1.93 -0.27 0.00 -2.23 0.00 0.00 60.65 60.08 3k4i s ILE 163 Cb 0.00 -4.24 -0.09 0.00 -1.58 0.00 0.00 42.46 36.55 3k4i s ILE 163 CO 0.00 -0.04 0.87 -0.89 -1.23 0.00 0.00 174.94 173.64 3k4i s THR 164 N 2.39 4.23 -0.16 2.92 2.01 -1.26 -0.74 115.64 125.03 3k4i s THR 164 Ca 0.49 1.86 0.00 0.00 0.31 0.00 0.00 61.69 64.35 3k4i s THR 164 Cb -0.19 -4.18 0.03 0.00 0.01 0.00 0.00 72.50 68.17 3k4i s THR 164 CO 0.16 0.44 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.79 3k4i s ILE 165 N -1.26 1.47 0.03 1.82 1.09 0.12 -4.97 121.20 119.50 3k4i s ILE 165 Ca 0.41 -0.71 -0.08 0.00 -1.10 0.00 0.00 60.65 59.17 3k4i s ILE 165 Cb -0.23 -1.47 -0.05 0.00 -1.06 0.00 0.00 42.46 39.64 3k4i s ILE 165 CO 0.28 0.31 0.32 -1.10 -0.10 0.00 0.00 174.94 174.65 3k4i s GLN 166 N 1.51 3.66 0.19 2.79 -1.52 -1.26 -0.39 119.66 124.63 3k4i s GLN 166 Ca 0.02 0.03 -0.33 0.00 -1.95 0.00 0.00 55.36 53.14 3k4i s GLN 166 Cb -0.14 -3.06 -0.14 0.00 -0.22 0.00 0.00 33.01 29.45 3k4i s GLN 166 CO -0.09 0.62 1.42 -2.30 -0.25 0.00 0.00 175.29 174.69 3k4i n PRO 167 N 1.08 1.86 0.00 2.91 -0.02 -1.26 -1.61 135.00 137.96 3k4i n PRO 167 Ca -0.10 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 3k4i n PRO 167 Cb 0.53 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 3k4i n PRO 167 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k4i n GLY 168 N 2.57 1.53 3.76 -1.23 0.00 -0.34 -4.92 105.19 106.56 3k4i n GLY 168 Ca 0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 3k4i n GLY 168 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3k4i s ASP 169 N -1.62 5.17 0.82 1.61 1.01 -0.64 -4.54 116.67 118.48 3k4i s ASP 169 Ca 0.00 2.15 -0.06 0.00 0.71 0.00 0.00 52.55 55.35 3k4i s ASP 169 Cb 0.00 -2.57 0.14 0.00 1.01 0.00 0.00 42.92 41.50 3k4i s ASP 169 CO 0.00 -1.60 0.89 -0.11 0.21 0.00 0.00 175.17 174.57 3k4i n LEU 170 N -2.03 0.00 0.00 1.23 7.94 -0.21 -0.45 117.00 123.47 3k4i n LEU 170 Ca 0.12 -1.39 0.00 0.00 -1.11 0.00 0.00 56.01 53.63 3k4i n LEU 170 Cb 0.51 -0.63 0.00 0.00 0.53 0.00 0.00 43.42 43.83 3k4i n LEU 170 CO 0.46 -1.05 0.00 0.52 -1.11 0.00 0.00 177.39 176.21 3k4i n VAL 172 N -2.95 0.00 -4.24 1.96 0.31 -0.71 -0.73 118.33 111.97 3k4i n VAL 172 Ca 0.13 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.28 3k4i n VAL 172 Cb 0.45 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 33.23 3k4i n VAL 172 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3k4i n ASP 174 N 3.27 0.00 0.09 0.00 5.68 -0.03 -1.16 116.55 124.40 3k4i n ASP 174 Ca -0.17 -0.43 0.20 0.00 -0.50 0.00 0.00 54.79 53.89 3k4i n ASP 174 Cb 0.55 0.00 0.74 0.00 -1.14 0.00 0.00 41.12 41.27 3k4i n ASP 174 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 3k4i h GLY 175 N 0.00 0.00 0.50 6.12 0.00 -1.95 -0.56 103.07 107.17 3k4i h GLY 175 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3k4i h GLY 175 CO 0.00 0.00 -0.17 1.44 0.00 0.00 0.00 176.54 177.81 3k4i n SER 176 N -3.72 0.80 0.00 0.19 7.64 -1.26 -4.59 113.62 112.68 3k4i n SER 176 Ca 0.08 -0.79 0.00 0.00 1.01 0.00 0.00 58.87 59.17 3k4i n SER 176 Cb 0.63 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.86 3k4i n SER 176 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3k4i n GLY 177 N 1.30 0.50 3.14 0.23 0.00 -0.22 -4.98 105.19 105.17 3k4i n GLY 177 Ca 0.14 -2.18 -0.26 0.00 0.00 0.00 0.00 46.02 43.72 3k4i n GLY 177 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k4i s VAL 179 N -0.10 1.81 -0.25 0.00 1.01 -0.11 -1.06 120.40 121.70 3k4i s VAL 179 Ca -0.00 -0.94 -0.08 0.00 0.00 0.00 0.00 61.98 60.95 3k4i s VAL 179 Cb -0.10 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 3k4i s VAL 179 CO 0.01 0.51 0.10 -0.69 0.00 0.00 0.00 175.10 175.04 3k4i s VAL 180 N -0.15 4.66 -0.27 2.92 1.01 -0.37 -1.74 120.40 126.46 3k4i s VAL 180 Ca -0.02 -0.06 -0.05 0.00 0.00 0.00 0.00 61.98 61.85 3k4i s VAL 180 Cb -0.12 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.08 3k4i s VAL 180 CO 0.03 0.33 0.03 -0.69 0.00 0.00 0.00 175.10 174.79 3k4i s VAL 181 N 1.51 3.73 0.20 2.92 1.01 0.09 -4.62 120.40 125.24 3k4i s VAL 181 Ca 0.06 -0.62 -0.33 0.00 0.00 0.00 0.00 61.98 61.09 3k4i s VAL 181 Cb -0.15 -2.85 -0.13 0.00 0.00 0.00 0.00 36.38 33.26 3k4i s VAL 181 CO 0.05 0.21 1.65 -2.65 0.00 0.00 0.00 175.10 174.36 3k4i n PRO 182 N 4.83 2.51 -0.36 2.72 -0.02 -1.26 -1.04 135.00 142.37 3k4i n PRO 182 Ca -0.16 0.90 0.06 0.00 -2.02 0.00 0.00 63.50 62.28 3k4i n PRO 182 Cb 0.49 -2.71 0.22 0.00 -0.02 0.00 0.00 33.50 31.48 3k4i n PRO 182 CO 0.00 0.00 0.00 -0.56 1.98 0.00 0.00 175.50 176.92 3k4i h GLN 183 N 6.26 1.03 0.00 -0.52 3.07 -1.91 -1.60 115.11 121.44 3k4i h GLN 183 Ca -0.44 -0.06 -0.01 0.00 0.09 0.00 0.00 58.65 58.23 3k4i h GLN 183 Cb 1.23 -0.23 -0.00 0.00 0.08 0.00 0.00 27.48 28.55 3k4i h GLN 183 CO 0.92 0.68 -0.05 1.96 0.09 0.00 0.00 178.83 182.43 3k4i h GLN 184 N 1.06 0.00 -0.21 0.06 4.20 -1.89 -2.53 115.11 115.80 3k4i h GLN 184 Ca 0.47 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.18 3k4i h GLN 184 Cb 0.37 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.15 3k4i h GLN 184 CO -0.23 0.05 0.00 1.28 -0.67 0.00 0.00 178.83 179.26 3k4i n LEU 185 N -3.42 2.49 -0.29 1.46 4.77 -0.65 -4.80 117.00 116.56 3k4i n LEU 185 Ca -0.02 -1.66 0.01 0.00 -0.03 0.00 0.00 56.01 54.31 3k4i n LEU 185 Cb 0.17 -0.14 0.14 0.00 -2.33 0.00 0.00 43.42 41.27 3k4i n LEU 185 CO 0.26 0.59 1.15 0.00 -1.33 0.00 0.00 177.39 178.06 3k4i h ALA 186 N 1.87 1.13 -0.27 -1.18 0.00 -0.98 -1.65 119.26 118.18 3k4i h ALA 186 Ca 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3k4i h ALA 186 Cb 0.61 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3k4i h ALA 186 CO 0.00 0.17 0.14 0.00 0.00 0.00 0.00 179.25 179.56 3k4i h ALA 187 N 1.41 0.35 -0.57 0.00 0.00 -1.87 -0.65 119.26 117.93 3k4i h ALA 187 Ca 0.37 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 3k4i h ALA 187 Cb 0.25 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3k4i h ALA 187 CO -0.20 -0.11 0.27 1.49 0.00 0.00 0.00 179.25 180.70 3k4i h GLU 188 N 0.32 0.83 -0.20 0.00 4.57 -1.83 -1.21 114.58 117.06 3k4i h GLU 188 Ca 0.09 -0.13 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 3k4i h GLU 188 Cb 0.08 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.52 3k4i h GLU 188 CO -0.01 0.68 0.10 0.28 -1.18 0.00 0.00 179.01 178.88 3k4i h VAL 189 N 0.78 1.13 -0.58 0.32 2.07 -1.13 -1.02 116.25 117.81 3k4i h VAL 189 Ca 0.20 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 3k4i h VAL 189 Cb 0.13 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 3k4i h VAL 189 CO -0.02 0.12 0.23 0.58 0.02 0.00 0.00 177.57 178.50 3k4i h VAL 190 N 0.20 1.23 -0.29 2.57 2.07 -1.01 0.16 116.25 121.18 3k4i h VAL 190 Ca 0.07 -0.71 0.02 0.00 0.82 0.00 0.00 66.70 66.90 3k4i h VAL 190 Cb 0.10 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 3k4i h VAL 190 CO -0.01 0.27 0.15 0.25 0.02 0.00 0.00 177.57 178.26 3k4i h LEU 191 N 0.80 0.24 -0.64 2.57 5.85 -1.10 0.56 115.31 123.59 3k4i h LEU 191 Ca 0.19 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.89 3k4i h LEU 191 Cb 0.20 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 3k4i h LEU 191 CO -0.02 0.18 0.27 0.03 -0.34 0.00 0.00 178.44 178.57 3k4i h ARG 192 N 0.32 0.94 -0.58 1.25 3.08 -0.93 -2.55 114.38 115.91 3k4i h ARG 192 Ca 0.12 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 3k4i h ARG 192 Cb 0.02 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 29.88 3k4i h ARG 192 CO -0.07 0.78 0.23 0.00 -1.07 0.00 0.00 179.97 179.84 3k4i h ALA 193 N 1.12 1.31 -0.51 0.04 0.00 -0.34 -0.38 119.26 120.51 3k4i h ALA 193 Ca 0.22 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3k4i h ALA 193 Cb 0.17 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3k4i h ALA 193 CO -0.02 0.51 0.03 -0.09 0.00 0.00 0.00 179.25 179.68 3k4i h ARG 194 N 0.84 0.84 0.08 0.00 2.43 -0.57 -1.09 114.38 116.90 3k4i h ARG 194 Ca 0.20 -0.22 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3k4i h ARG 194 Cb 0.16 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 3k4i h ARG 194 CO -0.02 0.82 -0.04 0.00 -1.51 0.00 0.00 179.97 179.23 3k4i h ALA 195 N 1.24 -0.10 -0.43 2.80 0.00 -1.01 0.12 119.26 121.88 3k4i h ALA 195 Ca 0.16 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.06 3k4i h ALA 195 Cb 0.44 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 3k4i h ALA 195 CO 0.02 -0.50 0.06 0.28 0.00 0.00 0.00 179.25 179.11 3k4i h VAL 196 N -0.22 0.74 -0.41 0.00 2.07 -0.87 -1.08 116.25 116.48 3k4i h VAL 196 Ca -0.01 -0.06 -0.05 0.00 0.82 0.00 0.00 66.70 67.39 3k4i h VAL 196 Cb 0.18 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 3k4i h VAL 196 CO 0.02 0.03 0.05 -0.33 0.02 0.00 0.00 177.57 177.36 3k4i h GLU 197 N 0.19 0.69 -0.60 1.57 5.08 -1.03 -1.93 114.58 118.55 3k4i h GLU 197 Ca 0.21 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3k4i h GLU 197 Cb 0.28 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 3k4i h GLU 197 CO -0.30 0.75 0.35 1.96 -1.00 0.00 0.00 179.01 180.77 3k4i h GLN 198 N 0.53 0.82 -0.33 2.33 4.20 -0.56 -0.79 115.11 121.31 3k4i h GLN 198 Ca 0.12 -0.08 0.01 0.00 0.06 0.00 0.00 58.65 58.76 3k4i h GLN 198 Cb 0.40 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 3k4i h GLN 198 CO 0.01 0.60 0.20 1.15 -0.67 0.00 0.00 178.83 180.12 3k4i h THR 199 N 0.81 1.05 -0.64 -0.54 2.02 -1.10 -2.73 112.91 111.78 3k4i h THR 199 Ca 0.21 -0.14 -0.07 0.00 0.77 0.00 0.00 66.41 67.18 3k4i h THR 199 Cb 0.00 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 3k4i h THR 199 CO -0.04 0.08 0.12 -0.33 0.37 0.00 0.00 175.52 175.72 3k4i h GLU 200 N 0.41 1.03 -0.75 6.66 5.08 -1.16 -1.92 114.58 123.94 3k4i h GLU 200 Ca 0.13 -0.25 0.07 0.00 -1.00 0.00 0.00 59.36 58.30 3k4i h GLU 200 Cb -0.02 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.04 3k4i h GLU 200 CO -0.05 0.93 0.43 -0.09 -1.00 0.00 0.00 179.01 179.23 3k4i h ARG 201 N 0.97 0.74 -0.63 2.33 9.65 -0.99 0.81 114.38 127.26 3k4i h ARG 201 Ca 0.20 -0.04 -0.08 0.00 -1.10 0.00 0.00 59.98 58.95 3k4i h ARG 201 Cb 0.39 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 28.78 3k4i h ARG 201 CO 0.01 0.49 0.07 0.00 2.80 0.00 0.00 179.97 183.34 3k4i h ARG 202 N 0.76 1.06 -0.33 0.20 3.08 -1.17 -0.51 114.38 117.46 3k4i h ARG 202 Ca 0.34 -0.30 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 3k4i h ARG 202 Cb 0.23 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 3k4i h ARG 202 CO -0.20 1.00 0.14 0.82 -1.07 0.00 0.00 179.97 180.65 3k4i h ILE 203 N 0.97 1.18 -0.44 2.04 2.04 -0.67 -2.29 117.51 120.34 3k4i h ILE 203 Ca 0.19 -0.56 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 3k4i h ILE 203 Cb 0.47 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 3k4i h ILE 203 CO 0.02 0.20 0.19 0.40 0.00 0.00 0.00 178.15 178.95 3k4i h ILE 204 N 0.39 1.20 -0.50 -0.67 2.04 -0.76 -0.97 117.51 118.24 3k4i h ILE 204 Ca 0.11 -0.60 0.10 0.00 1.00 0.00 0.00 64.86 65.47 3k4i h ILE 204 Cb 0.18 0.77 -0.08 0.00 -0.74 0.00 0.00 36.82 36.94 3k4i h ILE 204 CO -0.01 0.22 0.02 -0.33 0.00 0.00 0.00 178.15 178.05 3k4i h GLU 205 N 0.57 0.13 -0.60 2.37 5.08 -0.96 -1.11 114.58 120.07 3k4i h GLU 205 Ca 0.15 -0.01 -0.08 0.00 -1.00 0.00 0.00 59.36 58.42 3k4i h GLU 205 Cb 0.17 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 3k4i h GLU 205 CO -0.01 0.09 0.05 0.00 -1.00 0.00 0.00 179.01 178.13 3k4i h ALA 206 N 1.44 0.95 -0.82 3.43 0.00 -1.01 -2.72 119.26 120.52 3k4i h ALA 206 Ca 0.25 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3k4i h ALA 206 Cb 0.38 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3k4i h ALA 206 CO -0.40 0.64 0.41 0.82 0.00 0.00 0.00 179.25 180.73 3k4i h ILE 207 N 0.94 1.25 0.00 0.00 2.04 -0.58 -1.44 117.51 119.72 3k4i h ILE 207 Ca 0.18 -0.68 -0.06 0.00 1.00 0.00 0.00 64.86 65.30 3k4i h ILE 207 Cb 0.48 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 3k4i h ILE 207 CO 0.02 0.29 -0.30 0.77 0.00 0.00 0.00 178.15 178.94 3k4i h SER 208 N 1.17 0.00 -0.07 1.72 4.64 -0.92 -1.11 113.55 118.98 3k4i h SER 208 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 3k4i h SER 208 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3k4i h SER 208 CO -0.04 0.30 0.00 -1.54 -0.87 0.00 0.00 176.83 174.68 3k4i n SER 209 N -3.93 0.99 0.00 4.97 3.41 -1.03 -4.92 113.62 113.12 3k4i n SER 209 Ca -0.02 -1.50 0.00 0.00 -0.26 0.00 0.00 58.87 57.09 3k4i n SER 209 Cb 0.37 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 3k4i n SER 209 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k4i n GLY 210 N 1.03 0.89 3.76 5.00 0.00 -0.42 -5.08 105.19 110.37 3k4i n GLY 210 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 3k4i n GLY 210 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3k4i s SER 211 N -2.23 5.75 0.84 1.61 0.15 -0.57 -4.99 113.70 114.26 3k4i s SER 211 Ca 0.00 2.68 -0.11 0.00 0.70 0.00 0.00 55.95 59.22 3k4i s SER 211 Cb 0.00 -2.63 0.10 0.00 -1.71 0.00 0.00 66.02 61.78 3k4i s SER 211 CO 0.00 -1.23 1.11 0.42 1.20 0.00 0.00 173.24 174.73 3k4i s THR 212 N -1.33 2.82 0.25 6.45 -4.23 -1.26 -4.48 115.64 113.86 3k4i s THR 212 Ca 0.65 0.27 -0.04 0.00 -1.18 0.00 0.00 61.69 61.39 3k4i s THR 212 Cb -0.38 -2.59 0.15 0.00 1.34 0.00 0.00 72.50 71.02 3k4i s THR 212 CO 0.47 -0.35 1.80 0.25 -0.54 0.00 0.00 174.62 176.25 3k4i h LEU 213 N -1.46 0.91 -0.40 4.79 5.85 -1.98 -1.57 115.31 121.45 3k4i h LEU 213 Ca -0.45 -0.16 -0.00 0.00 0.84 0.00 0.00 57.88 58.11 3k4i h LEU 213 Cb 1.25 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 3k4i h LEU 213 CO 0.49 0.85 0.23 -0.08 -0.34 0.00 0.00 178.44 179.59 3k4i h GLU 214 N 0.94 0.54 -0.58 1.25 4.81 -1.99 -1.17 114.58 118.39 3k4i h GLU 214 Ca 0.21 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.43 3k4i h GLU 214 Cb 0.27 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 3k4i h GLU 214 CO -0.01 0.42 0.32 1.96 -0.73 0.00 0.00 179.01 180.97 3k4i h GLN 215 N 0.52 0.61 -0.49 1.92 4.20 -1.86 -2.76 115.11 117.23 3k4i h GLN 215 Ca 0.14 -0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.74 3k4i h GLN 215 Cb 0.02 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 27.64 3k4i h GLN 215 CO -0.03 0.40 0.02 0.00 -0.67 0.00 0.00 178.83 178.55 3k4i h ALA 216 N 1.28 1.10 0.00 3.87 0.00 -0.87 -3.49 119.26 121.15 3k4i h ALA 216 Ca 0.25 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3k4i h ALA 216 Cb 0.10 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3k4i h ALA 216 CO -0.14 0.57 0.00 0.54 0.00 0.00 0.00 179.25 180.22