#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k92 h LEU 17 N 0.00 0.81 0.00 1.20 6.46 -1.98 0.56 115.31 122.36 3k92 h LEU 17 Ca 0.00 0.07 -0.00 0.00 -0.12 0.00 0.00 57.88 57.83 3k92 h LEU 17 Cb 0.00 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 39.85 3k92 h LEU 17 CO 0.00 0.38 -0.00 0.15 -0.62 0.00 0.00 178.44 178.35 3k92 h PHE 18 N 0.86 -0.00 -0.18 1.25 3.04 -1.95 -0.18 116.94 119.77 3k92 h PHE 18 Ca 0.51 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.46 3k92 h PHE 18 Cb 0.61 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.11 3k92 h PHE 18 CO -0.02 0.38 0.11 -0.07 -2.02 0.00 0.00 178.31 176.69 3k92 h LEU 19 N -0.38 0.19 -1.02 0.59 3.38 -1.96 -0.83 115.31 115.28 3k92 h LEU 19 Ca -0.00 -0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 3k92 h LEU 19 Cb 0.38 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.00 3k92 h LEU 19 CO 0.00 0.14 0.63 0.77 0.09 0.00 0.00 178.44 180.07 3k92 h SER 20 N 0.23 0.91 0.73 -0.43 4.64 -0.74 -0.89 113.55 118.01 3k92 h SER 20 Ca 0.07 0.05 -0.20 0.00 -0.47 0.00 0.00 61.79 61.24 3k92 h SER 20 Cb -0.02 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 61.92 3k92 h SER 20 CO -0.02 0.48 -0.93 0.71 -0.87 0.00 0.00 176.83 176.20 3k92 h THR 21 N 0.98 1.56 -0.52 2.95 1.35 -0.66 -2.30 112.91 116.27 3k92 h THR 21 Ca 0.50 -2.88 -0.01 0.00 -0.55 0.00 0.00 66.41 63.47 3k92 h THR 21 Cb 0.51 2.61 -0.02 0.00 -1.73 0.00 0.00 68.15 69.52 3k92 h THR 21 CO -0.27 0.83 0.30 1.56 -0.25 0.00 0.00 175.52 177.70 3k92 h GLN 22 N 0.05 0.71 -0.03 4.72 4.20 -0.41 -1.85 115.11 122.51 3k92 h GLN 22 Ca -0.04 -0.07 -0.09 0.00 0.06 0.00 0.00 58.65 58.51 3k92 h GLN 22 Cb 1.60 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 29.22 3k92 h GLN 22 CO 0.13 0.54 -0.41 1.79 -0.67 0.00 0.00 178.83 180.21 3k92 h THR 23 N 0.69 1.30 -0.63 -0.54 1.35 -1.05 -0.44 112.91 113.60 3k92 h THR 23 Ca 0.18 -1.45 -0.04 0.00 -0.55 0.00 0.00 66.41 64.56 3k92 h THR 23 Cb 0.02 1.74 -0.03 0.00 -1.73 0.00 0.00 68.15 68.15 3k92 h THR 23 CO -0.03 0.42 0.25 0.40 -0.25 0.00 0.00 175.52 176.30 3k92 h ILE 24 N 0.06 1.23 -0.45 6.82 2.04 -1.14 -1.46 117.51 124.61 3k92 h ILE 24 Ca 0.00 -0.74 -0.06 0.00 1.00 0.00 0.00 64.86 65.07 3k92 h ILE 24 Cb 0.75 0.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 3k92 h ILE 24 CO 0.06 0.29 0.06 0.40 0.00 0.00 0.00 178.15 178.95 3k92 h ILE 25 N 0.88 1.25 -0.96 -0.67 1.08 -0.48 -0.57 117.51 118.05 3k92 h ILE 25 Ca 0.21 -0.94 0.00 0.00 -0.39 0.00 0.00 64.86 63.74 3k92 h ILE 25 Cb 0.21 0.98 -0.05 0.00 -3.07 0.00 0.00 36.82 34.89 3k92 h ILE 25 CO -0.02 0.33 0.61 0.50 -0.69 0.00 0.00 178.15 178.88 3k92 h LYS 26 N 0.62 1.28 -0.07 2.37 3.64 -0.87 -0.56 116.57 122.98 3k92 h LYS 26 Ca 0.14 -0.10 -0.16 0.00 -1.27 0.00 0.00 60.65 59.26 3k92 h LYS 26 Cb 0.41 -0.28 0.01 0.00 -0.41 0.00 0.00 32.23 31.96 3k92 h LYS 26 CO 0.01 0.87 -0.59 0.93 -2.27 0.00 0.00 179.45 178.40 3k92 h GLU 27 N 1.31 0.52 -0.54 1.90 4.39 -1.11 -0.89 114.58 120.15 3k92 h GLU 27 Ca 0.35 -0.47 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 3k92 h GLU 27 Cb -0.11 0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.63 3k92 h GLU 27 CO -0.07 1.10 0.30 0.00 -1.16 0.00 0.00 179.01 179.18 3k92 h ALA 28 N 0.42 0.69 -0.26 3.43 0.00 -0.99 -0.73 119.26 121.83 3k92 h ALA 28 Ca -0.05 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 3k92 h ALA 28 Cb 1.25 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3k92 h ALA 28 CO 0.12 0.20 -0.30 -0.07 0.00 0.00 0.00 179.25 179.21 3k92 h LEU 29 N 0.72 0.53 -0.23 0.00 3.38 -1.03 -1.39 115.31 117.30 3k92 h LEU 29 Ca 0.19 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 3k92 h LEU 29 Cb 0.03 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3k92 h LEU 29 CO -0.03 0.81 -0.15 -0.09 0.09 0.00 0.00 178.44 179.06 3k92 h ARG 30 N 0.45 0.51 0.00 1.13 2.43 -0.91 -1.91 114.38 116.08 3k92 h ARG 30 Ca 0.06 -0.24 -0.04 0.00 -0.81 0.00 0.00 59.98 58.94 3k92 h ARG 30 Cb 0.74 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 3k92 h ARG 30 CO 0.06 0.80 -0.21 -0.22 -1.51 0.00 0.00 179.97 178.89 3k92 h LYS 31 N 0.22 0.00 0.00 0.20 1.63 -1.00 -0.63 116.57 117.00 3k92 h LYS 31 Ca 0.05 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.84 3k92 h LYS 31 Cb 0.67 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.30 3k92 h LYS 31 CO 0.04 0.21 -0.04 -0.07 -3.45 0.00 0.00 179.45 176.14 3k92 h LEU 32 N 0.00 0.00 0.00 5.20 4.07 -0.95 -3.47 115.31 120.16 3k92 h LEU 32 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 3k92 h LEU 32 Cb 0.43 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.17 3k92 h LEU 32 CO 0.03 0.04 0.00 0.61 -1.08 0.00 0.00 178.44 178.04 3k92 n GLY 33 N 0.13 0.98 3.82 0.83 0.00 -0.24 -5.09 105.19 105.61 3k92 n GLY 33 Ca 0.01 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 3k92 n GLY 33 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k92 s TYR 34 N -2.00 3.65 0.92 1.61 2.02 -0.77 -5.02 117.35 117.76 3k92 s TYR 34 Ca 0.00 1.38 -0.16 0.00 -0.37 0.00 0.00 57.07 57.93 3k92 s TYR 34 Cb 0.00 -2.62 0.22 0.00 -0.40 0.00 0.00 41.96 39.16 3k92 s TYR 34 CO 0.00 0.34 1.06 -0.35 -1.57 0.00 0.00 175.55 175.03 3k92 n PRO 35 N 0.73 -1.80 0.26 -1.71 -0.04 -1.26 -4.52 135.00 126.65 3k92 n PRO 35 Ca -0.02 -1.65 0.12 0.00 -0.04 0.00 0.00 63.50 61.90 3k92 n PRO 35 Cb 0.51 -1.26 0.68 0.00 -0.04 0.00 0.00 33.50 33.39 3k92 n PRO 35 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3k92 h GLY 36 N -1.86 0.00 1.84 0.55 0.00 -1.99 -2.90 103.07 98.72 3k92 h GLY 36 Ca -0.36 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.84 3k92 h GLY 36 CO 0.25 0.00 -0.53 1.29 0.00 0.00 0.00 176.54 177.54 3k92 h ASP 37 N 0.00 0.19 -0.97 0.19 -0.00 -1.99 -1.14 116.42 112.69 3k92 h ASP 37 Ca -0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 57.03 56.94 3k92 h ASP 37 Cb 0.39 -0.05 -0.05 0.00 -0.00 0.00 0.00 39.33 39.62 3k92 h ASP 37 CO 0.02 0.69 0.61 -0.03 -0.00 0.00 0.00 179.24 180.52 3k92 h MET 38 N 0.13 1.29 -0.17 4.15 4.05 -1.88 -2.00 114.93 120.51 3k92 h MET 38 Ca 0.00 -0.10 -0.09 0.00 -0.28 0.00 0.00 59.70 59.23 3k92 h MET 38 Cb 0.99 -0.28 -0.01 0.00 -0.80 0.00 0.00 31.60 31.49 3k92 h MET 38 CO 0.08 0.88 -0.31 -0.92 0.23 0.00 0.00 176.91 176.87 3k92 h TYR 39 N 1.32 0.37 -0.01 1.39 5.03 -1.35 -1.21 116.97 122.51 3k92 h TYR 39 Ca 0.35 -0.08 -0.16 0.00 2.58 0.00 0.00 58.73 61.42 3k92 h TYR 39 Cb -0.10 -0.09 -0.02 0.00 1.55 0.00 0.00 36.73 38.07 3k92 h TYR 39 CO 0.00 0.61 -0.73 0.93 -1.32 0.00 0.00 178.16 177.65 3k92 h GLU 40 N 0.29 0.08 -0.36 1.82 4.39 -0.77 0.26 114.58 120.28 3k92 h GLU 40 Ca 0.04 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.60 3k92 h GLU 40 Cb 0.69 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.35 3k92 h GLU 40 CO 0.05 0.77 -0.05 1.25 -1.16 0.00 0.00 179.01 179.87 3k92 h LEU 41 N 0.05 0.67 0.00 1.33 7.12 -1.26 -3.34 115.31 119.88 3k92 h LEU 41 Ca -0.01 -0.34 0.00 0.00 0.13 0.00 0.00 57.88 57.65 3k92 h LEU 41 Cb 1.29 -0.18 0.00 0.00 -0.53 0.00 0.00 40.66 41.24 3k92 h LEU 41 CO 0.10 0.85 -0.59 0.24 -0.13 0.00 0.00 178.44 178.91 3k92 h MET 42 N 0.47 0.00 0.00 1.25 2.86 -0.73 -3.38 114.93 115.41 3k92 h MET 42 Ca 0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3k92 h MET 42 Cb 0.54 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.20 3k92 h MET 42 CO 0.03 0.00 0.00 1.57 1.06 0.00 0.00 176.91 179.57 3k92 h LYS 43 N 0.00 0.00 -3.92 1.72 2.10 -1.08 -3.43 116.57 111.95 3k92 h LYS 43 Ca 0.00 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.45 3k92 h LYS 43 Cb 0.86 0.00 -0.24 0.00 -0.90 0.00 0.00 32.23 31.95 3k92 h LYS 43 CO 0.00 0.00 -0.71 -2.00 -2.00 0.00 0.00 179.45 174.74 3k92 s GLU 44 N -3.35 0.20 0.52 0.07 2.56 -1.26 -4.95 118.70 112.48 3k92 s GLU 44 Ca 0.05 -0.36 -0.23 0.00 0.00 0.00 0.00 54.97 54.43 3k92 s GLU 44 Cb 0.09 0.03 -0.06 0.00 2.00 0.00 0.00 34.13 36.19 3k92 s GLU 44 CO 0.52 -0.02 1.37 -0.35 -0.56 0.00 0.00 175.26 176.22 3k92 n PRO 45 N 2.23 1.85 -0.28 4.30 -0.04 -1.26 -4.90 135.00 136.89 3k92 n PRO 45 Ca -0.19 0.67 0.05 0.00 -0.04 0.00 0.00 63.50 63.99 3k92 n PRO 45 Cb 0.57 -2.58 0.19 0.00 -0.04 0.00 0.00 33.50 31.64 3k92 n PRO 45 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 3k92 h GLN 46 N 1.68 0.61 -4.25 0.54 4.20 -0.30 -3.42 115.11 114.18 3k92 h GLN 46 Ca -0.51 -0.04 -0.40 0.00 0.06 0.00 0.00 58.65 57.76 3k92 h GLN 46 Cb 1.29 -0.14 -0.32 0.00 0.30 0.00 0.00 27.48 28.62 3k92 h GLN 46 CO 0.58 0.40 -0.77 1.03 -0.67 0.00 0.00 178.83 179.40 3k92 s ARG 47 N -6.01 0.82 -0.10 1.46 0.52 -0.97 -5.05 118.95 109.63 3k92 s ARG 47 Ca -0.12 -0.19 -0.00 0.00 -0.52 0.00 0.00 55.73 54.90 3k92 s ARG 47 Cb 0.20 -0.80 0.02 0.00 0.52 0.00 0.00 34.95 34.90 3k92 s ARG 47 CO 0.77 0.01 -0.07 1.41 0.02 0.00 0.00 175.30 177.44 3k92 s MET 48 N 0.52 1.42 -0.15 3.54 1.75 -1.26 -1.11 119.30 124.00 3k92 s MET 48 Ca -0.07 -0.23 -0.00 0.00 -1.25 0.00 0.00 55.69 54.14 3k92 s MET 48 Cb -0.11 -1.45 -0.01 0.00 2.84 0.00 0.00 34.83 36.10 3k92 s MET 48 CO 0.00 -0.22 -0.14 -1.17 -0.65 0.00 0.00 175.02 172.85 3k92 s LEU 49 N 1.54 2.59 -0.09 4.11 0.20 -0.01 -5.00 118.68 122.02 3k92 s LEU 49 Ca 0.01 -0.41 0.03 0.00 0.69 0.00 0.00 54.13 54.45 3k92 s LEU 49 Cb -0.13 -1.59 -0.01 0.00 -0.43 0.00 0.00 46.19 44.02 3k92 s LEU 49 CO -0.06 0.11 -0.18 0.28 -0.29 0.00 0.00 176.35 176.21 3k92 s THR 50 N 0.69 2.61 0.11 3.68 -1.32 -1.26 -0.89 115.64 119.25 3k92 s THR 50 Ca -0.07 -0.85 0.07 0.00 -1.21 0.00 0.00 61.69 59.64 3k92 s THR 50 Cb -0.15 -2.03 -0.04 0.00 -1.51 0.00 0.00 72.50 68.77 3k92 s THR 50 CO 0.02 0.56 -0.18 0.68 -2.21 0.00 0.00 174.62 173.48 3k92 s VAL 51 N -0.03 1.57 -0.16 5.08 -7.23 -0.42 -4.99 120.40 114.22 3k92 s VAL 51 Ca -0.05 -1.59 -0.01 0.00 -1.81 0.00 0.00 61.98 58.51 3k92 s VAL 51 Cb -0.14 -1.51 -0.01 0.00 0.56 0.00 0.00 36.38 35.27 3k92 s VAL 51 CO 0.05 -0.19 -0.10 -0.13 -0.31 0.00 0.00 175.10 174.42 3k92 s ARG 52 N -2.14 3.38 -0.29 4.82 0.52 -1.26 -0.54 118.95 123.44 3k92 s ARG 52 Ca 0.07 -0.66 0.00 0.00 -0.52 0.00 0.00 55.73 54.62 3k92 s ARG 52 Cb -0.09 -2.76 0.09 0.00 0.52 0.00 0.00 34.95 32.72 3k92 s ARG 52 CO 0.04 0.07 0.05 0.42 0.02 0.00 0.00 175.30 175.91 3k92 s ILE 53 N 0.73 1.28 -0.10 1.52 1.01 -0.20 -4.94 121.20 120.50 3k92 s ILE 53 Ca -0.05 -1.51 -0.30 0.00 0.00 0.00 0.00 60.65 58.80 3k92 s ILE 53 Cb -0.15 -1.87 -0.01 0.00 0.01 0.00 0.00 42.46 40.44 3k92 s ILE 53 CO 0.02 -0.51 1.04 -2.16 0.00 0.00 0.00 174.94 173.33 3k92 s PRO 54 N 1.43 4.40 -0.05 2.79 0.04 -1.26 -0.79 135.00 141.57 3k92 s PRO 54 Ca 0.06 1.44 0.03 0.00 0.04 0.00 0.00 61.00 62.57 3k92 s PRO 54 Cb -0.18 -3.55 0.01 0.00 0.04 0.00 0.00 34.50 30.82 3k92 s PRO 54 CO -0.16 -0.35 -0.12 0.08 0.04 0.00 0.00 177.00 176.48 3k92 s VAL 55 N 2.10 1.06 -0.26 -0.36 1.01 0.91 -4.97 120.40 119.89 3k92 s VAL 55 Ca 0.49 -0.48 -0.29 0.00 0.00 0.00 0.00 61.98 61.70 3k92 s VAL 55 Cb -0.19 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.24 3k92 s VAL 55 CO 0.18 0.33 1.22 -0.75 0.00 0.00 0.00 175.10 176.08 3k92 s LYS 56 N 0.36 4.06 0.54 2.72 2.36 -1.26 -0.95 119.74 127.56 3k92 s LYS 56 Ca -0.08 1.33 -0.04 0.00 -2.55 0.00 0.00 55.97 54.63 3k92 s LYS 56 Cb -0.12 -3.80 -0.00 0.00 -1.05 0.00 0.00 37.83 32.86 3k92 s LYS 56 CO 0.02 -0.92 0.82 -1.64 1.55 0.00 0.00 175.35 175.18 3k92 s MET 57 N 3.79 3.05 0.22 4.03 -1.94 0.57 -4.88 119.30 124.14 3k92 s MET 57 Ca 0.52 -0.10 -0.07 0.00 -1.71 0.00 0.00 55.69 54.33 3k92 s MET 57 Cb -0.17 -2.36 0.29 0.00 2.01 0.00 0.00 34.83 34.60 3k92 s MET 57 CO 0.18 -0.51 1.82 -0.44 -0.01 0.00 0.00 175.02 176.06 3k92 h ASP 58 N 0.04 0.67 0.00 3.03 3.32 -1.96 -1.64 116.42 119.88 3k92 h ASP 58 Ca -0.46 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.62 3k92 h ASP 58 Cb 1.25 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.69 3k92 h ASP 58 CO 0.60 0.43 0.00 -0.46 -1.72 0.00 0.00 179.24 178.09 3k92 n ASN 59 N -4.72 0.00 0.00 6.45 2.04 -1.26 -4.88 115.26 112.89 3k92 n ASN 59 Ca 0.10 -0.50 0.00 0.00 -0.44 0.00 0.00 54.58 53.74 3k92 n ASN 59 Cb 0.18 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.43 3k92 n ASN 59 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3k92 n GLY 60 N -0.10 3.18 3.64 4.83 0.00 -0.62 -5.07 105.19 111.06 3k92 n GLY 60 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 3k92 n GLY 60 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3k92 n SER 61 N 0.04 0.02 -4.44 1.61 3.41 -1.26 -4.72 113.62 108.28 3k92 n SER 61 Ca 0.00 0.36 -0.33 0.00 -0.26 0.00 0.00 58.87 58.63 3k92 n SER 61 Cb 0.00 -1.45 -0.13 0.00 -0.26 0.00 0.00 64.21 62.37 3k92 n SER 61 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3k92 s VAL 62 N -2.61 3.52 -0.06 -3.33 1.01 -1.26 -0.32 120.40 117.36 3k92 s VAL 62 Ca 0.67 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 62.20 3k92 s VAL 62 Cb -0.23 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.61 3k92 s VAL 62 CO 0.59 0.51 -0.19 -0.75 0.00 0.00 0.00 175.10 175.26 3k92 s LYS 63 N 0.37 2.58 -0.30 2.72 2.20 -0.13 -4.93 119.74 122.25 3k92 s LYS 63 Ca -0.07 -0.78 -0.08 0.00 -0.36 0.00 0.00 55.97 54.67 3k92 s LYS 63 Cb -0.15 -2.31 -0.00 0.00 -1.51 0.00 0.00 37.83 33.86 3k92 s LYS 63 CO 0.04 0.49 0.12 0.08 -0.36 0.00 0.00 175.35 175.72 3k92 s VAL 64 N -0.41 4.33 0.11 4.02 1.01 -1.26 -0.07 120.40 128.14 3k92 s VAL 64 Ca 0.04 -0.51 -0.02 0.00 0.00 0.00 0.00 61.98 61.49 3k92 s VAL 64 Cb -0.12 -3.21 -0.05 0.00 0.00 0.00 0.00 36.38 33.01 3k92 s VAL 64 CO 0.02 0.09 0.30 -0.36 0.00 0.00 0.00 175.10 175.15 3k92 s PHE 65 N 1.57 3.49 -0.23 5.22 0.40 0.03 -4.85 117.98 123.61 3k92 s PHE 65 Ca 0.04 0.39 -0.09 0.00 -0.60 0.00 0.00 56.93 56.66 3k92 s PHE 65 Cb -0.17 -1.87 -0.04 0.00 0.51 0.00 0.00 43.02 41.44 3k92 s PHE 65 CO 0.05 0.50 0.13 0.99 0.70 0.00 0.00 175.22 177.58 3k92 s THR 66 N -1.62 5.08 0.32 0.64 2.01 -1.26 -1.03 115.64 119.78 3k92 s THR 66 Ca 0.38 0.08 0.10 0.00 0.31 0.00 0.00 61.69 62.56 3k92 s THR 66 Cb -0.12 -3.36 -0.06 0.00 0.01 0.00 0.00 72.50 68.97 3k92 s THR 66 CO 0.27 0.36 -0.13 -0.83 -0.69 0.00 0.00 174.62 173.59 3k92 s GLY 67 N 1.06 2.07 0.04 4.40 0.00 0.30 -1.29 107.32 113.90 3k92 s GLY 67 Ca 0.06 -2.01 -0.00 0.00 0.00 0.00 0.00 44.72 42.78 3k92 s GLY 67 CO 0.04 -2.00 -0.04 -0.19 0.00 0.00 0.00 173.10 170.91 3k92 s TYR 68 N -2.59 0.47 -0.15 1.90 2.02 0.79 -1.30 117.35 118.49 3k92 s TYR 68 Ca 0.31 -0.81 -0.05 0.00 -0.37 0.00 0.00 57.07 56.15 3k92 s TYR 68 Cb -0.00 -0.33 0.07 0.00 -0.40 0.00 0.00 41.96 41.30 3k92 s TYR 68 CO 0.16 -0.26 0.31 0.50 -1.57 0.00 0.00 175.55 174.68 3k92 s ARG 69 N -2.80 0.20 -0.19 -0.62 6.06 -0.07 -2.54 118.95 118.98 3k92 s ARG 69 Ca -0.03 0.82 -0.04 0.00 -2.50 0.00 0.00 55.73 53.99 3k92 s ARG 69 Cb -0.00 0.06 -0.02 0.00 0.06 0.00 0.00 34.95 35.05 3k92 s ARG 69 CO -0.05 -0.27 -0.02 0.45 -2.50 0.00 0.00 175.30 172.90 3k92 s SER 70 N 2.44 4.67 -0.42 -2.12 0.15 0.23 -0.83 113.70 117.82 3k92 s SER 70 Ca 0.00 -0.23 -0.01 0.00 0.70 0.00 0.00 55.95 56.41 3k92 s SER 70 Cb -0.12 -1.79 0.11 0.00 -1.71 0.00 0.00 66.02 62.52 3k92 s SER 70 CO -0.10 0.08 0.19 -1.10 1.20 0.00 0.00 173.24 173.51 3k92 s GLN 71 N 0.91 1.93 0.02 5.44 -0.21 -0.26 -1.71 119.66 125.77 3k92 s GLN 71 Ca 0.00 -1.95 -0.26 0.00 0.02 0.00 0.00 55.36 53.17 3k92 s GLN 71 Cb -0.14 -3.50 -0.16 0.00 1.00 0.00 0.00 33.01 30.21 3k92 s GLN 71 CO 0.01 -1.05 1.22 1.25 -2.12 0.00 0.00 175.29 174.60 3k92 h HIS 72 N 7.77 -0.64 -1.82 0.91 -0.00 -1.33 -2.36 115.15 117.67 3k92 h HIS 72 Ca -0.09 -0.02 0.06 0.00 -0.00 0.00 0.00 60.37 60.32 3k92 h HIS 72 Cb 1.02 0.21 -0.23 0.00 -0.00 0.00 0.00 27.41 28.42 3k92 h HIS 72 CO 0.54 -0.32 0.13 1.21 -0.00 0.00 0.00 177.93 179.50 3k92 s ASN 73 N -4.74 -0.81 -0.17 3.26 3.84 -1.26 -0.51 114.94 114.55 3k92 s ASN 73 Ca -0.14 1.27 0.16 0.00 0.21 0.00 0.00 52.86 54.36 3k92 s ASN 73 Cb 0.02 1.41 0.39 0.00 -0.55 0.00 0.00 41.25 42.52 3k92 s ASN 73 CO 0.50 -0.20 1.26 -0.90 -2.79 0.00 0.00 177.10 174.97 3k92 n ASP 74 N 4.22 2.66 -0.35 -4.21 3.85 -1.26 -3.90 116.55 117.56 3k92 n ASP 74 Ca -0.19 -3.26 0.08 0.00 -0.71 0.00 0.00 54.79 50.71 3k92 n ASP 74 Cb 0.58 -0.50 0.26 0.00 -1.35 0.00 0.00 41.12 40.11 3k92 n ASP 74 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3k92 h ALA 75 N 0.71 1.56 0.00 2.12 0.00 -1.94 -2.95 119.26 118.75 3k92 h ALA 75 Ca 0.02 0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.72 3k92 h ALA 75 Cb 1.18 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 3k92 h ALA 75 CO 0.10 0.18 -1.41 0.28 0.00 0.00 0.00 179.25 178.41 3k92 h VAL 76 N 0.96 1.04 0.00 0.00 2.07 -1.86 -3.46 116.25 115.00 3k92 h VAL 76 Ca 0.50 -2.78 0.00 0.00 0.82 0.00 0.00 66.70 65.24 3k92 h VAL 76 Cb 0.54 2.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.79 3k92 h VAL 76 CO -0.27 0.59 0.00 0.61 0.02 0.00 0.00 177.57 178.52 3k92 n GLY 77 N 1.46 -0.73 3.71 2.17 0.00 -1.11 -4.37 105.19 106.31 3k92 n GLY 77 Ca -0.10 -0.85 -0.29 0.00 0.00 0.00 0.00 46.02 44.77 3k92 n GLY 77 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3k92 s PRO 78 N -0.83 1.00 0.47 1.61 0.04 -1.26 -3.60 135.00 132.43 3k92 s PRO 78 Ca 0.00 0.73 -0.02 0.00 0.04 0.00 0.00 61.00 61.75 3k92 s PRO 78 Cb 0.00 -1.79 -0.01 0.00 0.04 0.00 0.00 34.50 32.74 3k92 s PRO 78 CO 0.00 -2.39 0.72 0.95 0.04 0.00 0.00 177.00 176.31 3k92 s THR 79 N -2.94 4.18 -0.23 1.26 -4.23 -0.77 -1.50 115.64 111.42 3k92 s THR 79 Ca 0.64 -0.30 -0.12 0.00 -1.18 0.00 0.00 61.69 60.72 3k92 s THR 79 Cb -0.18 -3.57 0.07 0.00 1.34 0.00 0.00 72.50 70.16 3k92 s THR 79 CO 0.57 -0.45 0.55 -0.75 -0.54 0.00 0.00 174.62 174.00 3k92 s LYS 80 N -4.64 0.54 0.00 3.99 2.47 -0.64 -1.11 119.74 120.36 3k92 s LYS 80 Ca 0.48 1.04 0.00 0.00 -1.56 0.00 0.00 55.97 55.93 3k92 s LYS 80 Cb -0.10 0.12 0.00 0.00 -1.46 0.00 0.00 37.83 36.39 3k92 s LYS 80 CO 0.40 -0.16 0.00 0.41 0.16 0.00 0.00 175.35 176.16 3k92 n GLY 81 N 4.42 2.62 3.57 5.54 0.00 -1.06 -0.85 105.19 119.43 3k92 n GLY 81 Ca -0.20 -0.85 -0.28 0.00 0.00 0.00 0.00 46.02 44.68 3k92 n GLY 81 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k92 s GLY 82 N 0.00 1.55 -0.09 -0.02 0.00 -1.26 -3.49 107.32 104.02 3k92 s GLY 82 Ca 0.00 -0.25 0.04 0.00 0.00 0.00 0.00 44.72 44.51 3k92 s GLY 82 CO 0.00 0.44 -0.21 0.14 0.00 0.00 0.00 173.10 173.47 3k92 s VAL 83 N -2.68 1.79 -0.11 1.40 1.01 -1.00 -1.14 120.40 119.68 3k92 s VAL 83 Ca 0.67 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 61.74 3k92 s VAL 83 Cb -0.22 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 3k92 s VAL 83 CO 0.62 0.50 0.06 -0.13 0.00 0.00 0.00 175.10 176.14 3k92 s ARG 84 N 0.40 3.25 -0.24 2.72 0.52 -0.74 -3.35 118.95 121.50 3k92 s ARG 84 Ca -0.17 -0.30 -0.05 0.00 -0.52 0.00 0.00 55.73 54.69 3k92 s ARG 84 Cb -0.17 -2.98 -0.01 0.00 0.52 0.00 0.00 34.95 32.31 3k92 s ARG 84 CO 0.07 0.69 0.01 -0.06 0.02 0.00 0.00 175.30 176.03 3k92 s PHE 85 N -0.80 3.03 -0.24 -0.53 2.99 -0.35 -1.10 117.98 120.97 3k92 s PHE 85 Ca 0.13 -0.75 -0.27 0.00 0.00 0.00 0.00 56.93 56.04 3k92 s PHE 85 Cb -0.12 -2.17 0.12 0.00 0.00 0.00 0.00 43.02 40.86 3k92 s PHE 85 CO 0.03 -0.48 1.02 -1.58 -0.00 0.00 0.00 175.22 174.21 3k92 s HIS 86 N 1.53 -0.44 0.53 0.36 2.46 -1.09 -4.47 115.29 114.18 3k92 s HIS 86 Ca 0.06 0.97 0.19 0.00 0.47 0.00 0.00 55.06 56.75 3k92 s HIS 86 Cb -0.15 0.39 1.38 0.00 -0.13 0.00 0.00 32.58 34.07 3k92 s HIS 86 CO -0.00 -0.27 2.15 -1.35 -2.47 0.00 0.00 174.74 172.81 3k92 h PRO 87 N 3.63 0.00 -0.33 2.88 0.11 -1.42 -2.67 132.00 134.21 3k92 h PRO 87 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 3k92 h PRO 87 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3k92 h PRO 87 CO 0.18 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.36 3k92 n GLU 88 N -4.39 2.26 -1.65 1.05 -0.58 -1.26 -4.74 120.64 111.32 3k92 n GLU 88 Ca -0.02 -1.91 -0.46 0.00 -0.42 0.00 0.00 57.16 54.36 3k92 n GLU 88 Cb 0.14 -1.47 -0.03 0.00 -0.57 0.00 0.00 31.44 29.51 3k92 n GLU 88 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3k92 n VAL 89 N 1.12 0.85 -4.08 2.62 0.31 -1.01 -5.00 118.33 113.13 3k92 n VAL 89 Ca 0.18 -0.21 -0.12 0.00 -0.01 0.00 0.00 64.34 64.18 3k92 n VAL 89 Cb 0.51 -1.37 -0.06 0.00 -0.91 0.00 0.00 33.84 32.01 3k92 n VAL 89 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3k92 s ASN 90 N 0.30 0.34 0.11 4.52 6.03 -1.26 -4.77 114.94 120.19 3k92 s ASN 90 Ca 0.70 -1.24 -0.26 0.00 -1.03 0.00 0.00 52.86 51.03 3k92 s ASN 90 Cb -0.69 0.56 -0.09 0.00 -3.03 0.00 0.00 41.25 38.00 3k92 s ASN 90 CO 0.49 -1.12 1.66 -0.08 -2.03 0.00 0.00 177.10 176.03 3k92 h GLU 91 N 2.29 -0.35 -0.79 3.55 4.81 -2.00 -1.97 114.58 120.13 3k92 h GLU 91 Ca -0.29 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 58.94 3k92 h GLU 91 Cb 1.25 0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.67 3k92 h GLU 91 CO 0.41 -0.23 0.39 0.93 -0.73 0.00 0.00 179.01 179.77 3k92 h GLU 92 N -0.36 1.13 -0.81 1.92 5.08 -1.99 -1.22 114.58 118.33 3k92 h GLU 92 Ca 0.02 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 3k92 h GLU 92 Cb 0.38 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.38 3k92 h GLU 92 CO -0.10 0.86 0.43 0.87 -1.00 0.00 0.00 179.01 180.07 3k92 h LYS 93 N 1.12 1.13 -0.22 2.33 1.57 -1.90 -0.61 116.57 120.00 3k92 h LYS 93 Ca 0.27 -0.14 -0.05 0.00 -1.87 0.00 0.00 60.65 58.87 3k92 h LYS 93 Cb 0.10 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 3k92 h LYS 93 CO -0.04 0.84 -0.04 0.28 -0.57 0.00 0.00 179.45 179.92 3k92 h VAL 94 N 1.12 1.28 -0.79 0.50 2.07 -0.57 0.64 116.25 120.50 3k92 h VAL 94 Ca 0.28 -1.02 0.02 0.00 0.82 0.00 0.00 66.70 66.80 3k92 h VAL 94 Cb 0.05 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.28 3k92 h VAL 94 CO -0.04 0.31 0.52 0.11 0.02 0.00 0.00 177.57 178.49 3k92 h LYS 95 N 0.16 1.00 -0.06 1.57 1.57 -1.17 -0.03 116.57 119.60 3k92 h LYS 95 Ca 0.06 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3k92 h LYS 95 Cb 0.49 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 3k92 h LYS 95 CO 0.02 0.66 0.04 0.00 -0.57 0.00 0.00 179.45 179.60 3k92 h ALA 96 N 1.31 0.08 -0.33 3.86 0.00 -0.76 -2.17 119.26 121.26 3k92 h ALA 96 Ca 0.30 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 3k92 h ALA 96 Cb -0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3k92 h ALA 96 CO -0.09 -0.41 -0.13 -0.07 0.00 0.00 0.00 179.25 178.55 3k92 h LEU 97 N 0.06 0.56 -1.33 0.00 3.38 -0.49 -1.74 115.31 115.76 3k92 h LEU 97 Ca 0.02 -0.16 0.06 0.00 0.09 0.00 0.00 57.88 57.90 3k92 h LEU 97 Cb 0.03 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.58 3k92 h LEU 97 CO -0.00 0.72 0.50 0.77 0.09 0.00 0.00 178.44 180.52 3k92 h SER 98 N 0.52 0.72 0.04 -0.43 4.64 -0.68 -1.75 113.55 116.61 3k92 h SER 98 Ca 0.09 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3k92 h SER 98 Cb 0.54 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 3k92 h SER 98 CO 0.03 0.47 -0.02 0.40 -0.87 0.00 0.00 176.83 176.84 3k92 h ILE 99 N 0.82 1.06 -0.93 0.95 2.04 -0.69 -2.46 117.51 118.30 3k92 h ILE 99 Ca 0.33 -0.34 0.22 0.00 1.00 0.00 0.00 64.86 66.07 3k92 h ILE 99 Cb 0.23 1.29 -0.12 0.00 -0.74 0.00 0.00 36.82 37.48 3k92 h ILE 99 CO -0.11 0.09 0.47 -0.50 0.00 0.00 0.00 178.15 178.10 3k92 h TRP 100 N -0.21 0.79 -0.38 1.37 4.06 -1.10 -0.37 115.95 120.12 3k92 h TRP 100 Ca -0.01 0.04 -0.01 0.00 2.06 0.00 0.00 58.89 60.98 3k92 h TRP 100 Cb 0.19 -0.21 -0.02 0.00 -1.00 0.00 0.00 29.16 28.12 3k92 h TRP 100 CO -0.03 0.02 0.22 0.52 -3.56 0.00 0.00 178.44 175.61 3k92 h MET 101 N 0.49 0.53 -0.90 0.49 2.86 -1.21 -1.42 114.93 115.77 3k92 h MET 101 Ca 0.58 -0.06 0.23 0.00 -2.06 0.00 0.00 59.70 58.39 3k92 h MET 101 Cb 1.08 -0.11 -0.13 0.00 0.06 0.00 0.00 31.60 32.50 3k92 h MET 101 CO -0.49 0.42 0.37 1.15 1.06 0.00 0.00 176.91 179.42 3k92 h THR 102 N 0.49 0.43 -0.30 2.22 2.02 -0.59 0.11 112.91 117.29 3k92 h THR 102 Ca 0.13 -0.12 -0.07 0.00 0.77 0.00 0.00 66.41 67.12 3k92 h THR 102 Cb 0.04 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.49 3k92 h THR 102 CO -0.02 0.06 -0.09 -0.07 0.37 0.00 0.00 175.52 175.77 3k92 h LEU 103 N 0.35 0.60 -0.58 2.58 3.38 -0.87 -0.18 115.31 120.58 3k92 h LEU 103 Ca 0.57 -0.38 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3k92 h LEU 103 Cb 1.12 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 3k92 h LEU 103 CO -0.56 0.84 0.32 0.11 0.09 0.00 0.00 178.44 179.23 3k92 h LYS 104 N 0.35 0.81 -0.64 1.13 1.57 -0.58 0.11 116.57 119.32 3k92 h LYS 104 Ca 0.07 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3k92 h LYS 104 Cb 0.59 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 3k92 h LYS 104 CO 0.03 0.62 0.36 0.00 -0.57 0.00 0.00 179.45 179.90 3k92 h GLY 106 N 0.87 0.82 0.92 0.00 0.00 -0.45 0.14 103.07 105.38 3k92 h GLY 106 Ca 0.23 -0.47 -0.02 0.00 0.00 0.00 0.00 47.33 47.07 3k92 h GLY 106 CO -0.04 0.44 0.12 -2.22 0.00 0.00 0.00 176.54 174.84 3k92 h ILE 107 N 0.73 1.19 -0.02 2.60 2.04 -0.43 -2.40 117.51 121.22 3k92 h ILE 107 Ca 0.16 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.44 3k92 h ILE 107 Cb 0.30 0.97 0.00 0.00 -0.74 0.00 0.00 36.82 37.35 3k92 h ILE 107 CO 0.00 0.20 0.00 0.00 0.00 0.00 0.00 178.15 178.35 3k92 n ALA 108 N -2.28 2.63 -3.18 1.87 0.00 -0.69 -4.60 120.51 114.25 3k92 n ALA 108 Ca -0.02 -0.29 -0.23 0.00 0.00 0.00 0.00 53.44 52.90 3k92 n ALA 108 Cb 0.14 -1.35 0.03 0.00 0.00 0.00 0.00 19.45 18.27 3k92 n ALA 108 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3k92 n ASN 109 N -0.51 -5.36 -4.77 0.00 5.15 -0.55 -4.97 115.26 104.25 3k92 n ASN 109 Ca 0.21 -0.35 -0.40 0.00 -0.60 0.00 0.00 54.58 53.44 3k92 n ASN 109 Cb 0.20 -4.35 -0.02 0.00 -0.53 0.00 0.00 39.78 35.07 3k92 n ASN 109 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3k92 s LEU 110 N -6.68 4.35 -1.59 1.20 1.43 -0.07 -4.92 118.68 112.40 3k92 s LEU 110 Ca 0.36 2.47 -0.11 0.00 -1.03 0.00 0.00 54.13 55.83 3k92 s LEU 110 Cb -0.17 -3.80 -0.06 0.00 0.03 0.00 0.00 46.19 42.19 3k92 s LEU 110 CO 0.44 -0.53 2.80 -0.81 0.23 0.00 0.00 176.35 178.48 3k92 n PRO 111 N 0.56 3.54 -3.87 1.29 -0.04 -1.26 -4.76 135.00 130.46 3k92 n PRO 111 Ca 0.02 -2.31 -0.10 0.00 -0.04 0.00 0.00 63.50 61.06 3k92 n PRO 111 Cb 0.44 -2.90 -0.09 0.00 -0.04 0.00 0.00 33.50 30.92 3k92 n PRO 111 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3k92 s TYR 112 N 2.32 0.11 0.40 0.54 2.02 -1.26 -3.99 117.35 117.48 3k92 s TYR 112 Ca 0.65 -0.37 0.06 0.00 -0.37 0.00 0.00 57.07 57.04 3k92 s TYR 112 Cb 0.17 -0.07 0.06 0.00 -0.40 0.00 0.00 41.96 41.72 3k92 s TYR 112 CO -0.07 -0.42 0.49 0.41 -1.57 0.00 0.00 175.55 174.40 3k92 n GLY 113 N 0.66 2.18 3.85 0.71 0.00 -0.56 -4.55 105.19 107.48 3k92 n GLY 113 Ca -0.19 -2.21 -0.37 0.00 0.00 0.00 0.00 46.02 43.25 3k92 n GLY 113 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k92 s GLY 114 N -3.74 2.41 0.29 -0.02 0.00 -1.26 -1.62 107.32 103.39 3k92 s GLY 114 Ca 0.38 -0.30 0.04 0.00 0.00 0.00 0.00 44.72 44.83 3k92 s GLY 114 CO 0.24 0.02 0.20 -0.32 0.00 0.00 0.00 173.10 173.24 3k92 s GLY 115 N -1.21 2.04 -0.26 0.20 0.00 -0.03 -1.01 107.32 107.06 3k92 s GLY 115 Ca 0.25 -1.85 -0.28 0.00 0.00 0.00 0.00 44.72 42.83 3k92 s GLY 115 CO 0.13 -1.50 1.26 1.25 0.00 0.00 0.00 173.10 174.24 3k92 s LYS 116 N -3.75 0.22 0.16 2.90 2.47 -0.69 -3.13 119.74 117.92 3k92 s LYS 116 Ca 0.38 0.10 0.00 0.00 -1.56 0.00 0.00 55.97 54.89 3k92 s LYS 116 Cb 0.04 0.10 -0.04 0.00 -1.46 0.00 0.00 37.83 36.47 3k92 s LYS 116 CO 0.20 -0.06 0.05 0.20 0.16 0.00 0.00 175.35 175.90 3k92 s GLY 117 N -0.77 1.16 0.06 5.54 0.00 -0.29 -0.60 107.32 112.42 3k92 s GLY 117 Ca 0.06 -1.56 -0.26 0.00 0.00 0.00 0.00 44.72 42.95 3k92 s GLY 117 CO -0.07 -1.44 0.71 -0.32 0.00 0.00 0.00 173.10 171.98 3k92 s GLY 118 N -3.12 -0.55 -0.02 0.20 0.00 -1.05 -1.80 107.32 100.97 3k92 s GLY 118 Ca 0.26 0.89 0.04 0.00 0.00 0.00 0.00 44.72 45.92 3k92 s GLY 118 CO 0.04 0.43 -0.15 -0.42 0.00 0.00 0.00 173.10 173.00 3k92 s ILE 119 N -2.87 1.22 -0.63 0.90 1.01 -0.26 -0.15 121.20 120.42 3k92 s ILE 119 Ca -0.01 -0.63 -0.27 0.00 0.00 0.00 0.00 60.65 59.74 3k92 s ILE 119 Cb -0.01 -1.04 0.03 0.00 0.01 0.00 0.00 42.46 41.46 3k92 s ILE 119 CO -0.06 0.35 1.18 -0.63 0.00 0.00 0.00 174.94 175.78 3k92 s ILE 120 N -0.15 3.98 0.15 2.92 1.01 -0.41 -2.68 121.20 126.01 3k92 s ILE 120 Ca 0.02 0.62 -0.25 0.00 0.00 0.00 0.00 60.65 61.04 3k92 s ILE 120 Cb -0.08 -4.77 0.06 0.00 0.01 0.00 0.00 42.46 37.69 3k92 s ILE 120 CO 0.00 -1.48 0.83 0.00 0.00 0.00 0.00 174.94 174.29 3k92 s ASP 122 N -2.80 5.20 0.50 0.00 -1.08 -1.26 -1.12 116.67 116.11 3k92 s ASP 122 Ca 0.08 -2.09 0.32 0.00 -0.52 0.00 0.00 52.55 50.35 3k92 s ASP 122 Cb -0.02 -1.81 1.30 0.00 -1.46 0.00 0.00 42.92 40.93 3k92 s ASP 122 CO -0.02 -0.52 1.94 -0.65 0.52 0.00 0.00 175.17 176.44 3k92 h PRO 123 N 7.95 0.00 0.00 4.34 0.11 -1.94 -2.32 132.00 140.14 3k92 h PRO 123 Ca -0.12 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.97 3k92 h PRO 123 Cb 1.04 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 3k92 h PRO 123 CO 0.68 0.00 -0.13 0.00 -0.21 0.00 0.00 178.00 178.35 3k92 h ARG 124 N 0.00 0.00 -0.50 1.05 3.08 -1.97 -2.60 114.38 113.44 3k92 h ARG 124 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3k92 h ARG 124 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.54 3k92 h ARG 124 CO 0.00 0.13 0.00 0.25 -1.07 0.00 0.00 179.97 179.28 3k92 n THR 125 N -3.43 2.23 -4.60 2.04 -2.24 -0.87 -4.98 114.28 102.43 3k92 n THR 125 Ca -0.01 -1.43 -0.30 0.00 -2.27 0.00 0.00 64.05 60.04 3k92 n THR 125 Cb 0.30 -0.09 -0.13 0.00 -2.10 0.00 0.00 70.33 68.31 3k92 n THR 125 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3k92 s MET 126 N -2.36 1.85 0.72 -0.78 -1.94 -0.98 -5.09 119.30 110.72 3k92 s MET 126 Ca 0.48 -1.11 -0.11 0.00 -1.71 0.00 0.00 55.69 53.25 3k92 s MET 126 Cb 0.35 -2.09 0.03 0.00 2.01 0.00 0.00 34.83 35.13 3k92 s MET 126 CO 0.17 0.51 1.09 -1.54 -0.01 0.00 0.00 175.02 175.24 3k92 s SER 127 N -1.64 5.26 0.23 3.03 1.04 -1.26 -4.87 113.70 115.49 3k92 s SER 127 Ca 0.15 1.00 -0.07 0.00 0.48 0.00 0.00 55.95 57.51 3k92 s SER 127 Cb -0.10 -1.76 0.26 0.00 0.10 0.00 0.00 66.02 64.53 3k92 s SER 127 CO 0.06 -1.43 1.85 -0.26 0.98 0.00 0.00 173.24 174.44 3k92 h PHE 128 N -0.69 0.93 -0.62 5.02 0.04 -1.99 -1.61 116.94 118.01 3k92 h PHE 128 Ca -0.45 0.03 0.03 0.00 2.80 0.00 0.00 57.97 60.38 3k92 h PHE 128 Cb 1.27 -0.30 -0.04 0.00 2.20 0.00 0.00 35.95 39.08 3k92 h PHE 128 CO 0.46 0.50 0.37 0.78 -0.60 0.00 0.00 178.31 179.82 3k92 h GLY 129 N 0.94 0.89 1.00 -1.45 0.00 -1.99 -0.70 103.07 101.76 3k92 h GLY 129 Ca 0.33 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.39 3k92 h GLY 129 CO -0.14 0.23 0.21 0.83 0.00 0.00 0.00 176.54 177.67 3k92 h GLU 130 N 0.73 0.43 -0.65 4.80 5.08 -1.84 -0.89 114.58 122.24 3k92 h GLU 130 Ca 0.25 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.57 3k92 h GLU 130 Cb 0.04 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 3k92 h GLU 130 CO -0.11 0.28 0.33 -0.07 -1.00 0.00 0.00 179.01 178.44 3k92 h LEU 131 N 0.44 0.84 -0.53 1.33 3.38 -1.03 -0.95 115.31 118.78 3k92 h LEU 131 Ca 0.12 -0.12 0.09 0.00 0.09 0.00 0.00 57.88 58.06 3k92 h LEU 131 Cb -0.05 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.42 3k92 h LEU 131 CO -0.03 0.72 0.15 -0.08 0.09 0.00 0.00 178.44 179.29 3k92 h GLU 132 N 0.90 0.29 -0.55 1.13 4.81 -0.95 -0.70 114.58 119.50 3k92 h GLU 132 Ca 0.23 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.35 3k92 h GLU 132 Cb 0.09 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 3k92 h GLU 132 CO -0.03 0.19 -0.01 0.00 -0.73 0.00 0.00 179.01 178.43 3k92 h ARG 133 N 0.30 0.99 -0.59 1.92 3.08 -0.73 -1.37 114.38 117.98 3k92 h ARG 133 Ca 0.26 -0.32 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 3k92 h ARG 133 Cb 0.34 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.27 3k92 h ARG 133 CO -0.31 1.00 0.34 1.25 -1.07 0.00 0.00 179.97 181.18 3k92 h LEU 134 N 0.87 0.73 -0.03 3.04 5.85 -1.08 -0.55 115.31 124.14 3k92 h LEU 134 Ca 0.16 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 3k92 h LEU 134 Cb 0.56 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 3k92 h LEU 134 CO 0.03 0.60 0.02 0.28 -0.34 0.00 0.00 178.44 179.02 3k92 h SER 135 N 0.80 0.04 -0.71 1.25 0.02 -0.62 0.13 113.55 114.47 3k92 h SER 135 Ca 0.21 -0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 61.00 3k92 h SER 135 Cb 0.02 -0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 3k92 h SER 135 CO -0.04 0.15 0.28 0.03 -1.14 0.00 0.00 176.83 176.11 3k92 h ARG 136 N -0.07 1.06 -0.89 3.45 3.08 -1.24 -2.41 114.38 117.36 3k92 h ARG 136 Ca 0.01 -0.19 0.05 0.00 0.07 0.00 0.00 59.98 59.92 3k92 h ARG 136 Cb 0.12 -0.17 -0.05 0.00 0.08 0.00 0.00 29.97 29.94 3k92 h ARG 136 CO -0.00 0.87 0.58 0.78 -1.07 0.00 0.00 179.97 181.13 3k92 h GLY 137 N 1.01 1.28 0.76 0.04 0.00 -0.55 -0.13 103.07 105.48 3k92 h GLY 137 Ca 0.23 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 47.10 3k92 h GLY 137 CO -0.02 0.34 -0.07 -1.82 0.00 0.00 0.00 176.54 174.97 3k92 h TYR 138 N 1.06 0.37 -0.59 5.60 3.20 -0.57 -0.46 116.97 125.59 3k92 h TYR 138 Ca 0.37 -0.09 0.03 0.00 3.14 0.00 0.00 58.73 62.18 3k92 h TYR 138 Cb 0.11 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.26 3k92 h TYR 138 CO -0.00 0.64 0.35 0.28 -1.64 0.00 0.00 178.16 177.79 3k92 h VAL 139 N 0.00 1.05 -0.38 1.81 2.07 -1.12 -1.52 116.25 118.17 3k92 h VAL 139 Ca 0.04 -0.23 -0.11 0.00 0.82 0.00 0.00 66.70 67.22 3k92 h VAL 139 Cb 0.53 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 3k92 h VAL 139 CO 0.02 0.12 -0.20 0.03 0.02 0.00 0.00 177.57 177.57 3k92 h ARG 140 N 0.68 0.72 -0.34 1.57 3.08 -0.92 -1.76 114.38 117.42 3k92 h ARG 140 Ca 0.24 -0.28 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 3k92 h ARG 140 Cb 0.05 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 3k92 h ARG 140 CO -0.11 0.87 -0.08 0.00 -1.07 0.00 0.00 179.97 179.57 3k92 h ALA 141 N 1.14 1.22 -0.16 0.04 0.00 -0.52 -3.33 119.26 117.64 3k92 h ALA 141 Ca 0.09 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3k92 h ALA 141 Cb 0.69 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3k92 h ALA 141 CO 0.05 0.51 0.00 0.44 0.00 0.00 0.00 179.25 180.25 3k92 n ILE 142 N -4.21 0.45 0.05 0.00 -5.35 -0.62 -4.75 119.36 104.93 3k92 n ILE 142 Ca 0.01 -0.73 0.14 0.00 -0.27 0.00 0.00 62.75 61.90 3k92 n ILE 142 Cb 0.31 0.90 0.61 0.00 -1.74 0.00 0.00 39.64 39.72 3k92 n ILE 142 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 3k92 h SER 143 N 2.05 0.12 0.24 7.28 4.64 -1.44 -1.36 113.55 125.06 3k92 h SER 143 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3k92 h SER 143 Cb 0.57 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3k92 h SER 143 CO 0.00 0.07 0.00 1.56 -0.87 0.00 0.00 176.83 177.59 3k92 h GLN 144 N 0.13 0.00 0.00 4.77 4.20 -1.87 -3.12 115.11 119.22 3k92 h GLN 144 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 3k92 h GLN 144 Cb 0.55 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.33 3k92 h GLN 144 CO -0.02 0.00 -0.03 0.44 -0.67 0.00 0.00 178.83 178.55 3k92 n ILE 145 N -2.66 1.21 -4.12 2.54 -5.35 -0.51 -5.04 119.36 105.43 3k92 n ILE 145 Ca -0.01 -1.36 -0.13 0.00 -0.27 0.00 0.00 62.75 60.98 3k92 n ILE 145 Cb 0.11 0.25 -0.11 0.00 -1.74 0.00 0.00 39.64 38.15 3k92 n ILE 145 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 3k92 s VAL 146 N -1.59 0.71 -5.00 7.28 1.01 -1.18 -4.56 120.40 117.07 3k92 s VAL 146 Ca 0.12 -1.37 0.00 0.00 0.00 0.00 0.00 61.98 60.73 3k92 s VAL 146 Cb 0.11 -1.01 0.00 0.00 0.00 0.00 0.00 36.38 35.48 3k92 s VAL 146 CO 0.01 -0.49 0.00 0.61 0.00 0.00 0.00 175.10 175.23 3k92 n GLY 147 N 0.98 -1.46 0.39 4.51 0.00 -0.99 -4.82 105.19 103.81 3k92 n GLY 147 Ca -0.19 -1.56 0.19 0.00 0.00 0.00 0.00 46.02 44.46 3k92 n GLY 147 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3k92 h PRO 148 N 2.25 0.13 -0.11 1.61 0.11 -1.82 -0.10 132.00 134.06 3k92 h PRO 148 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 3k92 h PRO 148 Cb 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.08 3k92 h PRO 148 CO 0.00 0.09 0.00 0.25 -0.21 0.00 0.00 178.00 178.13 3k92 n THR 149 N -4.40 0.13 0.04 -1.15 -2.24 -1.26 -4.76 114.28 100.63 3k92 n THR 149 Ca 0.12 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 3k92 n THR 149 Cb 0.61 1.35 0.00 0.00 -2.10 0.00 0.00 70.33 70.19 3k92 n THR 149 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3k92 n LYS 150 N 1.31 0.00 -3.23 -0.78 5.02 -0.32 -4.55 118.16 115.60 3k92 n LYS 150 Ca 0.15 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.47 3k92 n LYS 150 Cb 0.57 -0.42 -0.02 0.00 -0.02 0.00 0.00 35.03 35.14 3k92 n LYS 150 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3k92 s ASP 151 N -5.48 -0.97 -0.35 4.39 2.15 -0.20 -1.84 116.67 114.36 3k92 s ASP 151 Ca 0.00 0.76 -0.03 0.00 0.43 0.00 0.00 52.55 53.71 3k92 s ASP 151 Cb 0.00 1.88 0.08 0.00 -0.30 0.00 0.00 42.92 44.57 3k92 s ASP 151 CO 0.00 -0.18 0.10 -0.63 -0.17 0.00 0.00 175.17 174.29 3k92 s ILE 152 N 2.84 3.19 0.66 4.11 1.01 -0.27 -2.33 121.20 130.41 3k92 s ILE 152 Ca 0.08 -1.67 -0.11 0.00 0.00 0.00 0.00 60.65 58.95 3k92 s ILE 152 Cb -0.12 -3.00 0.16 0.00 0.01 0.00 0.00 42.46 39.51 3k92 s ILE 152 CO -0.17 -0.38 0.74 -2.65 0.00 0.00 0.00 174.94 172.48 3k92 n PRO 153 N 4.62 -1.47 -3.67 2.79 -0.02 -1.16 -2.56 135.00 133.53 3k92 n PRO 153 Ca -0.08 -1.15 -0.06 0.00 -2.02 0.00 0.00 63.50 60.19 3k92 n PRO 153 Cb 0.43 -0.90 -0.02 0.00 -0.02 0.00 0.00 33.50 32.99 3k92 n PRO 153 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k92 s ALA 154 N -3.54 -1.63 0.67 3.55 0.00 -1.23 -0.59 121.76 118.99 3k92 s ALA 154 Ca 0.44 0.32 -0.15 0.00 0.00 0.00 0.00 51.96 52.57 3k92 s ALA 154 Cb -0.03 0.64 0.01 0.00 0.00 0.00 0.00 23.12 23.74 3k92 s ALA 154 CO 0.32 -0.93 1.14 -2.14 0.00 0.00 0.00 175.76 174.16 3k92 s PRO 155 N -3.38 2.66 0.00 0.00 0.02 -1.26 -2.37 135.00 130.68 3k92 s PRO 155 Ca 0.09 1.52 0.00 0.00 0.02 0.00 0.00 61.00 62.63 3k92 s PRO 155 Cb -0.02 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.58 3k92 s PRO 155 CO -0.01 -1.38 0.00 -3.47 -0.33 0.00 0.00 177.00 171.81 3k92 n ASP 156 N -2.39 0.00 -4.69 2.53 -0.08 -1.21 -4.45 116.55 106.26 3k92 n ASP 156 Ca 0.11 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 52.97 3k92 n ASP 156 Cb 0.51 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.94 3k92 n ASP 156 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 3k92 s VAL 157 N -0.87 2.85 -1.87 5.18 1.01 -1.26 -1.75 120.40 123.69 3k92 s VAL 157 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.26 3k92 s VAL 157 Cb 0.00 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.20 3k92 s VAL 157 CO 0.00 -0.00 0.00 -1.22 0.00 0.00 0.00 175.10 173.88 3k92 n TYR 158 N 5.83 -0.38 -4.30 5.22 4.01 -1.26 -1.21 117.16 125.07 3k92 n TYR 158 Ca 0.17 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.73 3k92 n TYR 158 Cb 0.40 -3.44 -0.10 0.00 -0.31 0.00 0.00 39.34 35.88 3k92 n TYR 158 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3k92 s THR 159 N -2.81 1.56 0.07 -0.72 -4.23 -0.72 -4.61 115.64 104.18 3k92 s THR 159 Ca 0.00 -2.01 -0.02 0.00 -1.18 0.00 0.00 61.69 58.48 3k92 s THR 159 Cb 0.00 -1.85 0.01 0.00 1.34 0.00 0.00 72.50 72.00 3k92 s THR 159 CO 0.00 -0.53 0.13 -0.46 -0.54 0.00 0.00 174.62 173.22 3k92 n ASN 160 N -0.01 -0.38 0.23 3.99 0.23 -1.26 -3.99 115.26 114.08 3k92 n ASN 160 Ca -0.11 -1.32 0.11 0.00 -0.53 0.00 0.00 54.58 52.73 3k92 n ASN 160 Cb 0.59 0.65 0.52 0.00 -2.08 0.00 0.00 39.78 39.45 3k92 n ASN 160 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 3k92 h SER 161 N 0.37 0.00 -0.49 0.53 4.64 -1.96 0.55 113.55 117.19 3k92 h SER 161 Ca -0.06 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.17 3k92 h SER 161 Cb 0.23 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 3k92 h SER 161 CO 0.08 0.19 -0.03 -0.61 -0.87 0.00 0.00 176.83 175.59 3k92 h GLN 162 N 0.00 0.89 -0.68 4.77 5.75 -1.97 -0.54 115.11 123.33 3k92 h GLN 162 Ca -0.00 -0.30 -0.07 0.00 -0.15 0.00 0.00 58.65 58.13 3k92 h GLN 162 Cb 0.67 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 29.12 3k92 h GLN 162 CO 0.02 0.94 0.16 0.82 -2.65 0.00 0.00 178.83 178.12 3k92 h ILE 163 N 0.74 1.26 -0.54 2.39 1.08 -1.33 -2.28 117.51 118.83 3k92 h ILE 163 Ca 0.13 -0.96 -0.10 0.00 -0.39 0.00 0.00 64.86 63.55 3k92 h ILE 163 Cb 0.56 0.57 -0.02 0.00 -3.07 0.00 0.00 36.82 34.86 3k92 h ILE 163 CO 0.03 0.36 -0.06 0.24 -0.69 0.00 0.00 178.15 178.04 3k92 h MET 164 N 1.02 0.97 -0.36 2.37 2.86 -0.86 -2.07 114.93 118.87 3k92 h MET 164 Ca 0.21 -0.32 -0.05 0.00 -2.06 0.00 0.00 59.70 57.48 3k92 h MET 164 Cb 0.37 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 3k92 h MET 164 CO 0.00 0.99 0.03 0.00 1.06 0.00 0.00 176.91 179.00 3k92 h ALA 165 N 1.04 0.48 -0.80 6.32 0.00 -0.88 0.62 119.26 126.03 3k92 h ALA 165 Ca 0.15 -0.22 0.09 0.00 0.00 0.00 0.00 54.91 54.92 3k92 h ALA 165 Cb 0.60 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.18 3k92 h ALA 165 CO 0.04 0.21 0.46 -1.49 0.00 0.00 0.00 179.25 178.46 3k92 h TRP 166 N 0.44 0.83 -0.28 0.00 6.55 -1.16 -0.29 115.95 122.04 3k92 h TRP 166 Ca 0.11 0.03 -0.11 0.00 0.95 0.00 0.00 58.89 59.86 3k92 h TRP 166 Cb 0.40 -0.25 -0.00 0.00 -0.86 0.00 0.00 29.16 28.45 3k92 h TRP 166 CO 0.03 0.35 -0.27 0.52 -1.05 0.00 0.00 178.44 178.02 3k92 h MET 167 N 0.78 0.68 -0.05 0.49 2.86 -1.18 -1.00 114.93 117.49 3k92 h MET 167 Ca 0.38 -0.35 0.01 0.00 -2.06 0.00 0.00 59.70 57.68 3k92 h MET 167 Cb 0.33 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 3k92 h MET 167 CO -0.24 0.96 -0.01 1.98 1.06 0.00 0.00 176.91 180.66 3k92 h MET 168 N 0.41 -0.00 -0.30 1.72 1.85 -0.72 -0.97 114.93 116.92 3k92 h MET 168 Ca 0.05 0.00 0.06 0.00 -0.61 0.00 0.00 59.70 59.20 3k92 h MET 168 Cb 0.83 0.00 -0.06 0.00 0.43 0.00 0.00 31.60 32.81 3k92 h MET 168 CO 0.07 -0.00 -0.07 0.22 -0.40 0.00 0.00 176.91 176.73 3k92 h ASP 169 N -0.00 -0.26 -0.64 1.39 3.58 -0.88 -1.01 116.42 118.59 3k92 h ASP 169 Ca 0.03 0.09 -0.05 0.00 0.42 0.00 0.00 57.03 57.52 3k92 h ASP 169 Cb 0.04 0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.24 3k92 h ASP 169 CO -0.05 -0.09 0.22 -0.08 -2.88 0.00 0.00 179.24 176.35 3k92 h GLU 170 N 0.01 0.98 -0.26 0.28 4.57 -0.92 -1.99 114.58 117.25 3k92 h GLU 170 Ca 0.15 -0.20 -0.04 0.00 -1.18 0.00 0.00 59.36 58.09 3k92 h GLU 170 Cb 0.22 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 3k92 h GLU 170 CO -0.30 0.84 0.01 -0.92 -1.18 0.00 0.00 179.01 177.46 3k92 h TYR 171 N 0.91 0.48 -0.98 0.92 3.20 -0.74 -1.75 116.97 119.00 3k92 h TYR 171 Ca 0.21 -0.08 0.17 0.00 3.14 0.00 0.00 58.73 62.17 3k92 h TYR 171 Cb 0.26 -0.13 -0.10 0.00 1.54 0.00 0.00 36.73 38.30 3k92 h TYR 171 CO 0.02 0.59 0.58 0.77 -1.64 0.00 0.00 178.16 178.48 3k92 h SER 172 N 0.23 0.76 -0.14 -2.11 0.02 -0.98 -1.68 113.55 109.66 3k92 h SER 172 Ca 0.07 0.09 -0.14 0.00 -0.84 0.00 0.00 61.79 60.97 3k92 h SER 172 Cb 0.39 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 3k92 h SER 172 CO 0.01 0.29 -0.42 0.03 -1.14 0.00 0.00 176.83 175.61 3k92 h ARG 173 N 0.77 0.68 -0.70 3.45 -0.00 -0.68 0.45 114.38 118.35 3k92 h ARG 173 Ca 0.55 -0.36 -0.00 0.00 -0.50 0.00 0.00 59.98 59.67 3k92 h ARG 173 Cb 0.81 0.01 -0.03 0.00 0.00 0.00 0.00 29.97 30.76 3k92 h ARG 173 CO -0.37 0.97 0.43 -0.07 0.00 0.00 0.00 179.97 180.93 3k92 h LEU 174 N 0.55 0.84 0.00 3.04 3.38 -0.77 -2.94 115.31 119.41 3k92 h LEU 174 Ca 0.04 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3k92 h LEU 174 Cb 0.95 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.49 3k92 h LEU 174 CO 0.09 0.65 -0.38 0.54 0.09 0.00 0.00 178.44 179.43 3k92 n ARG 175 N -4.54 0.26 -1.29 1.13 5.12 -0.68 -4.95 116.66 111.70 3k92 n ARG 175 Ca 0.06 0.13 -0.07 0.00 -1.93 0.00 0.00 57.85 56.04 3k92 n ARG 175 Cb 0.05 -1.72 -0.03 0.00 -1.16 0.00 0.00 32.46 29.61 3k92 n ARG 175 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3k92 n GLU 176 N -2.13 -0.48 -3.65 5.56 1.02 0.11 -4.99 120.64 116.08 3k92 n GLU 176 Ca 0.04 0.70 -0.14 0.00 -0.02 0.00 0.00 57.16 57.74 3k92 n GLU 176 Cb 0.43 -4.50 -0.08 0.00 -0.02 0.00 0.00 31.44 27.28 3k92 n GLU 176 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 3k92 s PHE 177 N -2.26 -0.68 -0.09 -0.32 -0.12 -0.97 -5.04 117.98 108.51 3k92 s PHE 177 Ca 0.00 1.60 -0.37 0.00 -0.05 0.00 0.00 56.93 58.10 3k92 s PHE 177 Cb 0.00 0.25 -0.15 0.00 -0.63 0.00 0.00 43.02 42.49 3k92 s PHE 177 CO 0.00 -0.36 1.62 -0.25 -0.05 0.00 0.00 175.22 176.18 3k92 n ASP 178 N 2.50 2.41 -2.90 1.98 8.00 -1.26 -4.38 116.55 122.89 3k92 n ASP 178 Ca -0.15 1.07 -0.19 0.00 0.71 0.00 0.00 54.79 56.24 3k92 n ASP 178 Cb 0.56 -1.22 -0.01 0.00 -0.02 0.00 0.00 41.12 40.42 3k92 n ASP 178 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3k92 n SER 179 N 4.49 2.38 -0.34 -2.24 7.64 -1.26 -4.95 113.62 119.34 3k92 n SER 179 Ca 0.22 -3.20 0.12 0.00 1.01 0.00 0.00 58.87 57.03 3k92 n SER 179 Cb 0.19 -0.56 0.32 0.00 -1.01 0.00 0.00 64.21 63.15 3k92 n SER 179 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3k92 h PRO 180 N 2.94 0.76 0.00 1.43 0.13 -1.92 -2.43 132.00 132.91 3k92 h PRO 180 Ca 0.09 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 3k92 h PRO 180 Cb 0.90 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 31.86 3k92 h PRO 180 CO 0.62 0.50 0.00 0.41 -0.23 0.00 0.00 178.00 179.31 3k92 n GLY 181 N -1.36 -0.60 0.23 1.56 0.00 -1.26 -2.98 105.19 100.77 3k92 n GLY 181 Ca 0.21 -0.06 -0.00 0.00 0.00 0.00 0.00 46.02 46.17 3k92 n GLY 181 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3k92 h PHE 182 N 0.00 0.33 -2.72 1.61 3.57 -1.75 -3.36 116.94 114.62 3k92 h PHE 182 Ca 0.00 -0.06 -0.12 0.00 3.53 0.00 0.00 57.97 61.32 3k92 h PHE 182 Cb 0.09 -0.08 -0.24 0.00 2.79 0.00 0.00 35.95 38.50 3k92 h PHE 182 CO 0.00 0.52 -0.24 -1.50 -2.23 0.00 0.00 178.31 174.87 3k92 s ILE 183 N -4.49 -0.00 0.50 1.41 2.07 -1.16 -2.98 121.20 116.54 3k92 s ILE 183 Ca -0.05 0.01 0.06 0.00 -1.41 0.00 0.00 60.65 59.26 3k92 s ILE 183 Cb 0.14 -0.59 0.02 0.00 0.13 0.00 0.00 42.46 42.16 3k92 s ILE 183 CO 0.76 0.00 0.39 0.42 -1.91 0.00 0.00 174.94 174.61 3k92 s THR 184 N 0.36 2.03 0.00 4.00 -4.23 0.24 -4.65 115.64 113.38 3k92 s THR 184 Ca -0.01 -1.45 0.00 0.00 -1.18 0.00 0.00 61.69 59.05 3k92 s THR 184 Cb -0.04 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.33 3k92 s THR 184 CO -0.01 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.68 3k92 n GLY 185 N -1.68 0.55 3.81 3.99 0.00 -1.26 -4.11 105.19 106.50 3k92 n GLY 185 Ca 0.01 -0.70 -0.33 0.00 0.00 0.00 0.00 46.02 45.00 3k92 n GLY 185 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k92 s LYS 186 N -1.31 3.64 0.45 1.61 1.02 -1.26 -4.02 119.74 119.86 3k92 s LYS 186 Ca 0.00 1.16 -0.23 0.00 0.02 0.00 0.00 55.97 56.92 3k92 s LYS 186 Cb 0.00 -2.08 -0.10 0.00 -0.52 0.00 0.00 37.83 35.13 3k92 s LYS 186 CO 0.00 -0.54 0.93 -2.30 -0.92 0.00 0.00 175.35 172.52 3k92 n PRO 187 N -1.63 1.16 -0.31 -1.68 -0.02 -1.26 -3.78 135.00 127.48 3k92 n PRO 187 Ca 0.08 0.42 0.16 0.00 -2.02 0.00 0.00 63.50 62.14 3k92 n PRO 187 Cb 0.53 -1.97 0.41 0.00 -0.02 0.00 0.00 33.50 32.45 3k92 n PRO 187 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3k92 h LEU 188 N 1.26 0.61 -0.95 2.45 4.07 -1.91 -0.26 115.31 120.58 3k92 h LEU 188 Ca -0.44 0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.59 3k92 h LEU 188 Cb 1.35 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 43.06 3k92 h LEU 188 CO 0.55 0.22 0.00 -0.37 -1.08 0.00 0.00 178.44 177.76 3k92 h VAL 189 N 0.59 0.00 -0.52 1.22 -1.51 -1.91 -2.36 116.25 111.76 3k92 h VAL 189 Ca 0.54 -0.28 0.00 0.00 -1.23 0.00 0.00 66.70 65.73 3k92 h VAL 189 Cb 1.07 1.07 0.00 0.00 -2.13 0.00 0.00 31.29 31.30 3k92 h VAL 189 CO -0.29 0.00 0.00 0.18 -1.23 0.00 0.00 177.57 176.23 3k92 n LEU 190 N -2.45 4.39 0.00 4.19 4.77 -0.20 -4.91 117.00 122.79 3k92 n LEU 190 Ca 0.02 -2.53 0.00 0.00 -0.03 0.00 0.00 56.01 53.47 3k92 n LEU 190 Cb 0.24 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 3k92 n LEU 190 CO 0.21 0.76 0.00 0.61 -1.33 0.00 0.00 177.39 177.64 3k92 n GLY 191 N 0.67 1.46 3.58 -0.72 0.00 -0.89 -4.82 105.19 104.48 3k92 n GLY 191 Ca 0.23 -0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 3k92 n GLY 191 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k92 s GLY 192 N -2.15 1.58 0.05 -0.02 0.00 -0.66 -4.79 107.32 101.33 3k92 s GLY 192 Ca 0.00 -0.07 0.03 0.00 0.00 0.00 0.00 44.72 44.68 3k92 s GLY 192 CO 0.00 0.56 0.00 -0.45 0.00 0.00 0.00 173.10 173.21 3k92 s SER 193 N -2.83 5.07 0.92 1.64 0.15 -1.26 -4.71 113.70 112.68 3k92 s SER 193 Ca 0.67 -0.11 -0.12 0.00 0.70 0.00 0.00 55.95 57.09 3k92 s SER 193 Cb -0.23 -1.26 0.14 0.00 -1.71 0.00 0.00 66.02 62.97 3k92 s SER 193 CO 0.61 0.22 1.10 -1.10 1.20 0.00 0.00 173.24 175.27 3k92 s GLN 194 N -2.01 1.09 0.00 5.44 -1.52 -1.26 -4.32 119.66 117.08 3k92 s GLN 194 Ca 0.23 0.61 0.00 0.00 -1.95 0.00 0.00 55.36 54.25 3k92 s GLN 194 Cb -0.12 -1.81 0.00 0.00 -0.22 0.00 0.00 33.01 30.87 3k92 s GLN 194 CO 0.15 -2.30 0.00 0.41 -0.25 0.00 0.00 175.29 173.30 3k92 n GLY 195 N -1.44 0.41 0.16 3.09 0.00 -1.26 -4.91 105.19 101.24 3k92 n GLY 195 Ca 0.06 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.18 3k92 n GLY 195 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3k92 h ARG 196 N 0.84 0.00 -0.01 1.61 0.11 -1.96 -2.95 114.38 112.02 3k92 h ARG 196 Ca 0.00 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 59.90 3k92 h ARG 196 Cb 0.20 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.27 3k92 h ARG 196 CO 0.00 0.10 -0.79 1.49 0.10 0.00 0.00 179.97 180.86 3k92 h GLU 197 N 0.00 0.18 -0.17 0.08 4.57 -1.92 -3.26 114.58 114.05 3k92 h GLU 197 Ca -0.02 -0.17 0.00 0.00 -1.18 0.00 0.00 59.36 57.99 3k92 h GLU 197 Cb 1.11 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 3k92 h GLU 197 CO 0.01 0.88 0.00 0.25 -1.18 0.00 0.00 179.01 178.97 3k92 n THR 198 N -3.71 0.44 -0.13 0.32 -2.24 -1.25 -4.77 114.28 102.94 3k92 n THR 198 Ca -0.03 -0.72 -0.06 0.00 -2.27 0.00 0.00 64.05 60.97 3k92 n THR 198 Cb 0.75 0.92 0.00 0.00 -2.10 0.00 0.00 70.33 69.90 3k92 n THR 198 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k92 h ALA 199 N 2.29 -0.03 -0.09 6.98 0.00 -1.56 0.45 119.26 127.30 3k92 h ALA 199 Ca 0.00 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3k92 h ALA 199 Cb 0.61 0.61 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 3k92 h ALA 199 CO 0.00 -0.64 0.04 1.15 0.00 0.00 0.00 179.25 179.79 3k92 h THR 200 N -0.19 1.15 -0.55 0.00 2.02 -1.84 -2.79 112.91 110.72 3k92 h THR 200 Ca 0.20 -0.45 -0.02 0.00 0.77 0.00 0.00 66.41 66.91 3k92 h THR 200 Cb 0.50 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 68.16 3k92 h THR 200 CO -0.54 0.13 0.26 0.00 0.37 0.00 0.00 175.52 175.74 3k92 h ALA 201 N 0.87 0.70 -0.84 6.16 0.00 -1.79 -2.12 119.26 122.25 3k92 h ALA 201 Ca 0.03 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 54.90 3k92 h ALA 201 Cb 0.17 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 3k92 h ALA 201 CO -0.00 0.27 0.55 1.96 0.00 0.00 0.00 179.25 182.02 3k92 h GLN 202 N 0.74 0.82 -0.40 0.00 4.20 -0.88 -2.63 115.11 116.96 3k92 h GLN 202 Ca 0.19 -0.05 -0.10 0.00 0.06 0.00 0.00 58.65 58.75 3k92 h GLN 202 Cb 0.12 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 3k92 h GLN 202 CO -0.02 0.54 -0.14 0.78 -0.67 0.00 0.00 178.83 179.32 3k92 h GLY 203 N 0.85 0.87 0.45 3.46 0.00 -1.11 -1.41 103.07 106.18 3k92 h GLY 203 Ca 0.38 -0.75 0.06 0.00 0.00 0.00 0.00 47.33 47.02 3k92 h GLY 203 CO -0.15 0.68 0.00 -2.08 0.00 0.00 0.00 176.54 175.00 3k92 h VAL 204 N 0.61 0.74 -0.47 4.60 2.07 -1.15 -0.81 116.25 121.85 3k92 h VAL 204 Ca 0.10 -0.03 -0.07 0.00 0.82 0.00 0.00 66.70 67.51 3k92 h VAL 204 Cb 0.68 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 3k92 h VAL 204 CO 0.05 0.02 -0.00 0.71 0.02 0.00 0.00 177.57 178.36 3k92 h THR 205 N 0.10 1.24 -0.19 2.57 1.35 -1.35 -0.46 112.91 116.17 3k92 h THR 205 Ca 0.17 -0.99 -0.08 0.00 -0.55 0.00 0.00 66.41 64.96 3k92 h THR 205 Cb 0.23 0.89 -0.01 0.00 -1.73 0.00 0.00 68.15 67.52 3k92 h THR 205 CO -0.28 0.35 -0.23 0.40 -0.25 0.00 0.00 175.52 175.51 3k92 h ILE 206 N 0.72 1.24 -0.24 6.82 2.04 -0.94 -1.97 117.51 125.19 3k92 h ILE 206 Ca 0.14 -1.12 -0.20 0.00 1.00 0.00 0.00 64.86 64.68 3k92 h ILE 206 Cb 0.44 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 3k92 h ILE 206 CO 0.02 0.35 -0.65 0.00 0.00 0.00 0.00 178.15 177.87 3k92 h ILE 208 N 0.62 0.78 -1.00 0.00 2.04 -0.94 -0.79 117.51 118.22 3k92 h ILE 208 Ca -0.01 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.00 3k92 h ILE 208 Cb 1.27 0.78 -0.09 0.00 -0.74 0.00 0.00 36.82 38.04 3k92 h ILE 208 CO 0.14 0.00 0.62 -0.33 0.00 0.00 0.00 178.15 178.58 3k92 h GLU 209 N -0.05 0.87 -0.09 2.37 5.08 -1.31 -2.03 114.58 119.42 3k92 h GLU 209 Ca 0.08 -0.05 -0.21 0.00 -1.00 0.00 0.00 59.36 58.17 3k92 h GLU 209 Cb 0.17 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.23 3k92 h GLU 209 CO -0.18 0.57 -0.81 0.93 -1.00 0.00 0.00 179.01 178.52 3k92 h GLU 210 N 0.89 0.58 -0.43 2.33 4.39 -0.73 -3.10 114.58 118.51 3k92 h GLU 210 Ca 0.53 -0.51 -0.07 0.00 0.34 0.00 0.00 59.36 59.66 3k92 h GLU 210 Cb 0.67 0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.42 3k92 h GLU 210 CO -0.32 1.13 0.00 0.00 -1.16 0.00 0.00 179.01 178.67 3k92 h ALA 211 N 0.71 0.58 -0.18 3.43 0.00 -0.78 -2.60 119.26 120.41 3k92 h ALA 211 Ca -0.06 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.64 3k92 h ALA 211 Cb 1.43 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 3k92 h ALA 211 CO 0.15 0.36 -0.19 0.28 0.00 0.00 0.00 179.25 179.85 3k92 h VAL 212 N 0.59 0.50 -0.52 0.00 2.07 -1.46 -1.68 116.25 115.76 3k92 h VAL 212 Ca 0.12 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.75 3k92 h VAL 212 Cb 0.49 0.50 -0.09 0.00 -1.52 0.00 0.00 31.29 30.66 3k92 h VAL 212 CO 0.02 0.00 -0.09 0.11 0.02 0.00 0.00 177.57 177.63 3k92 h LYS 213 N -0.22 0.03 0.00 1.57 1.57 -1.45 -1.56 116.57 116.51 3k92 h LYS 213 Ca 0.12 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.89 3k92 h LYS 213 Cb 0.39 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.70 3k92 h LYS 213 CO -0.31 0.02 0.00 0.87 -0.57 0.00 0.00 179.45 179.46 3k92 h LYS 214 N 0.03 0.00 -0.60 3.15 6.56 -0.94 -1.48 116.57 123.29 3k92 h LYS 214 Ca 0.25 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.84 3k92 h LYS 214 Cb 0.39 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.05 3k92 h LYS 214 CO -0.50 0.00 0.00 1.17 -2.06 0.00 0.00 179.45 178.06 3k92 n LYS 215 N -3.06 3.10 -2.01 3.15 3.00 -0.75 -4.96 118.16 116.63 3k92 n LYS 215 Ca -0.01 -2.61 -0.20 0.00 -0.00 0.00 0.00 58.31 55.48 3k92 n LYS 215 Cb 0.21 -1.62 -0.05 0.00 0.00 0.00 0.00 35.03 33.57 3k92 n LYS 215 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3k92 n GLY 216 N 1.11 0.68 3.61 3.14 0.00 -0.56 -4.99 105.19 108.19 3k92 n GLY 216 Ca 0.22 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 3k92 n GLY 216 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k92 s ILE 217 N -2.90 4.60 0.18 -0.61 1.01 -0.64 -5.02 121.20 117.83 3k92 s ILE 217 Ca 0.00 -0.10 -0.27 0.00 0.00 0.00 0.00 60.65 60.28 3k92 s ILE 217 Cb 0.00 -3.06 -0.08 0.00 0.01 0.00 0.00 42.46 39.33 3k92 s ILE 217 CO 0.00 0.47 0.84 -0.54 0.00 0.00 0.00 174.94 175.71 3k92 s LYS 218 N 0.33 4.67 0.17 2.79 1.02 -1.26 -3.93 119.74 123.53 3k92 s LYS 218 Ca 0.02 1.28 -0.15 0.00 0.02 0.00 0.00 55.97 57.13 3k92 s LYS 218 Cb -0.13 -3.28 0.12 0.00 -0.52 0.00 0.00 37.83 34.03 3k92 s LYS 218 CO 0.01 0.53 1.70 1.25 -0.92 0.00 0.00 175.35 177.92 3k92 h LEU 219 N 4.38 -0.13 -2.03 3.17 6.46 -1.94 0.36 115.31 125.57 3k92 h LEU 219 Ca -0.46 0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.39 3k92 h LEU 219 Cb 1.20 0.16 0.00 0.00 -0.73 0.00 0.00 40.66 41.29 3k92 h LEU 219 CO 0.67 -0.03 0.23 0.06 -0.62 0.00 0.00 178.44 178.75 3k92 h GLN 220 N 0.13 0.00 -0.02 1.25 3.07 -1.81 -0.40 115.11 117.32 3k92 h GLN 220 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.94 3k92 h GLN 220 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.84 3k92 h GLN 220 CO -0.32 0.00 -0.20 0.09 0.09 0.00 0.00 178.83 178.49 3k92 n ASN 221 N -2.77 2.61 -4.77 0.06 3.02 0.12 -4.33 115.26 109.19 3k92 n ASN 221 Ca -0.02 -1.80 -0.38 0.00 -0.03 0.00 0.00 54.58 52.35 3k92 n ASN 221 Cb 0.28 0.20 -0.03 0.00 -0.61 0.00 0.00 39.78 39.61 3k92 n ASN 221 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3k92 s ALA 222 N -2.20 3.16 -0.13 5.41 0.00 -0.16 -4.89 121.76 122.96 3k92 s ALA 222 Ca 0.24 0.84 0.00 0.00 0.00 0.00 0.00 51.96 53.05 3k92 s ALA 222 Cb 0.19 -3.33 -0.01 0.00 0.00 0.00 0.00 23.12 19.97 3k92 s ALA 222 CO 0.41 -0.35 -0.14 1.03 0.00 0.00 0.00 175.76 176.71 3k92 s ARG 223 N -2.26 3.34 -0.06 0.00 0.52 -1.26 -1.33 118.95 117.90 3k92 s ARG 223 Ca 0.56 -0.71 0.02 0.00 -0.52 0.00 0.00 55.73 55.07 3k92 s ARG 223 Cb -0.27 -2.59 0.02 0.00 0.52 0.00 0.00 34.95 32.62 3k92 s ARG 223 CO 0.34 0.21 -0.10 -1.50 0.02 0.00 0.00 175.30 174.27 3k92 s ILE 224 N 0.36 0.95 -0.22 1.52 2.07 -0.55 -1.56 121.20 123.77 3k92 s ILE 224 Ca -0.12 -0.36 -0.10 0.00 -1.41 0.00 0.00 60.65 58.66 3k92 s ILE 224 Cb -0.16 -0.90 -0.05 0.00 0.13 0.00 0.00 42.46 41.48 3k92 s ILE 224 CO 0.06 0.32 0.13 -0.63 -1.91 0.00 0.00 174.94 172.91 3k92 s ILE 225 N 0.80 5.31 -0.23 2.00 1.01 -0.00 -1.25 121.20 128.85 3k92 s ILE 225 Ca -0.12 0.16 0.02 0.00 0.00 0.00 0.00 60.65 60.71 3k92 s ILE 225 Cb -0.15 -3.45 0.04 0.00 0.01 0.00 0.00 42.46 38.92 3k92 s ILE 225 CO 0.02 0.40 -0.14 -0.63 0.00 0.00 0.00 174.94 174.59 3k92 s ILE 226 N 0.67 2.08 -0.15 2.92 1.01 -0.25 -0.60 121.20 126.87 3k92 s ILE 226 Ca 0.07 -1.34 -0.29 0.00 0.00 0.00 0.00 60.65 59.09 3k92 s ILE 226 Cb -0.12 -2.08 -0.01 0.00 0.01 0.00 0.00 42.46 40.25 3k92 s ILE 226 CO 0.01 0.18 1.20 -1.10 0.00 0.00 0.00 174.94 175.23 3k92 s GLN 227 N 1.19 4.27 0.00 2.79 -0.21 -0.54 -3.14 119.66 124.02 3k92 s GLN 227 Ca -0.03 1.60 0.00 0.00 0.02 0.00 0.00 55.36 56.94 3k92 s GLN 227 Cb -0.17 -3.69 0.00 0.00 1.00 0.00 0.00 33.01 30.14 3k92 s GLN 227 CO -0.08 -0.63 0.00 0.41 -2.12 0.00 0.00 175.29 172.87 3k92 n GLY 228 N 3.49 1.88 0.62 3.09 0.00 -0.20 -4.18 105.19 109.89 3k92 n GLY 228 Ca 0.13 -1.43 0.06 0.00 0.00 0.00 0.00 46.02 44.78 3k92 n GLY 228 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3k92 n PHE 229 N 2.70 0.00 0.00 1.61 7.35 -0.83 -4.10 117.46 124.18 3k92 n PHE 229 Ca 0.00 -1.27 0.00 0.00 -0.76 0.00 0.00 57.45 55.42 3k92 n PHE 229 Cb 0.00 -0.22 0.00 0.00 0.35 0.00 0.00 39.48 39.61 3k92 n PHE 229 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3k92 n GLY 230 N -0.96 -0.96 0.27 7.13 0.00 -1.26 -4.31 105.19 105.11 3k92 n GLY 230 Ca 0.17 -1.44 -0.09 0.00 0.00 0.00 0.00 46.02 44.65 3k92 n GLY 230 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3k92 h ASN 231 N 0.00 0.88 -0.07 1.61 -0.26 -1.96 0.51 115.58 116.28 3k92 h ASN 231 Ca 0.00 -0.32 -0.01 0.00 -0.56 0.00 0.00 56.30 55.41 3k92 h ASN 231 Cb 0.00 -0.24 -0.00 0.00 -1.06 0.00 0.00 38.32 37.02 3k92 h ASN 231 CO 0.00 1.06 0.00 0.00 -1.06 0.00 0.00 177.43 177.43 3k92 h ALA 232 N 1.00 0.10 -0.06 -0.83 0.00 -1.93 -2.68 119.26 114.86 3k92 h ALA 232 Ca 0.10 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3k92 h ALA 232 Cb 0.75 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 3k92 h ALA 232 CO 0.06 -0.22 -0.07 0.78 0.00 0.00 0.00 179.25 179.79 3k92 h GLY 233 N -0.15 0.17 2.00 0.00 0.00 -1.69 -2.46 103.07 100.94 3k92 h GLY 233 Ca 0.02 -0.18 -0.05 0.00 0.00 0.00 0.00 47.33 47.12 3k92 h GLY 233 CO 0.00 0.16 -0.23 1.48 0.00 0.00 0.00 176.54 177.96 3k92 h SER 234 N -0.31 0.00 0.46 0.19 4.64 -1.01 -0.41 113.55 117.11 3k92 h SER 234 Ca 0.01 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.31 3k92 h SER 234 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 3k92 h SER 234 CO 0.02 0.23 -0.22 0.15 -0.87 0.00 0.00 176.83 176.14 3k92 h PHE 235 N 0.00 -0.57 -0.96 4.77 3.04 -1.28 -2.20 116.94 119.73 3k92 h PHE 235 Ca -0.00 -0.01 0.12 0.00 3.98 0.00 0.00 57.97 62.05 3k92 h PHE 235 Cb 0.43 0.19 -0.13 0.00 2.56 0.00 0.00 35.95 39.00 3k92 h PHE 235 CO 0.00 -0.25 -0.50 -0.07 -2.02 0.00 0.00 178.31 175.47 3k92 h LEU 236 N -1.01 -1.83 -0.27 0.59 3.38 -1.30 -0.78 115.31 114.09 3k92 h LEU 236 Ca -0.06 0.32 0.06 0.00 0.09 0.00 0.00 57.88 58.28 3k92 h LEU 236 Cb 0.57 0.86 -0.05 0.00 0.09 0.00 0.00 40.66 42.13 3k92 h LEU 236 CO 0.10 -0.26 -0.09 0.00 0.09 0.00 0.00 178.44 178.28 3k92 h ALA 237 N 0.85 0.15 -0.21 1.53 0.00 -1.08 -0.14 119.26 120.36 3k92 h ALA 237 Ca 0.24 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.27 3k92 h ALA 237 Cb 0.50 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 3k92 h ALA 237 CO -0.94 -0.49 0.09 -0.22 0.00 0.00 0.00 179.25 177.69 3k92 h LYS 238 N -0.03 0.19 -0.72 0.00 3.64 -1.04 -0.33 116.57 118.29 3k92 h LYS 238 Ca 0.13 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.57 3k92 h LYS 238 Cb 0.23 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 31.95 3k92 h LYS 238 CO -0.29 0.13 0.40 0.35 -2.27 0.00 0.00 179.45 177.77 3k92 h PHE 239 N 0.20 0.74 -0.09 1.91 3.57 -0.44 0.17 116.94 123.00 3k92 h PHE 239 Ca 0.09 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.55 3k92 h PHE 239 Cb 0.04 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.56 3k92 h PHE 239 CO -0.11 0.34 -0.21 0.52 -2.23 0.00 0.00 178.31 176.62 3k92 h MET 240 N 0.73 0.29 -0.73 1.11 2.86 -0.72 -0.60 114.93 117.87 3k92 h MET 240 Ca 0.33 -0.20 0.05 0.00 -2.06 0.00 0.00 59.70 57.82 3k92 h MET 240 Cb 0.23 0.03 -0.05 0.00 0.06 0.00 0.00 31.60 31.86 3k92 h MET 240 CO -0.20 0.81 0.43 1.25 1.06 0.00 0.00 176.91 180.26 3k92 h HIS 241 N -0.18 0.80 0.00 -0.22 -0.00 -0.77 -1.57 115.15 113.21 3k92 h HIS 241 Ca -0.00 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.38 3k92 h HIS 241 Cb 0.81 -0.25 -0.00 0.00 -0.00 0.00 0.00 27.41 27.97 3k92 h HIS 241 CO 0.12 0.40 -0.05 -0.44 -0.00 0.00 0.00 177.93 177.96 3k92 h ASP 242 N 0.80 0.00 1.02 3.26 3.32 -0.54 -2.68 116.42 121.60 3k92 h ASP 242 Ca 0.32 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.37 3k92 h ASP 242 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3k92 h ASP 242 CO -0.16 0.05 0.00 0.00 -1.72 0.00 0.00 179.24 177.41 3k92 n ALA 243 N -2.12 2.14 0.00 3.45 0.00 -0.24 -4.91 120.51 118.82 3k92 n ALA 243 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3k92 n ALA 243 Cb 0.42 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.44 3k92 n ALA 243 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k92 n GLY 244 N 1.05 0.58 3.62 0.00 0.00 -1.01 -4.39 105.19 105.04 3k92 n GLY 244 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 3k92 n GLY 244 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k92 s ALA 245 N -2.16 0.68 -0.29 4.61 0.00 -0.69 -4.60 121.76 119.31 3k92 s ALA 245 Ca 0.00 -0.04 -0.09 0.00 0.00 0.00 0.00 51.96 51.83 3k92 s ALA 245 Cb 0.00 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 19.87 3k92 s ALA 245 CO 0.00 -3.05 0.12 0.15 0.00 0.00 0.00 175.76 172.98 3k92 s LYS 246 N -4.72 3.42 -0.60 0.00 1.02 -0.44 -4.31 119.74 114.11 3k92 s LYS 246 Ca 0.66 -0.65 -0.25 0.00 0.02 0.00 0.00 55.97 55.76 3k92 s LYS 246 Cb -0.21 -3.47 0.04 0.00 -0.52 0.00 0.00 37.83 33.67 3k92 s LYS 246 CO 0.60 -0.34 1.01 0.08 -0.92 0.00 0.00 175.35 175.78 3k92 s VAL 247 N 1.60 4.26 -2.21 3.17 1.01 -1.26 -1.49 120.40 125.48 3k92 s VAL 247 Ca 0.05 0.24 0.22 0.00 0.00 0.00 0.00 61.98 62.49 3k92 s VAL 247 Cb -0.16 -4.63 0.04 0.00 0.00 0.00 0.00 36.38 31.62 3k92 s VAL 247 CO 0.05 -1.29 1.10 2.30 0.00 0.00 0.00 175.10 177.26 3k92 n ILE 248 N 6.22 0.00 -3.67 2.22 -5.35 -0.38 -1.30 119.36 117.10 3k92 n ILE 248 Ca 0.02 -0.33 -0.08 0.00 -0.27 0.00 0.00 62.75 62.09 3k92 n ILE 248 Cb 0.47 1.31 -0.09 0.00 -1.74 0.00 0.00 39.64 39.60 3k92 n ILE 248 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3k92 s GLY 249 N -2.27 -0.45 0.36 3.28 0.00 -1.19 -0.58 107.32 106.47 3k92 s GLY 249 Ca 0.20 1.80 0.06 0.00 0.00 0.00 0.00 44.72 46.79 3k92 s GLY 249 CO 0.48 2.26 0.01 -0.26 0.00 0.00 0.00 173.10 175.59 3k92 s ILE 250 N 2.07 1.69 0.07 0.90 -4.36 -0.83 -1.09 121.20 119.64 3k92 s ILE 250 Ca -0.06 -2.03 -0.23 0.00 -0.26 0.00 0.00 60.65 58.06 3k92 s ILE 250 Cb -0.09 -2.83 0.06 0.00 1.25 0.00 0.00 42.46 40.84 3k92 s ILE 250 CO -0.15 -0.05 0.55 -0.94 0.24 0.00 0.00 174.94 174.59 3k92 s SER 251 N -3.59 -0.49 0.13 4.36 1.04 -1.19 -1.56 113.70 112.41 3k92 s SER 251 Ca 0.35 0.18 0.01 0.00 0.48 0.00 0.00 55.95 56.96 3k92 s SER 251 Cb 0.08 0.52 -0.00 0.00 0.10 0.00 0.00 66.02 66.72 3k92 s SER 251 CO 0.16 -0.77 0.03 -0.90 0.98 0.00 0.00 173.24 172.74 3k92 n ASP 252 N 0.25 1.42 -0.34 7.02 5.68 -0.84 -1.03 116.55 128.71 3k92 n ASP 252 Ca -0.18 -1.65 0.16 0.00 -0.50 0.00 0.00 54.79 52.62 3k92 n ASP 252 Cb 0.61 0.25 0.36 0.00 -1.14 0.00 0.00 41.12 41.21 3k92 n ASP 252 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3k92 h ALA 253 N 1.17 1.73 0.00 2.12 0.00 -1.94 -1.82 119.26 120.51 3k92 h ALA 253 Ca -0.10 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3k92 h ALA 253 Cb 0.37 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3k92 h ALA 253 CO 0.17 -0.24 0.00 0.09 0.00 0.00 0.00 179.25 179.27 3k92 n ASN 254 N -4.89 0.22 0.00 0.00 3.02 -1.26 -5.00 115.26 107.35 3k92 n ASN 254 Ca 0.26 0.53 0.00 0.00 -0.03 0.00 0.00 54.58 55.34 3k92 n ASN 254 Cb 0.70 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 39.29 3k92 n ASN 254 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k92 n GLY 255 N 0.87 0.47 3.88 7.41 0.00 -0.69 -4.97 105.19 112.16 3k92 n GLY 255 Ca 0.05 -1.84 -0.36 0.00 0.00 0.00 0.00 46.02 43.87 3k92 n GLY 255 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k92 s GLY 256 N 0.00 2.16 -0.16 -0.02 0.00 0.42 -1.98 107.32 107.74 3k92 s GLY 256 Ca 0.00 -0.67 -0.03 0.00 0.00 0.00 0.00 44.72 44.03 3k92 s GLY 256 CO 0.00 -0.44 -0.07 1.08 0.00 0.00 0.00 173.10 173.68 3k92 s LEU 257 N -1.21 3.01 -0.07 0.66 1.43 -0.60 0.54 118.68 122.45 3k92 s LEU 257 Ca 0.17 -0.24 0.03 0.00 -1.03 0.00 0.00 54.13 53.05 3k92 s LEU 257 Cb -0.12 -1.72 0.01 0.00 0.03 0.00 0.00 46.19 44.39 3k92 s LEU 257 CO 0.07 0.13 -0.14 -0.47 0.23 0.00 0.00 176.35 176.17 3k92 s TYR 258 N 0.60 1.59 -0.24 0.29 5.04 -1.26 -1.97 117.35 121.39 3k92 s TYR 258 Ca -0.04 -0.59 -0.02 0.00 -2.44 0.00 0.00 57.07 53.97 3k92 s TYR 258 Cb -0.15 -1.15 0.12 0.00 0.35 0.00 0.00 41.96 41.14 3k92 s TYR 258 CO 0.03 -0.29 0.32 1.21 -1.34 0.00 0.00 175.55 175.47 3k92 s ASN 259 N 0.60 0.90 0.64 4.32 3.84 0.26 -5.01 114.94 120.49 3k92 s ASN 259 Ca -0.15 -0.17 0.40 0.00 0.21 0.00 0.00 52.86 53.16 3k92 s ASN 259 Cb -0.16 0.76 2.22 0.00 -0.55 0.00 0.00 41.25 43.53 3k92 s ASN 259 CO 0.04 -0.33 2.32 1.55 -2.79 0.00 0.00 177.10 177.90 3k92 h PRO 260 N 8.24 0.00 0.00 0.43 0.13 -1.98 0.19 132.00 139.01 3k92 h PRO 260 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 3k92 h PRO 260 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3k92 h PRO 260 CO 0.29 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.81 3k92 n ASP 261 N -3.28 0.65 0.00 1.44 8.00 -1.26 -4.98 116.55 117.11 3k92 n ASP 261 Ca -0.03 0.56 0.00 0.00 0.71 0.00 0.00 54.79 56.04 3k92 n ASP 261 Cb 0.09 -0.74 0.00 0.00 -0.02 0.00 0.00 41.12 40.45 3k92 n ASP 261 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3k92 n GLY 262 N 1.30 2.89 3.86 0.44 0.00 0.67 -5.02 105.19 109.32 3k92 n GLY 262 Ca 0.06 -1.54 -0.32 0.00 0.00 0.00 0.00 46.02 44.21 3k92 n GLY 262 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k92 s LEU 263 N 0.00 4.09 -1.03 0.99 1.43 -0.42 -4.92 118.68 118.83 3k92 s LEU 263 Ca 0.00 1.14 -0.23 0.00 -1.03 0.00 0.00 54.13 54.01 3k92 s LEU 263 Cb 0.00 -3.93 0.03 0.00 0.03 0.00 0.00 46.19 42.32 3k92 s LEU 263 CO 0.00 -0.16 1.60 -0.62 0.23 0.00 0.00 176.35 177.40 3k92 s ASP 264 N -2.34 6.21 0.10 2.29 -1.08 -1.26 -4.71 116.67 115.88 3k92 s ASP 264 Ca 0.52 -1.41 -0.17 0.00 -0.52 0.00 0.00 52.55 50.97 3k92 s ASP 264 Cb -0.11 -2.57 -0.06 0.00 -1.46 0.00 0.00 42.92 38.72 3k92 s ASP 264 CO 0.19 -1.78 1.52 0.40 0.52 0.00 0.00 175.17 176.03 3k92 h ILE 265 N 6.74 1.27 -0.95 4.11 1.08 -1.94 -1.56 117.51 126.25 3k92 h ILE 265 Ca 0.21 -1.00 0.12 0.00 -0.39 0.00 0.00 64.86 63.81 3k92 h ILE 265 Cb 0.99 1.31 -0.09 0.00 -3.07 0.00 0.00 36.82 35.96 3k92 h ILE 265 CO 1.38 0.32 0.57 -0.65 -0.69 0.00 0.00 178.15 179.09 3k92 h PRO 266 N 0.34 0.86 -0.21 2.37 0.11 -1.98 0.11 132.00 133.60 3k92 h PRO 266 Ca 0.08 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.13 3k92 h PRO 266 Cb 0.47 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 3k92 h PRO 266 CO 0.02 0.57 0.07 -0.92 -0.21 0.00 0.00 178.00 177.53 3k92 h TYR 267 N 0.89 0.33 -0.25 0.65 5.03 -1.92 -2.74 116.97 118.96 3k92 h TYR 267 Ca 0.48 -0.03 -0.08 0.00 2.58 0.00 0.00 58.73 61.68 3k92 h TYR 267 Cb 0.52 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.69 3k92 h TYR 267 CO -0.03 0.39 -0.21 -0.07 -1.32 0.00 0.00 178.16 176.92 3k92 h LEU 268 N 0.17 0.45 -0.97 2.82 3.38 -0.05 -2.33 115.31 118.77 3k92 h LEU 268 Ca 0.07 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 3k92 h LEU 268 Cb 0.21 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3k92 h LEU 268 CO -0.00 0.67 0.30 -0.07 0.09 0.00 0.00 178.44 179.43 3k92 h LEU 269 N 0.41 0.96 -0.24 1.67 4.07 -0.87 -1.09 115.31 120.22 3k92 h LEU 269 Ca 0.07 -0.13 -0.06 0.00 0.08 0.00 0.00 57.88 57.84 3k92 h LEU 269 Cb 0.60 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 42.08 3k92 h LEU 269 CO 0.04 0.84 -0.28 0.44 -1.08 0.00 0.00 178.44 178.40 3k92 h ASP 270 N 1.03 0.00 0.00 -0.43 5.19 -1.13 -3.31 116.42 117.76 3k92 h ASP 270 Ca 0.24 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.65 3k92 h ASP 270 Cb 0.17 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.68 3k92 h ASP 270 CO -0.02 0.28 -1.03 0.29 -3.12 0.00 0.00 179.24 175.64 3k92 n LYS 271 N -3.21 0.65 -1.91 3.56 5.02 -0.92 -4.92 118.16 116.44 3k92 n LYS 271 Ca 0.02 -0.02 -0.39 0.00 -2.02 0.00 0.00 58.31 55.90 3k92 n LYS 271 Cb 0.61 -1.41 0.01 0.00 -0.02 0.00 0.00 35.03 34.21 3k92 n LYS 271 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 3k92 s ARG 272 N -2.88 3.74 0.83 1.97 1.70 -0.42 -4.81 118.95 119.08 3k92 s ARG 272 Ca 0.05 2.27 -0.06 0.00 -0.47 0.00 0.00 55.73 57.53 3k92 s ARG 272 Cb 0.14 -2.64 0.18 0.00 -0.57 0.00 0.00 34.95 32.05 3k92 s ARG 272 CO 0.79 -0.72 1.13 -0.40 -1.08 0.00 0.00 175.30 175.03 3k92 n ASP 273 N -0.17 0.92 0.00 -2.89 3.85 0.13 -4.88 116.55 113.52 3k92 n ASP 273 Ca 0.05 -1.92 0.06 0.00 -0.71 0.00 0.00 54.79 52.27 3k92 n ASP 273 Cb 0.43 -0.79 0.30 0.00 -1.35 0.00 0.00 41.12 39.71 3k92 n ASP 273 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 3k92 n SER 274 N -3.25 0.00 -0.90 -1.12 3.41 -1.26 -1.54 113.62 108.96 3k92 n SER 274 Ca 0.17 0.08 0.07 0.00 -0.26 0.00 0.00 58.87 58.93 3k92 n SER 274 Cb 0.59 -0.26 0.23 0.00 -0.26 0.00 0.00 64.21 64.51 3k92 n SER 274 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3k92 n PHE 275 N -1.26 0.83 -2.23 7.33 3.72 -1.26 -4.97 117.46 119.62 3k92 n PHE 275 Ca 0.06 -0.67 -0.14 0.00 -0.05 0.00 0.00 57.45 56.64 3k92 n PHE 275 Cb 0.09 -0.18 -0.01 0.00 -0.94 0.00 0.00 39.48 38.44 3k92 n PHE 275 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3k92 n GLY 276 N 0.20 -0.14 3.74 1.37 0.00 -0.59 -4.83 105.19 104.94 3k92 n GLY 276 Ca 0.18 -0.28 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 3k92 n GLY 276 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3k92 s MET 277 N -4.65 2.86 -0.01 1.61 -1.94 -1.25 -4.31 119.30 111.61 3k92 s MET 277 Ca 0.00 -0.63 -0.12 0.00 -1.71 0.00 0.00 55.69 53.23 3k92 s MET 277 Cb 0.00 -2.72 0.04 0.00 2.01 0.00 0.00 34.83 34.16 3k92 s MET 277 CO 0.00 0.60 0.53 1.55 -0.01 0.00 0.00 175.02 177.69 3k92 n VAL 278 N 0.90 0.00 0.00 -6.03 3.14 -1.26 0.20 118.33 115.29 3k92 n VAL 278 Ca -0.12 -0.05 0.00 0.00 -2.96 0.00 0.00 64.34 61.21 3k92 n VAL 278 Cb 0.52 0.23 0.00 0.00 -1.06 0.00 0.00 33.84 33.53 3k92 n VAL 278 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 3k92 n THR 279 N -0.38 0.00 0.84 1.55 -2.24 -1.26 -4.58 114.28 108.21 3k92 n THR 279 Ca 0.02 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.92 3k92 n THR 279 Cb 0.24 0.00 0.53 0.00 -2.10 0.00 0.00 70.33 68.99 3k92 n THR 279 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3k92 n ASN 280 N 1.60 0.04 -0.03 3.42 4.13 -1.26 -2.38 115.26 120.77 3k92 n ASN 280 Ca 0.00 0.51 0.10 0.00 1.68 0.00 0.00 54.58 56.87 3k92 n ASN 280 Cb 0.00 -0.52 0.61 0.00 -1.54 0.00 0.00 39.78 38.33 3k92 n ASN 280 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3k92 n LEU 281 N -1.54 0.10 -4.00 3.41 4.77 -1.26 -4.91 117.00 113.57 3k92 n LEU 281 Ca 0.06 -0.04 -0.17 0.00 -0.03 0.00 0.00 56.01 55.83 3k92 n LEU 281 Cb 0.30 -0.01 -0.14 0.00 -2.33 0.00 0.00 43.42 41.24 3k92 n LEU 281 CO 0.23 0.02 -0.42 -0.36 -1.33 0.00 0.00 177.39 175.53 3k92 s PHE 282 N -1.99 0.68 -2.38 -1.77 0.08 -1.00 -5.05 117.98 106.54 3k92 s PHE 282 Ca 0.31 -0.15 0.26 0.00 0.12 0.00 0.00 56.93 57.48 3k92 s PHE 282 Cb 0.15 -0.43 0.65 0.00 -0.57 0.00 0.00 43.02 42.81 3k92 s PHE 282 CO 0.24 -0.01 1.51 0.25 -0.10 0.00 0.00 175.22 177.11 3k92 n THR 283 N 2.81 0.00 -1.36 0.64 -2.24 -1.26 -4.36 114.28 108.50 3k92 n THR 283 Ca -0.14 -0.28 -0.14 0.00 -2.27 0.00 0.00 64.05 61.22 3k92 n THR 283 Cb 0.57 0.80 0.19 0.00 -2.10 0.00 0.00 70.33 69.79 3k92 n THR 283 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3k92 n ASP 284 N 0.23 3.17 -4.79 3.42 5.75 -1.26 -5.03 116.55 118.04 3k92 n ASP 284 Ca 0.15 -3.71 -0.36 0.00 -0.01 0.00 0.00 54.79 50.85 3k92 n ASP 284 Cb 0.42 -0.73 -0.05 0.00 -1.03 0.00 0.00 41.12 39.73 3k92 n ASP 284 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3k92 s VAL 285 N -3.33 3.99 0.49 2.12 1.01 -1.26 -4.80 120.40 118.63 3k92 s VAL 285 Ca 0.51 1.51 0.04 0.00 0.00 0.00 0.00 61.98 64.04 3k92 s VAL 285 Cb 0.44 -3.77 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 3k92 s VAL 285 CO 0.05 -0.01 0.11 0.27 0.00 0.00 0.00 175.10 175.52 3k92 s ILE 286 N -1.73 1.52 0.48 2.22 -4.36 0.19 -4.91 121.20 114.59 3k92 s ILE 286 Ca 0.56 -1.85 -0.15 0.00 -0.26 0.00 0.00 60.65 58.95 3k92 s ILE 286 Cb -0.19 -2.37 -0.08 0.00 1.25 0.00 0.00 42.46 41.08 3k92 s ILE 286 CO 0.24 0.00 0.92 0.42 0.24 0.00 0.00 174.94 176.76 3k92 s THR 287 N -2.80 4.59 0.33 8.37 -4.23 -1.26 0.16 115.64 120.80 3k92 s THR 287 Ca 0.20 1.08 0.06 0.00 -1.18 0.00 0.00 61.69 61.85 3k92 s THR 287 Cb 0.02 -3.71 0.31 0.00 1.34 0.00 0.00 72.50 70.46 3k92 s THR 287 CO 0.11 -0.61 1.86 0.78 -0.54 0.00 0.00 174.62 176.22 3k92 h ASN 288 N 1.11 0.76 0.08 3.99 4.21 -1.91 -1.46 115.58 122.37 3k92 h ASN 288 Ca -0.47 0.04 -0.14 0.00 1.21 0.00 0.00 56.30 56.95 3k92 h ASN 288 Cb 1.18 -0.11 -0.01 0.00 -1.12 0.00 0.00 38.32 38.27 3k92 h ASN 288 CO 0.62 0.40 -0.47 -0.33 -1.29 0.00 0.00 177.43 176.36 3k92 h GLU 289 N 0.81 0.46 -0.37 0.81 3.07 -1.99 -2.92 114.58 114.45 3k92 h GLU 289 Ca 0.46 -0.26 -0.08 0.00 -0.50 0.00 0.00 59.36 58.99 3k92 h GLU 289 Cb 0.62 0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.53 3k92 h GLU 289 CO -0.23 0.84 -0.07 0.93 -1.40 0.00 0.00 179.01 179.08 3k92 h GLU 290 N 0.37 0.71 -0.95 2.33 5.08 -1.83 -3.31 114.58 116.98 3k92 h GLU 290 Ca 0.02 -0.26 0.12 0.00 -1.00 0.00 0.00 59.36 58.24 3k92 h GLU 290 Cb 0.97 -0.05 -0.08 0.00 0.50 0.00 0.00 28.75 30.09 3k92 h GLU 290 CO 0.08 0.85 0.58 1.25 -1.00 0.00 0.00 179.01 180.77 3k92 h LEU 291 N 0.51 0.83 -2.06 1.33 5.85 -1.16 -2.18 115.31 118.43 3k92 h LEU 291 Ca 0.10 0.05 0.09 0.00 0.84 0.00 0.00 57.88 58.96 3k92 h LEU 291 Cb 0.57 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 3k92 h LEU 291 CO 0.03 0.44 0.26 -0.07 -0.34 0.00 0.00 178.44 178.76 3k92 h LEU 292 N 0.91 0.00 0.00 2.25 3.38 -1.60 -2.66 115.31 117.59 3k92 h LEU 292 Ca 0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.44 3k92 h LEU 292 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 3k92 h LEU 292 CO -0.27 0.00 -0.93 -0.62 0.09 0.00 0.00 178.44 176.70 3k92 n GLU 293 N -4.21 0.06 -1.80 1.13 1.02 -0.82 -4.47 120.64 111.54 3k92 n GLU 293 Ca 0.05 -0.01 -0.38 0.00 -0.02 0.00 0.00 57.16 56.80 3k92 n GLU 293 Cb 0.43 -1.51 0.05 0.00 -0.02 0.00 0.00 31.44 30.38 3k92 n GLU 293 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3k92 s LYS 294 N -3.04 3.02 0.50 3.49 3.01 -1.01 -4.40 119.74 121.32 3k92 s LYS 294 Ca 0.08 2.17 -0.21 0.00 -1.01 0.00 0.00 55.97 57.00 3k92 s LYS 294 Cb 0.16 -2.15 -0.07 0.00 -1.01 0.00 0.00 37.83 34.76 3k92 s LYS 294 CO 0.83 -1.27 1.10 0.34 0.51 0.00 0.00 175.35 176.87 3k92 s ASP 295 N -1.09 6.03 0.00 2.83 -1.08 -1.26 -4.52 116.67 117.58 3k92 s ASP 295 Ca 0.74 2.12 0.00 0.00 -0.52 0.00 0.00 52.55 54.89 3k92 s ASP 295 Cb -0.39 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.49 3k92 s ASP 295 CO 0.45 -1.00 0.00 0.00 0.52 0.00 0.00 175.17 175.14 3k92 h ASP 297 N 0.00 0.13 -3.29 0.00 3.32 -1.59 -3.30 116.42 111.70 3k92 h ASP 297 Ca 0.00 -0.69 -0.62 0.00 0.02 0.00 0.00 57.03 55.74 3k92 h ASP 297 Cb 0.00 -0.04 -0.34 0.00 0.22 0.00 0.00 39.33 39.17 3k92 h ASP 297 CO 0.00 1.50 -0.85 -0.63 -1.72 0.00 0.00 179.24 177.54 3k92 s ILE 298 N -2.39 1.71 -0.19 0.35 1.01 -0.64 -0.53 121.20 120.51 3k92 s ILE 298 Ca -0.25 -0.78 -0.04 0.00 0.00 0.00 0.00 60.65 59.58 3k92 s ILE 298 Cb 0.05 -1.52 -0.02 0.00 0.01 0.00 0.00 42.46 40.98 3k92 s ILE 298 CO 0.66 0.48 -0.04 -0.22 0.00 0.00 0.00 174.94 175.82 3k92 s LEU 299 N 0.76 3.02 -0.48 2.97 0.20 0.11 -0.82 118.68 124.45 3k92 s LEU 299 Ca -0.10 -0.28 0.00 0.00 0.69 0.00 0.00 54.13 54.44 3k92 s LEU 299 Cb -0.16 -1.75 0.13 0.00 -0.43 0.00 0.00 46.19 43.98 3k92 s LEU 299 CO 0.01 0.07 0.25 -0.69 -0.29 0.00 0.00 176.35 175.70 3k92 s VAL 300 N 0.97 3.01 0.95 1.68 1.01 0.23 -1.19 120.40 127.05 3k92 s VAL 300 Ca 0.00 -2.67 -0.11 0.00 0.00 0.00 0.00 61.98 59.20 3k92 s VAL 300 Cb -0.15 -3.06 0.16 0.00 0.00 0.00 0.00 36.38 33.33 3k92 s VAL 300 CO 0.01 -0.75 1.09 -2.84 0.00 0.00 0.00 175.10 172.61 3k92 s PRO 301 N 0.42 0.83 0.54 2.72 0.02 -1.25 -1.47 135.00 136.82 3k92 s PRO 301 Ca 0.13 0.94 -0.20 0.00 0.02 0.00 0.00 61.00 61.90 3k92 s PRO 301 Cb -0.22 -1.75 -0.06 0.00 0.02 0.00 0.00 34.50 32.49 3k92 s PRO 301 CO -0.04 -2.57 1.13 0.00 -0.33 0.00 0.00 177.00 175.20 3k92 s ALA 302 N -2.80 2.70 -1.34 -1.55 0.00 -1.26 -4.47 121.76 113.04 3k92 s ALA 302 Ca 0.65 0.84 -0.12 0.00 0.00 0.00 0.00 51.96 53.32 3k92 s ALA 302 Cb -0.20 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.51 3k92 s ALA 302 CO 0.58 -0.78 2.44 0.00 0.00 0.00 0.00 175.76 178.00 3k92 n ALA 303 N -1.28 5.86 -3.25 0.00 0.00 -1.26 -4.75 120.51 115.83 3k92 n ALA 303 Ca 0.12 -3.37 -0.16 0.00 0.00 0.00 0.00 53.44 50.03 3k92 n ALA 303 Cb 0.51 -3.41 -0.15 0.00 0.00 0.00 0.00 19.45 16.40 3k92 n ALA 303 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3k92 s ILE 304 N 3.10 0.24 0.55 0.00 1.01 -1.26 -4.83 121.20 120.01 3k92 s ILE 304 Ca 0.56 -0.04 -0.18 0.00 0.00 0.00 0.00 60.65 60.99 3k92 s ILE 304 Cb 0.15 -0.27 -0.06 0.00 0.01 0.00 0.00 42.46 42.30 3k92 s ILE 304 CO -0.04 0.11 1.06 -0.44 0.00 0.00 0.00 174.94 175.64 3k92 s SER 305 N 0.46 5.93 -1.35 3.58 0.01 -1.25 -4.06 113.70 117.02 3k92 s SER 305 Ca -0.05 1.93 -0.00 0.00 1.31 0.00 0.00 55.95 59.14 3k92 s SER 305 Cb -0.08 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.61 3k92 s SER 305 CO -0.01 -1.06 0.59 0.59 0.41 0.00 0.00 173.24 173.76 3k92 n ASN 306 N -1.55 -0.87 0.09 2.44 3.02 -1.14 -4.91 115.26 112.34 3k92 n ASN 306 Ca 0.09 -0.89 -0.18 0.00 -0.03 0.00 0.00 54.58 53.57 3k92 n ASN 306 Cb 0.52 -3.65 -0.11 0.00 -0.61 0.00 0.00 39.78 35.94 3k92 n ASN 306 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 3k92 h GLN 307 N -1.86 0.49 -3.99 3.52 1.08 -1.25 -3.41 115.11 109.69 3k92 h GLN 307 Ca -0.62 -0.65 -0.70 0.00 -1.45 0.00 0.00 58.65 55.24 3k92 h GLN 307 Cb 1.37 0.21 -0.34 0.00 -0.05 0.00 0.00 27.48 28.66 3k92 h GLN 307 CO 0.59 1.27 -0.43 0.42 -0.95 0.00 0.00 178.83 179.73 3k92 s ILE 308 N -3.00 3.63 0.06 2.54 1.01 -0.95 -4.98 121.20 119.52 3k92 s ILE 308 Ca -0.07 -2.51 0.00 0.00 0.00 0.00 0.00 60.65 58.07 3k92 s ILE 308 Cb 0.07 -3.41 0.01 0.00 0.01 0.00 0.00 42.46 39.14 3k92 s ILE 308 CO 0.90 -0.80 0.09 0.35 0.00 0.00 0.00 174.94 175.48 3k92 n THR 309 N 4.03 0.00 0.17 2.92 -2.24 -1.26 -1.61 114.28 116.29 3k92 n THR 309 Ca 0.03 -0.16 0.03 0.00 -2.27 0.00 0.00 64.05 61.69 3k92 n THR 309 Cb 0.40 -1.19 0.29 0.00 -2.10 0.00 0.00 70.33 67.73 3k92 n THR 309 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k92 h ALA 310 N -0.10 1.02 0.00 6.98 0.00 -1.94 -2.87 119.26 122.35 3k92 h ALA 310 Ca -0.03 -0.40 -0.08 0.00 0.00 0.00 0.00 54.91 54.40 3k92 h ALA 310 Cb 0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3k92 h ALA 310 CO 0.03 0.55 -0.40 0.87 0.00 0.00 0.00 179.25 180.31 3k92 h LYS 311 N 0.00 0.00 -0.01 0.00 1.57 -1.99 -3.29 116.57 112.84 3k92 h LYS 311 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3k92 h LYS 311 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.24 3k92 h LYS 311 CO 0.06 0.40 -0.03 0.27 -0.57 0.00 0.00 179.45 179.58 3k92 n ASN 312 N -3.85 1.36 0.19 0.86 2.04 -1.23 -4.80 115.26 109.82 3k92 n ASN 312 Ca -0.01 -1.18 0.03 0.00 -0.44 0.00 0.00 54.58 52.98 3k92 n ASN 312 Cb 0.46 0.12 0.37 0.00 -2.53 0.00 0.00 39.78 38.20 3k92 n ASN 312 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3k92 h ALA 313 N 1.14 1.30 0.00 -2.53 0.00 -1.58 -2.05 119.26 115.54 3k92 h ALA 313 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3k92 h ALA 313 Cb 0.24 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3k92 h ALA 313 CO 0.00 0.46 0.00 0.45 0.00 0.00 0.00 179.25 180.16 3k92 h HIS 314 N 0.00 0.00 -0.01 0.00 3.86 -1.87 -3.19 115.15 113.94 3k92 h HIS 314 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3k92 h HIS 314 Cb 0.69 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.16 3k92 h HIS 314 CO 0.00 0.00 -0.00 0.09 0.86 0.00 0.00 177.93 178.88 3k92 n ASN 315 N -2.88 1.24 -4.72 2.45 5.03 -0.77 -4.87 115.26 110.74 3k92 n ASN 315 Ca 0.02 -1.40 -0.42 0.00 0.87 0.00 0.00 54.58 53.65 3k92 n ASN 315 Cb 0.37 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 39.10 3k92 n ASN 315 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3k92 s ILE 316 N -2.01 3.85 -0.80 2.41 1.09 -1.21 -4.49 121.20 120.05 3k92 s ILE 316 Ca 0.39 1.38 0.12 0.00 -1.10 0.00 0.00 60.65 61.45 3k92 s ILE 316 Cb 0.21 -3.88 -0.08 0.00 -1.06 0.00 0.00 42.46 37.65 3k92 s ILE 316 CO 0.34 0.14 0.59 0.00 -0.10 0.00 0.00 174.94 175.91 3k92 n GLN 317 N 3.58 2.62 -1.82 2.79 6.02 -1.26 -4.96 117.38 124.35 3k92 n GLN 317 Ca 0.08 -0.28 -0.41 0.00 -0.01 0.00 0.00 57.00 56.38 3k92 n GLN 317 Cb 0.46 -1.10 -0.00 0.00 1.02 0.00 0.00 30.24 30.61 3k92 n GLN 317 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3k92 s ALA 318 N -1.90 3.60 -0.93 -1.58 0.00 -1.24 -4.40 121.76 115.31 3k92 s ALA 318 Ca 0.07 1.56 0.25 0.00 0.00 0.00 0.00 51.96 53.84 3k92 s ALA 318 Cb 0.09 -3.61 0.52 0.00 0.00 0.00 0.00 23.12 20.13 3k92 s ALA 318 CO 0.42 -1.02 1.43 -1.13 0.00 0.00 0.00 175.76 175.45 3k92 n SER 319 N 0.77 0.50 -3.81 0.00 3.41 -0.51 -4.80 113.62 109.18 3k92 n SER 319 Ca 0.02 -0.14 -0.25 0.00 -0.26 0.00 0.00 58.87 58.25 3k92 n SER 319 Cb 0.39 0.19 -0.17 0.00 -0.26 0.00 0.00 64.21 64.36 3k92 n SER 319 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3k92 s ILE 320 N -3.03 0.60 -0.25 -1.33 1.01 0.30 -1.04 121.20 117.47 3k92 s ILE 320 Ca 0.10 -0.07 -0.05 0.00 0.00 0.00 0.00 60.65 60.63 3k92 s ILE 320 Cb 0.17 -0.74 -0.00 0.00 0.01 0.00 0.00 42.46 41.89 3k92 s ILE 320 CO 0.69 0.26 0.01 -0.69 0.00 0.00 0.00 174.94 175.21 3k92 s VAL 321 N 1.88 3.66 -0.32 2.92 1.01 -0.37 0.07 120.40 129.24 3k92 s VAL 321 Ca 0.04 -0.54 -0.07 0.00 0.00 0.00 0.00 61.98 61.42 3k92 s VAL 321 Cb -0.13 -2.76 0.02 0.00 0.00 0.00 0.00 36.38 33.51 3k92 s VAL 321 CO -0.06 0.29 0.11 -0.69 0.00 0.00 0.00 175.10 174.75 3k92 s VAL 322 N 1.50 4.01 -0.12 2.92 1.01 -0.33 -0.78 120.40 128.61 3k92 s VAL 322 Ca 0.04 -0.83 -0.29 0.00 0.00 0.00 0.00 61.98 60.90 3k92 s VAL 322 Cb -0.15 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.05 3k92 s VAL 322 CO -0.01 -0.04 1.35 -1.61 0.00 0.00 0.00 175.10 174.80 3k92 s GLU 323 N 1.48 4.24 -0.03 2.72 2.02 -0.63 -3.87 118.70 124.63 3k92 s GLU 323 Ca 0.01 1.80 -0.10 0.00 0.02 0.00 0.00 54.97 56.70 3k92 s GLU 323 Cb -0.18 -3.77 -0.05 0.00 0.10 0.00 0.00 34.13 30.22 3k92 s GLU 323 CO 0.03 -0.70 0.51 0.00 0.02 0.00 0.00 175.26 175.13 3k92 h ARG 324 N 8.37 -0.33 -3.78 1.61 3.08 -1.89 -3.33 114.38 118.10 3k92 h ARG 324 Ca -0.31 0.02 -0.17 0.00 0.07 0.00 0.00 59.98 59.60 3k92 h ARG 324 Cb 1.13 0.08 -0.07 0.00 0.08 0.00 0.00 29.97 31.19 3k92 h ARG 324 CO 0.95 -0.22 -0.08 0.00 -1.07 0.00 0.00 179.97 179.55 3k92 s ALA 325 N -3.56 0.21 -1.62 0.04 0.00 -1.26 -4.33 121.76 111.23 3k92 s ALA 325 Ca -0.05 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 50.71 3k92 s ALA 325 Cb 0.01 1.04 0.00 0.00 0.00 0.00 0.00 23.12 24.17 3k92 s ALA 325 CO 0.15 -0.85 0.00 -1.71 0.00 0.00 0.00 175.76 173.36 3k92 n ASN 326 N -1.14 -5.05 -3.71 0.00 2.85 -1.26 -4.09 115.26 102.86 3k92 n ASN 326 Ca -0.02 0.18 -0.32 0.00 -0.11 0.00 0.00 54.58 54.32 3k92 n ASN 326 Cb 0.61 -4.11 0.04 0.00 1.24 0.00 0.00 39.78 37.57 3k92 n ASN 326 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3k92 n GLY 327 N -0.95 -0.96 0.03 8.20 0.00 -1.26 -3.82 105.19 106.43 3k92 n GLY 327 Ca -0.19 0.44 0.13 0.00 0.00 0.00 0.00 46.02 46.40 3k92 n GLY 327 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3k92 n PRO 328 N -4.23 0.08 -4.40 1.61 -0.04 -1.26 -3.26 135.00 123.50 3k92 n PRO 328 Ca -0.10 0.08 -0.28 0.00 -0.04 0.00 0.00 63.50 63.16 3k92 n PRO 328 Cb 0.59 -1.59 -0.17 0.00 -0.04 0.00 0.00 33.50 32.29 3k92 n PRO 328 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 3k92 s THR 329 N -3.03 1.41 0.90 0.52 -1.32 -1.26 -1.09 115.64 111.77 3k92 s THR 329 Ca 0.13 -0.59 -0.11 0.00 -1.21 0.00 0.00 61.69 59.91 3k92 s THR 329 Cb 0.17 -1.30 0.13 0.00 -1.51 0.00 0.00 72.50 69.99 3k92 s THR 329 CO 0.54 0.42 1.09 0.42 -2.21 0.00 0.00 174.62 174.89 3k92 s THR 330 N 1.03 2.63 0.39 5.08 -4.23 -0.63 -4.74 115.64 115.16 3k92 s THR 330 Ca -0.06 0.20 0.09 0.00 -1.18 0.00 0.00 61.69 60.75 3k92 s THR 330 Cb -0.15 -2.57 0.31 0.00 1.34 0.00 0.00 72.50 71.44 3k92 s THR 330 CO -0.02 -0.27 1.95 0.40 -0.54 0.00 0.00 174.62 176.15 3k92 h ILE 331 N -1.63 0.94 0.23 2.99 2.04 -1.99 -0.81 117.51 119.29 3k92 h ILE 331 Ca -0.49 -0.21 -0.34 0.00 1.00 0.00 0.00 64.86 64.82 3k92 h ILE 331 Cb 1.28 0.28 0.03 0.00 -0.74 0.00 0.00 36.82 37.66 3k92 h ILE 331 CO 0.51 0.11 -1.57 0.44 0.00 0.00 0.00 178.15 177.65 3k92 h ASP 332 N 0.61 0.77 -0.94 1.72 3.32 -1.95 -3.07 116.42 116.88 3k92 h ASP 332 Ca 0.32 -0.91 0.11 0.00 0.02 0.00 0.00 57.03 56.57 3k92 h ASP 332 Cb 0.44 -0.25 -0.07 0.00 0.22 0.00 0.00 39.33 39.67 3k92 h ASP 332 CO -0.11 1.73 0.60 0.00 -1.72 0.00 0.00 179.24 179.74 3k92 h ALA 333 N 0.15 1.61 0.00 3.45 0.00 -1.69 -1.76 119.26 121.03 3k92 h ALA 333 Ca -0.28 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.50 3k92 h ALA 333 Cb 2.15 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.72 3k92 h ALA 333 CO 0.25 0.17 -0.66 0.00 0.00 0.00 0.00 179.25 179.01 3k92 h THR 334 N 0.91 1.22 -0.19 0.00 1.03 -1.12 -0.70 112.91 114.06 3k92 h THR 334 Ca 0.45 -2.47 -0.09 0.00 -0.01 0.00 0.00 66.41 64.30 3k92 h THR 334 Cb 0.48 2.43 -0.00 0.00 -1.07 0.00 0.00 68.15 69.99 3k92 h THR 334 CO -0.22 0.64 -0.22 0.11 -0.01 0.00 0.00 175.52 175.82 3k92 h LYS 335 N 0.00 0.49 -0.51 0.00 1.79 -1.39 -1.72 116.57 115.22 3k92 h LYS 335 Ca -0.01 -0.27 0.10 0.00 -2.18 0.00 0.00 60.65 58.30 3k92 h LYS 335 Cb 1.38 0.02 -0.09 0.00 -1.58 0.00 0.00 32.23 31.95 3k92 h LYS 335 CO 0.09 0.85 -0.07 0.82 -1.08 0.00 0.00 179.45 180.06 3k92 h ILE 336 N 0.15 0.53 -0.68 1.86 2.04 -1.08 0.86 117.51 121.20 3k92 h ILE 336 Ca 0.03 -0.02 -0.07 0.00 1.00 0.00 0.00 64.86 65.79 3k92 h ILE 336 Cb 0.78 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 3k92 h ILE 336 CO 0.05 0.01 0.13 -0.07 0.00 0.00 0.00 178.15 178.27 3k92 h LEU 337 N 0.05 1.05 -0.74 1.44 3.38 -1.09 -1.66 115.31 117.73 3k92 h LEU 337 Ca 0.25 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3k92 h LEU 337 Cb 0.39 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3k92 h LEU 337 CO -0.49 1.03 0.33 -1.13 0.09 0.00 0.00 178.44 178.27 3k92 h ASN 338 N 1.03 0.99 -0.58 -0.43 -0.00 -0.76 -1.16 115.58 114.67 3k92 h ASN 338 Ca 0.21 -0.15 -0.00 0.00 -0.00 0.00 0.00 56.30 56.35 3k92 h ASN 338 Cb 0.41 -0.26 -0.03 0.00 -0.00 0.00 0.00 38.32 38.45 3k92 h ASN 338 CO 0.01 0.87 0.35 -0.33 -0.00 0.00 0.00 177.43 178.32 3k92 h GLU 339 N 1.05 0.79 -0.00 6.67 5.08 -0.32 -1.83 114.58 126.02 3k92 h GLU 339 Ca 0.25 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3k92 h GLU 339 Cb 0.16 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.24 3k92 h GLU 339 CO -0.03 0.58 0.00 0.54 -1.00 0.00 0.00 179.01 179.10 3k92 n ARG 340 N -4.63 0.81 -1.18 2.33 1.74 -0.67 -4.87 116.66 110.19 3k92 n ARG 340 Ca 0.04 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.06 3k92 n ARG 340 Cb 0.06 -1.00 -0.03 0.00 -1.02 0.00 0.00 32.46 30.47 3k92 n ARG 340 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k92 n GLY 341 N 0.31 0.74 3.71 -0.13 0.00 -0.69 -4.99 105.19 104.14 3k92 n GLY 341 Ca 0.00 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 3k92 n GLY 341 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k92 s VAL 342 N -1.85 3.01 -0.62 1.61 1.01 -0.46 -4.98 120.40 118.12 3k92 s VAL 342 Ca 0.00 0.69 -0.27 0.00 0.00 0.00 0.00 61.98 62.39 3k92 s VAL 342 Cb 0.00 -3.44 0.02 0.00 0.00 0.00 0.00 36.38 32.95 3k92 s VAL 342 CO 0.00 0.05 1.41 -0.22 0.00 0.00 0.00 175.10 176.33 3k92 s LEU 343 N 1.34 3.32 -0.34 3.92 2.96 -0.20 -4.37 118.68 125.31 3k92 s LEU 343 Ca 0.68 0.06 -0.22 0.00 -0.22 0.00 0.00 54.13 54.42 3k92 s LEU 343 Cb -0.40 -2.85 0.00 0.00 0.50 0.00 0.00 46.19 43.44 3k92 s LEU 343 CO 0.31 -1.81 0.74 -0.22 -1.32 0.00 0.00 176.35 174.05 3k92 s LEU 344 N 6.24 4.14 -0.42 -0.68 1.98 -1.26 -1.24 118.68 127.43 3k92 s LEU 344 Ca 0.48 0.43 -0.18 0.00 -2.89 0.00 0.00 54.13 51.97 3k92 s LEU 344 Cb -0.10 -2.97 0.02 0.00 0.66 0.00 0.00 46.19 43.80 3k92 s LEU 344 CO 0.22 -0.64 0.50 -0.69 -1.89 0.00 0.00 176.35 173.84 3k92 s VAL 345 N 2.93 5.01 0.41 1.68 1.01 0.04 -4.42 120.40 127.06 3k92 s VAL 345 Ca 0.30 -0.20 -0.24 0.00 0.00 0.00 0.00 61.98 61.84 3k92 s VAL 345 Cb -0.14 -4.08 -0.09 0.00 0.00 0.00 0.00 36.38 32.07 3k92 s VAL 345 CO 0.15 -0.46 1.07 -2.16 0.00 0.00 0.00 175.10 173.69 3k92 s PRO 346 N 2.34 4.11 0.32 2.72 0.04 -1.26 -1.60 135.00 141.66 3k92 s PRO 346 Ca 0.15 1.55 0.09 0.00 0.04 0.00 0.00 61.00 62.83 3k92 s PRO 346 Cb -0.16 -2.52 0.86 0.00 0.04 0.00 0.00 34.50 32.72 3k92 s PRO 346 CO 0.15 -0.20 1.74 0.22 0.04 0.00 0.00 177.00 178.95 3k92 h ASP 347 N 2.43 0.69 0.13 6.66 3.58 -1.89 -0.96 116.42 127.07 3k92 h ASP 347 Ca -0.48 0.13 -0.03 0.00 0.42 0.00 0.00 57.03 57.07 3k92 h ASP 347 Cb 1.22 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 42.28 3k92 h ASP 347 CO 0.62 0.14 -0.12 -0.29 -2.88 0.00 0.00 179.24 176.71 3k92 h ILE 348 N 0.62 1.05 0.00 2.25 2.10 -1.91 0.69 117.51 122.30 3k92 h ILE 348 Ca 0.63 -0.43 -0.02 0.00 1.08 0.00 0.00 64.86 66.13 3k92 h ILE 348 Cb 1.16 1.23 -0.00 0.00 -1.09 0.00 0.00 36.82 38.12 3k92 h ILE 348 CO -0.45 0.12 -0.12 0.25 -1.08 0.00 0.00 178.15 176.87 3k92 h LEU 349 N 0.00 0.00 -2.08 2.19 5.85 -1.59 -3.36 115.31 116.31 3k92 h LEU 349 Ca -0.00 -0.49 0.02 0.00 0.84 0.00 0.00 57.88 58.25 3k92 h LEU 349 Cb 0.22 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 3k92 h LEU 349 CO 0.02 0.81 0.06 0.00 -0.34 0.00 0.00 178.44 178.99 3k92 h ALA 350 N -0.51 1.98 -0.61 1.25 0.00 -0.88 -2.08 119.26 118.41 3k92 h ALA 350 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3k92 h ALA 350 Cb 0.58 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3k92 h ALA 350 CO -0.02 -0.10 0.00 -1.13 0.00 0.00 0.00 179.25 178.01 3k92 n SER 351 N -4.38 3.47 0.11 0.00 3.41 0.20 -2.86 113.62 113.57 3k92 n SER 351 Ca -0.01 -1.99 0.11 0.00 -0.26 0.00 0.00 58.87 56.72 3k92 n SER 351 Cb 0.17 -0.41 0.46 0.00 -0.26 0.00 0.00 64.21 64.17 3k92 n SER 351 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k92 n ALA 352 N 1.41 1.71 0.26 7.33 0.00 -0.78 -2.84 120.51 127.60 3k92 n ALA 352 Ca 0.22 0.06 0.09 0.00 0.00 0.00 0.00 53.44 53.80 3k92 n ALA 352 Cb 0.56 -1.37 0.66 0.00 0.00 0.00 0.00 19.45 19.29 3k92 n ALA 352 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3k92 h GLY 353 N 2.48 0.00 0.58 0.00 0.00 -1.81 -1.53 103.07 102.79 3k92 h GLY 353 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 3k92 h GLY 353 CO 0.00 0.00 -0.41 -1.33 0.00 0.00 0.00 176.54 174.80 3k92 h GLY 354 N 0.02 -1.17 1.17 4.60 0.00 -1.75 -0.60 103.07 105.34 3k92 h GLY 354 Ca -0.00 0.50 0.04 0.00 0.00 0.00 0.00 47.33 47.87 3k92 h GLY 354 CO 0.00 -0.38 0.46 -0.39 0.00 0.00 0.00 176.54 176.23 3k92 h VAL 355 N -0.95 1.08 -0.71 4.60 -1.51 -1.74 -2.11 116.25 114.91 3k92 h VAL 355 Ca -0.08 -0.28 -0.06 0.00 -1.23 0.00 0.00 66.70 65.06 3k92 h VAL 355 Cb 0.78 0.19 -0.03 0.00 -2.13 0.00 0.00 31.29 30.10 3k92 h VAL 355 CO 0.04 0.15 0.23 0.74 -1.23 0.00 0.00 177.57 177.50 3k92 h THR 356 N 0.82 1.25 0.00 7.19 2.02 -0.91 -0.47 112.91 122.81 3k92 h THR 356 Ca 0.28 -0.88 -0.11 0.00 0.77 0.00 0.00 66.41 66.48 3k92 h THR 356 Cb 0.11 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 3k92 h THR 356 CO -0.08 0.34 -0.50 -0.37 0.37 0.00 0.00 175.52 175.28 3k92 h VAL 357 N 1.06 1.18 -0.34 3.16 -1.51 -0.59 -2.19 116.25 117.02 3k92 h VAL 357 Ca 0.23 -1.82 -0.03 0.00 -1.23 0.00 0.00 66.70 63.85 3k92 h VAL 357 Cb 0.29 2.03 -0.01 0.00 -2.13 0.00 0.00 31.29 31.47 3k92 h VAL 357 CO -0.01 0.49 0.11 0.77 -1.23 0.00 0.00 177.57 177.70 3k92 h SER 358 N 0.00 0.50 -0.18 4.19 4.64 -0.77 -2.00 113.55 119.93 3k92 h SER 358 Ca -0.01 -0.20 0.01 0.00 -0.47 0.00 0.00 61.79 61.13 3k92 h SER 358 Cb 0.99 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.94 3k92 h SER 358 CO 0.07 0.56 0.09 0.22 -0.87 0.00 0.00 176.83 176.90 3k92 h TYR 359 N 0.40 0.17 -0.97 4.77 3.20 -0.82 -2.18 116.97 121.55 3k92 h TYR 359 Ca 0.11 0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.12 3k92 h TYR 359 Cb 0.24 -0.05 -0.08 0.00 1.54 0.00 0.00 36.73 38.38 3k92 h TYR 359 CO 0.01 0.10 0.61 0.74 -1.64 0.00 0.00 178.16 177.98 3k92 h PHE 360 N 0.20 1.04 -0.80 -3.82 0.04 -1.34 -0.04 116.94 112.21 3k92 h PHE 360 Ca 0.07 0.03 0.05 0.00 2.80 0.00 0.00 57.97 60.92 3k92 h PHE 360 Cb 0.01 -0.33 -0.05 0.00 2.20 0.00 0.00 35.95 37.78 3k92 h PHE 360 CO -0.09 0.39 0.50 1.49 -0.60 0.00 0.00 178.31 180.00 3k92 h GLU 361 N 0.88 0.91 -0.33 1.51 4.81 -0.73 -0.85 114.58 120.78 3k92 h GLU 361 Ca 0.49 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.60 3k92 h GLU 361 Cb 0.59 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 3k92 h GLU 361 CO -0.25 0.60 -0.04 2.35 -0.73 0.00 0.00 179.01 180.94 3k92 h TRP 362 N 0.94 0.67 -0.42 0.92 7.01 -0.81 0.11 115.95 124.37 3k92 h TRP 362 Ca 0.34 -0.13 0.05 0.00 2.11 0.00 0.00 58.89 61.25 3k92 h TRP 362 Cb 0.10 -0.17 -0.04 0.00 -2.10 0.00 0.00 29.16 26.95 3k92 h TRP 362 CO -0.04 0.76 0.17 0.28 -2.79 0.00 0.00 178.44 176.82 3k92 h VAL 363 N 0.39 0.90 -0.63 2.65 2.07 -0.81 -0.46 116.25 120.36 3k92 h VAL 363 Ca 0.09 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.50 3k92 h VAL 363 Cb 0.52 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 3k92 h VAL 363 CO 0.03 0.06 0.41 1.56 0.02 0.00 0.00 177.57 179.65 3k92 h GLN 364 N 0.35 0.81 -0.97 1.57 4.20 -0.81 -1.48 115.11 118.77 3k92 h GLN 364 Ca 0.19 -0.05 0.08 0.00 0.06 0.00 0.00 58.65 58.93 3k92 h GLN 364 Cb 0.16 -0.18 -0.07 0.00 0.30 0.00 0.00 27.48 27.69 3k92 h GLN 364 CO -0.18 0.53 0.63 -0.91 -0.67 0.00 0.00 178.83 178.23 3k92 h ASN 365 N 0.83 0.97 -0.17 1.46 2.35 -0.25 0.02 115.58 120.79 3k92 h ASN 365 Ca 0.24 0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.92 3k92 h ASN 365 Cb -0.07 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.10 3k92 h ASN 365 CO -0.06 0.60 -0.16 0.78 -1.65 0.00 0.00 177.43 176.93 3k92 h ASN 366 N 1.08 0.56 0.82 5.81 2.35 -0.10 -2.96 115.58 123.14 3k92 h ASN 366 Ca 0.43 -0.16 -0.24 0.00 -0.55 0.00 0.00 56.30 55.78 3k92 h ASN 366 Cb 0.25 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 3k92 h ASN 366 CO -0.18 0.74 -1.18 1.56 -1.65 0.00 0.00 177.43 176.72 3k92 h GLN 367 N 0.52 0.08 -0.26 0.81 4.20 -0.88 -3.48 115.11 116.09 3k92 h GLN 367 Ca 0.09 -0.13 -0.09 0.00 0.06 0.00 0.00 58.65 58.58 3k92 h GLN 367 Cb 0.57 0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.37 3k92 h GLN 367 CO 0.04 0.99 -0.08 0.41 -0.67 0.00 0.00 178.83 179.52 3k92 n GLY 368 N 1.44 0.62 2.77 3.46 0.00 -0.05 -5.03 105.19 108.40 3k92 n GLY 368 Ca -0.05 -0.85 -0.18 0.00 0.00 0.00 0.00 46.02 44.94 3k92 n GLY 368 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3k92 s TYR 369 N -2.16 0.25 -0.09 1.61 5.04 -1.01 -5.04 117.35 115.94 3k92 s TYR 369 Ca 0.00 0.06 0.01 0.00 -2.44 0.00 0.00 57.07 54.70 3k92 s TYR 369 Cb 0.00 -0.44 -0.02 0.00 0.35 0.00 0.00 41.96 41.85 3k92 s TYR 369 CO 0.00 -0.16 -0.10 0.71 -1.34 0.00 0.00 175.55 174.66 3k92 s TYR 370 N 1.38 2.85 0.19 4.97 1.51 -1.26 -4.49 117.35 122.50 3k92 s TYR 370 Ca -0.05 -0.22 -0.11 0.00 -1.01 0.00 0.00 57.07 55.68 3k92 s TYR 370 Cb -0.13 -1.75 -0.07 0.00 -0.11 0.00 0.00 41.96 39.90 3k92 s TYR 370 CO -0.03 0.12 0.53 -1.58 -1.11 0.00 0.00 175.55 173.49 3k92 s TRP 371 N -0.37 3.50 0.80 2.71 0.51 -1.26 -5.09 118.94 119.73 3k92 s TRP 371 Ca 0.05 0.92 -0.11 0.00 -2.12 0.00 0.00 56.10 54.83 3k92 s TRP 371 Cb -0.12 -2.28 0.07 0.00 -0.81 0.00 0.00 33.47 30.33 3k92 s TRP 371 CO 0.02 0.35 1.12 -1.54 -0.51 0.00 0.00 176.95 176.39 3k92 s SER 372 N -2.10 4.06 0.54 2.95 1.04 -1.26 -4.56 113.70 114.37 3k92 s SER 372 Ca 0.43 2.02 0.25 0.00 0.48 0.00 0.00 55.95 59.13 3k92 s SER 372 Cb -0.13 -2.55 1.42 0.00 0.10 0.00 0.00 66.02 64.87 3k92 s SER 372 CO 0.20 -2.34 2.02 -0.08 0.98 0.00 0.00 173.24 174.02 3k92 h GLU 373 N -1.11 0.00 0.14 4.02 4.81 -1.99 -1.82 114.58 118.63 3k92 h GLU 373 Ca -0.44 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.49 3k92 h GLU 373 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 3k92 h GLU 373 CO 0.48 0.00 -1.45 0.93 -0.73 0.00 0.00 179.01 178.24 3k92 h GLU 374 N 0.00 0.29 -0.63 1.92 3.07 -1.98 -1.16 114.58 116.08 3k92 h GLU 374 Ca 0.21 -0.49 -0.07 0.00 -0.50 0.00 0.00 59.36 58.50 3k92 h GLU 374 Cb 0.87 0.18 -0.03 0.00 -0.84 0.00 0.00 28.75 28.94 3k92 h GLU 374 CO -0.00 1.18 0.12 0.93 -1.40 0.00 0.00 179.01 179.84 3k92 h GLU 375 N 0.08 1.02 -0.19 2.33 5.08 -1.84 -1.45 114.58 119.60 3k92 h GLU 375 Ca -0.22 -0.25 -0.02 0.00 -1.00 0.00 0.00 59.36 57.87 3k92 h GLU 375 Cb 2.02 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 31.13 3k92 h GLU 375 CO 0.19 0.93 0.03 0.28 -1.00 0.00 0.00 179.01 179.43 3k92 h VAL 376 N 0.96 1.23 -0.93 3.13 2.07 -1.30 -1.80 116.25 119.60 3k92 h VAL 376 Ca 0.20 -0.75 0.15 0.00 0.82 0.00 0.00 66.70 67.12 3k92 h VAL 376 Cb 0.39 1.35 -0.09 0.00 -1.52 0.00 0.00 31.29 31.42 3k92 h VAL 376 CO 0.01 0.23 0.54 0.00 0.02 0.00 0.00 177.57 178.36 3k92 h ALA 377 N 0.82 1.43 -0.05 1.67 0.00 -1.06 -1.68 119.26 120.39 3k92 h ALA 377 Ca 0.06 0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.85 3k92 h ALA 377 Cb 0.32 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.03 3k92 h ALA 377 CO 0.00 0.02 -0.65 1.49 0.00 0.00 0.00 179.25 180.11 3k92 h GLU 378 N 0.77 0.54 -0.21 0.00 4.57 -1.07 -2.25 114.58 116.93 3k92 h GLU 378 Ca 0.50 -0.51 -0.11 0.00 -1.18 0.00 0.00 59.36 58.06 3k92 h GLU 378 Cb 0.65 0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.36 3k92 h GLU 378 CO -0.33 1.14 -0.33 0.87 -1.18 0.00 0.00 179.01 179.17 3k92 h LYS 379 N 0.12 0.44 0.13 1.92 1.57 -1.19 -2.55 116.57 117.01 3k92 h LYS 379 Ca -0.07 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.52 3k92 h LYS 379 Cb 1.32 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.62 3k92 h LYS 379 CO 0.13 0.72 -0.06 1.25 -0.57 0.00 0.00 179.45 180.92 3k92 h LEU 380 N 0.38 -0.15 -0.55 2.94 5.85 -1.20 -1.88 115.31 120.69 3k92 h LEU 380 Ca 0.05 -0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.86 3k92 h LEU 380 Cb 0.77 0.04 -0.09 0.00 0.37 0.00 0.00 40.66 41.74 3k92 h LEU 380 CO 0.06 -0.09 -0.00 -0.09 -0.34 0.00 0.00 178.44 177.98 3k92 h ARG 381 N -0.20 0.11 -0.53 1.25 2.43 -1.37 -0.80 114.38 115.27 3k92 h ARG 381 Ca -0.02 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3k92 h ARG 381 Cb 0.15 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 3k92 h ARG 381 CO 0.03 0.07 0.34 1.03 -1.51 0.00 0.00 179.97 179.94 3k92 h SER 382 N 0.11 0.58 0.23 -3.80 0.87 -1.30 0.23 113.55 110.48 3k92 h SER 382 Ca 0.28 -0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.82 3k92 h SER 382 Cb 0.43 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 3k92 h SER 382 CO -0.46 0.42 -0.11 0.58 -0.53 0.00 0.00 176.83 176.72 3k92 h VAL 383 N 0.70 0.79 -0.31 2.23 2.07 -0.92 -2.17 116.25 118.63 3k92 h VAL 383 Ca 0.20 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.60 3k92 h VAL 383 Cb -0.05 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 3k92 h VAL 383 CO -0.06 0.02 0.02 -0.03 0.02 0.00 0.00 177.57 177.54 3k92 h MET 384 N -0.35 0.47 -0.55 1.57 1.85 -0.89 -1.06 114.93 115.97 3k92 h MET 384 Ca -0.03 -0.09 -0.05 0.00 -0.61 0.00 0.00 59.70 58.92 3k92 h MET 384 Cb 0.27 -0.08 -0.02 0.00 0.43 0.00 0.00 31.60 32.20 3k92 h MET 384 CO 0.05 0.48 0.15 0.28 -0.40 0.00 0.00 176.91 177.47 3k92 h VAL 385 N 0.46 1.24 -0.30 -5.77 2.07 -0.90 -2.05 116.25 111.00 3k92 h VAL 385 Ca 0.10 -0.84 -0.15 0.00 0.82 0.00 0.00 66.70 66.64 3k92 h VAL 385 Cb 0.27 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 3k92 h VAL 385 CO 0.00 0.31 -0.40 0.28 0.02 0.00 0.00 177.57 177.78 3k92 h SER 386 N 0.77 0.77 -0.08 0.57 0.02 -0.89 -2.41 113.55 112.30 3k92 h SER 386 Ca 0.17 -0.35 -0.01 0.00 -0.84 0.00 0.00 61.79 60.77 3k92 h SER 386 Cb 0.31 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.63 3k92 h SER 386 CO -0.00 1.08 0.02 0.28 -1.14 0.00 0.00 176.83 177.07 3k92 h SER 387 N 0.59 0.11 -0.37 3.07 0.02 -1.11 0.32 113.55 116.18 3k92 h SER 387 Ca 0.05 -0.20 0.08 0.00 -0.84 0.00 0.00 61.79 60.88 3k92 h SER 387 Cb 0.95 -0.03 -0.08 0.00 0.14 0.00 0.00 62.40 63.38 3k92 h SER 387 CO 0.09 0.28 -0.17 0.15 -1.14 0.00 0.00 176.83 176.03 3k92 h PHE 388 N -0.07 -0.43 -0.23 3.45 3.57 -1.37 -1.21 116.94 120.66 3k92 h PHE 388 Ca 0.02 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 3k92 h PHE 388 Cb 0.21 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 3k92 h PHE 388 CO -0.00 -0.25 0.13 1.49 -2.23 0.00 0.00 178.31 177.44 3k92 h GLU 389 N -0.11 0.31 -0.12 1.11 4.57 -1.28 0.18 114.58 119.24 3k92 h GLU 389 Ca 0.18 -0.03 -0.08 0.00 -1.18 0.00 0.00 59.36 58.25 3k92 h GLU 389 Cb 0.39 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 3k92 h GLU 389 CO -0.44 0.28 -0.30 1.79 -1.18 0.00 0.00 179.01 179.16 3k92 h THR 390 N 0.26 1.26 0.08 0.32 1.35 -0.74 0.33 112.91 115.78 3k92 h THR 390 Ca 0.08 -1.22 -0.27 0.00 -0.55 0.00 0.00 66.41 64.44 3k92 h THR 390 Cb 0.05 1.51 0.02 0.00 -1.73 0.00 0.00 68.15 68.00 3k92 h THR 390 CO -0.01 0.37 -1.15 0.40 -0.25 0.00 0.00 175.52 174.87 3k92 h ILE 391 N 0.19 1.36 0.03 6.82 2.04 -0.80 -2.36 117.51 124.78 3k92 h ILE 391 Ca 0.03 -2.56 0.01 0.00 1.00 0.00 0.00 64.86 63.35 3k92 h ILE 391 Cb 0.64 2.64 -0.02 0.00 -0.74 0.00 0.00 36.82 39.34 3k92 h ILE 391 CO 0.05 0.77 -0.11 0.22 0.00 0.00 0.00 178.15 179.08 3k92 h TYR 392 N 0.23 -0.27 -0.44 1.37 3.20 -0.37 0.06 116.97 120.75 3k92 h TYR 392 Ca -0.14 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.69 3k92 h TYR 392 Cb 1.82 0.12 -0.02 0.00 1.54 0.00 0.00 36.73 40.19 3k92 h TYR 392 CO 0.09 -0.16 0.09 1.96 -1.64 0.00 0.00 178.16 178.50 3k92 h GLN 393 N -0.20 0.67 0.00 1.82 1.08 -0.98 -2.02 115.11 115.49 3k92 h GLN 393 Ca 0.03 -0.13 -0.14 0.00 -1.45 0.00 0.00 58.65 56.96 3k92 h GLN 393 Cb 0.23 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.54 3k92 h GLN 393 CO -0.09 0.62 -0.68 1.79 -0.95 0.00 0.00 178.83 179.53 3k92 h THR 394 N 0.65 1.21 -0.58 -0.54 1.35 -1.22 -0.98 112.91 112.79 3k92 h THR 394 Ca 0.15 -2.59 -0.08 0.00 -0.55 0.00 0.00 66.41 63.34 3k92 h THR 394 Cb 0.27 2.52 -0.02 0.00 -1.73 0.00 0.00 68.15 69.19 3k92 h THR 394 CO -0.00 0.66 0.06 0.00 -0.25 0.00 0.00 175.52 175.99 3k92 h ALA 395 N 1.32 0.78 0.79 6.62 0.00 -0.46 -2.74 119.26 125.57 3k92 h ALA 395 Ca -0.01 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 3k92 h ALA 395 Cb 1.46 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 19.05 3k92 h ALA 395 CO 0.09 0.56 -0.38 0.00 0.00 0.00 0.00 179.25 179.52 3k92 h ALA 396 N 0.99 -1.07 0.00 0.00 0.00 -1.18 0.13 119.26 118.14 3k92 h ALA 396 Ca 0.17 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3k92 h ALA 396 Cb 0.47 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 3k92 h ALA 396 CO 0.02 -1.07 -0.01 1.79 0.00 0.00 0.00 179.25 179.98 3k92 h THR 397 N -1.13 0.13 -0.08 0.00 1.35 -1.24 -2.07 112.91 109.87 3k92 h THR 397 Ca -0.11 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.62 3k92 h THR 397 Cb 0.83 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.36 3k92 h THR 397 CO 0.18 0.01 0.00 1.41 -0.25 0.00 0.00 175.52 176.87 3k92 n HIS 398 N -3.25 0.08 -3.79 4.73 8.25 -1.03 -5.02 115.22 115.19 3k92 n HIS 398 Ca -0.02 -0.07 -0.27 0.00 -0.26 0.00 0.00 57.72 57.10 3k92 n HIS 398 Cb 0.12 -0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.25 3k92 n HIS 398 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3k92 n LYS 399 N 0.83 -2.75 -4.39 -0.41 5.02 0.38 -5.01 118.16 111.83 3k92 n LYS 399 Ca 0.10 0.47 -0.20 0.00 -2.02 0.00 0.00 58.31 56.66 3k92 n LYS 399 Cb 0.39 -4.49 -0.10 0.00 -0.02 0.00 0.00 35.03 30.81 3k92 n LYS 399 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3k92 s VAL 400 N -3.71 1.39 1.02 -0.18 -7.23 -0.74 -5.05 120.40 105.91 3k92 s VAL 400 Ca 0.19 -2.08 -0.14 0.00 -1.81 0.00 0.00 61.98 58.14 3k92 s VAL 400 Cb -0.07 -2.41 0.20 0.00 0.56 0.00 0.00 36.38 34.66 3k92 s VAL 400 CO 0.86 -0.31 1.13 1.51 -0.31 0.00 0.00 175.10 177.98 3k92 s ASP 401 N -3.39 2.51 0.48 4.85 1.47 -1.26 -4.56 116.67 116.77 3k92 s ASP 401 Ca 0.29 0.91 0.16 0.00 1.18 0.00 0.00 52.55 55.09 3k92 s ASP 401 Cb 0.05 -1.41 1.13 0.00 -0.34 0.00 0.00 42.92 42.35 3k92 s ASP 401 CO 0.11 -3.17 2.05 0.24 0.68 0.00 0.00 175.17 175.08 3k92 h MET 402 N -1.92 0.00 0.92 2.11 2.86 -1.90 -1.87 114.93 115.13 3k92 h MET 402 Ca -0.51 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.09 3k92 h MET 402 Cb 1.32 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.99 3k92 h MET 402 CO 0.52 0.12 -0.45 -0.09 1.06 0.00 0.00 176.91 178.07 3k92 h ARG 403 N 0.00 -1.21 -0.53 1.72 2.43 -1.94 0.74 114.38 115.59 3k92 h ARG 403 Ca -0.00 0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.20 3k92 h ARG 403 Cb 0.22 0.27 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 3k92 h ARG 403 CO 0.02 -0.81 0.13 1.25 -1.51 0.00 0.00 179.97 179.05 3k92 h LEU 404 N -1.25 0.76 -1.08 3.80 5.85 -1.92 -1.86 115.31 119.61 3k92 h LEU 404 Ca -0.13 -0.14 -0.08 0.00 0.84 0.00 0.00 57.88 58.38 3k92 h LEU 404 Cb 0.97 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 3k92 h LEU 404 CO 0.20 0.75 -0.24 0.00 -0.34 0.00 0.00 178.44 178.81 3k92 h ALA 405 N 1.35 1.23 -0.00 1.25 0.00 -1.33 0.62 119.26 122.37 3k92 h ALA 405 Ca 0.17 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.78 3k92 h ALA 405 Cb 0.29 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3k92 h ALA 405 CO -0.00 0.51 -0.06 0.00 0.00 0.00 0.00 179.25 179.70 3k92 h ALA 406 N 1.43 -0.06 -0.42 0.00 0.00 -0.31 -0.85 119.26 119.05 3k92 h ALA 406 Ca 0.05 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3k92 h ALA 406 Cb 0.60 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3k92 h ALA 406 CO 0.04 -0.55 0.26 1.88 0.00 0.00 0.00 179.25 180.88 3k92 h TYR 407 N -0.10 0.55 -0.42 0.00 0.99 -1.11 0.15 116.97 117.02 3k92 h TYR 407 Ca 0.02 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.76 3k92 h TYR 407 Cb 0.13 -0.18 -0.02 0.00 1.00 0.00 0.00 36.73 37.66 3k92 h TYR 407 CO -0.13 0.37 0.26 0.52 -0.00 0.00 0.00 178.16 179.18 3k92 h MET 408 N 0.56 0.56 -0.69 4.88 2.86 -0.72 -2.22 114.93 120.16 3k92 h MET 408 Ca 0.15 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.72 3k92 h MET 408 Cb -0.02 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.49 3k92 h MET 408 CO -0.03 0.41 0.35 1.15 1.06 0.00 0.00 176.91 179.84 3k92 h THR 409 N 0.56 1.22 -0.16 2.22 2.02 -0.85 -2.36 112.91 115.54 3k92 h THR 409 Ca 0.15 -0.59 0.02 0.00 0.77 0.00 0.00 66.41 66.76 3k92 h THR 409 Cb -0.02 0.32 -0.03 0.00 -1.74 0.00 0.00 68.15 66.68 3k92 h THR 409 CO -0.03 0.25 -0.17 1.23 0.37 0.00 0.00 175.52 177.17 3k92 h GLY 410 N 1.03 -1.79 1.38 2.16 0.00 -0.12 -3.20 103.07 102.52 3k92 h GLY 410 Ca 0.24 0.86 0.00 0.00 0.00 0.00 0.00 47.33 48.44 3k92 h GLY 410 CO -0.03 -0.60 -0.31 0.29 0.00 0.00 0.00 176.54 175.89 3k92 n ILE 411 N -3.54 0.01 -0.22 2.60 -6.64 -0.99 -3.84 119.36 106.75 3k92 n ILE 411 Ca -0.01 -0.01 -0.05 0.00 -1.77 0.00 0.00 62.75 60.92 3k92 n ILE 411 Cb 0.10 -0.04 0.05 0.00 -1.44 0.00 0.00 39.64 38.31 3k92 n ILE 411 CO 0.00 0.00 0.00 -0.09 -1.77 0.00 0.00 176.55 174.69 3k92 h ARG 412 N 0.00 0.77 -0.51 6.28 2.43 -1.41 0.80 114.38 122.74 3k92 h ARG 412 Ca 0.00 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.06 3k92 h ARG 412 Cb 0.50 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 3k92 h ARG 412 CO 0.00 0.51 0.07 0.87 -1.51 0.00 0.00 179.97 179.91 3k92 h LYS 413 N 0.80 0.85 -0.16 0.20 1.79 -1.74 -0.10 116.57 118.21 3k92 h LYS 413 Ca 0.24 -0.24 -0.10 0.00 -2.18 0.00 0.00 60.65 58.37 3k92 h LYS 413 Cb -0.05 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.50 3k92 h LYS 413 CO -0.07 0.85 -0.34 0.77 -1.08 0.00 0.00 179.45 179.58 3k92 h SER 414 N 0.73 0.34 0.13 0.86 0.02 -1.70 -0.14 113.55 113.78 3k92 h SER 414 Ca 0.15 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 3k92 h SER 414 Cb 0.42 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.87 3k92 h SER 414 CO 0.01 0.66 -0.06 0.00 -1.14 0.00 0.00 176.83 176.31 3k92 h ALA 415 N 1.36 -0.17 -0.42 3.77 0.00 -0.36 -0.15 119.26 123.29 3k92 h ALA 415 Ca 0.03 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.80 3k92 h ALA 415 Cb 0.74 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3k92 h ALA 415 CO 0.06 -0.45 0.27 0.93 0.00 0.00 0.00 179.25 180.05 3k92 h GLU 416 N -0.46 0.53 -0.53 0.00 5.08 -0.95 -2.10 114.58 116.15 3k92 h GLU 416 Ca -0.02 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.38 3k92 h GLU 416 Cb 0.37 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.44 3k92 h GLU 416 CO 0.03 0.35 0.22 0.00 -1.00 0.00 0.00 179.01 178.61 3k92 h ALA 417 N 1.17 0.67 -0.19 3.43 0.00 -1.00 0.10 119.26 123.45 3k92 h ALA 417 Ca 0.16 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 3k92 h ALA 417 Cb -0.03 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3k92 h ALA 417 CO -0.05 -0.16 -0.21 0.77 0.00 0.00 0.00 179.25 179.59 3k92 h SER 418 N 0.42 0.32 -0.01 0.00 0.02 -0.68 -0.48 113.55 113.14 3k92 h SER 418 Ca 0.25 -0.09 -0.18 0.00 -0.84 0.00 0.00 61.79 60.94 3k92 h SER 418 Cb 0.25 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 62.72 3k92 h SER 418 CO -0.23 0.55 -0.68 0.08 -1.14 0.00 0.00 176.83 175.41 3k92 h ARG 419 N 0.30 0.47 -0.94 3.45 -0.00 -0.73 -1.33 114.38 115.59 3k92 h ARG 419 Ca 0.05 -0.50 0.05 0.00 -0.00 0.00 0.00 59.98 59.58 3k92 h ARG 419 Cb 0.55 0.14 -0.06 0.00 -0.00 0.00 0.00 29.97 30.60 3k92 h ARG 419 CO 0.04 1.14 0.60 0.74 -0.00 0.00 0.00 179.97 182.50 3k92 h PHE 420 N 0.01 1.12 0.00 4.08 0.04 -0.41 -1.32 116.94 120.46 3k92 h PHE 420 Ca -0.08 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.72 3k92 h PHE 420 Cb 1.38 -0.37 0.00 0.00 2.20 0.00 0.00 35.95 39.16 3k92 h PHE 420 CO 0.14 0.61 0.00 0.54 -0.60 0.00 0.00 178.31 178.99 3k92 n ARG 421 N -4.53 0.00 -0.60 1.51 1.74 -0.23 -4.90 116.66 109.66 3k92 n ARG 421 Ca 0.13 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.32 3k92 n ARG 421 Cb 0.15 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 3k92 n ARG 421 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k92 n GLY 422 N 0.85 0.63 0.15 -0.13 0.00 -0.50 -4.99 105.19 101.19 3k92 n GLY 422 Ca 0.06 -0.64 -0.16 0.00 0.00 0.00 0.00 46.02 45.27 3k92 n GLY 422 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3k92 h TRP 423 N 0.00 0.61 0.00 1.61 6.55 -1.48 -3.50 115.95 119.75 3k92 h TRP 423 Ca 0.00 -0.29 0.00 0.00 0.95 0.00 0.00 58.89 59.55 3k92 h TRP 423 Cb 0.00 -0.09 0.00 0.00 -0.86 0.00 0.00 29.16 28.21 3k92 h TRP 423 CO 0.00 1.07 0.00 1.33 -1.05 0.00 0.00 178.44 179.79