#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k1z s LEU 9 N 0.00 1.84 -0.14 0.55 2.96 -0.90 -1.04 118.68 121.95 3k1z s LEU 9 Ca 0.00 -0.20 0.02 0.00 -0.22 0.00 0.00 54.13 53.73 3k1z s LEU 9 Cb 0.00 -0.57 0.01 0.00 0.50 0.00 0.00 46.19 46.13 3k1z s LEU 9 CO 0.00 0.08 -0.19 -0.76 -1.32 0.00 0.00 176.35 174.16 3k1z s LEU 10 N 0.10 1.96 0.17 -0.68 1.43 -0.02 -1.03 118.68 120.60 3k1z s LEU 10 Ca -0.02 -0.55 0.06 0.00 -1.03 0.00 0.00 54.13 52.59 3k1z s LEU 10 Cb -0.08 -1.33 -0.04 0.00 0.03 0.00 0.00 46.19 44.78 3k1z s LEU 10 CO 0.00 0.03 0.11 0.42 0.23 0.00 0.00 176.35 177.15 3k1z s THR 11 N 1.03 4.34 -0.00 5.49 -4.23 0.39 -1.91 115.64 120.75 3k1z s THR 11 Ca -0.03 -1.17 0.01 0.00 -1.18 0.00 0.00 61.69 59.32 3k1z s THR 11 Cb -0.15 -3.22 -0.00 0.00 1.34 0.00 0.00 72.50 70.47 3k1z s THR 11 CO -0.05 -0.12 -0.03 0.26 -0.54 0.00 0.00 174.62 174.13 3k1z s TRP 12 N -1.77 0.32 0.48 3.99 0.52 -0.06 -0.49 118.94 121.93 3k1z s TRP 12 Ca 0.30 -0.06 0.02 0.00 0.02 0.00 0.00 56.10 56.39 3k1z s TRP 12 Cb -0.10 -0.22 0.01 0.00 -1.15 0.00 0.00 33.47 32.02 3k1z s TRP 12 CO 0.23 -0.01 0.69 0.34 0.02 0.00 0.00 176.95 178.22 3k1z s ASP 13 N -0.03 5.57 -0.03 2.95 -1.08 -0.44 -0.97 116.67 122.64 3k1z s ASP 13 Ca 0.01 0.04 0.22 0.00 -0.52 0.00 0.00 52.55 52.30 3k1z s ASP 13 Cb -0.02 -1.12 -0.33 0.00 -1.46 0.00 0.00 42.92 39.98 3k1z s ASP 13 CO -0.00 -0.89 0.48 1.33 0.52 0.00 0.00 175.17 176.61 3k1z n VAL 14 N -2.14 0.00 -2.27 1.11 0.24 -1.26 -4.56 118.33 109.45 3k1z n VAL 14 Ca 0.05 -0.49 -0.41 0.00 -2.04 0.00 0.00 64.34 61.45 3k1z n VAL 14 Cb 0.59 0.02 -0.03 0.00 -1.47 0.00 0.00 33.84 32.95 3k1z n VAL 14 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3k1z s LYS 15 N -3.49 4.42 -0.18 7.34 2.20 -1.26 -0.99 119.74 127.78 3k1z s LYS 15 Ca -0.08 1.99 0.00 0.00 -0.36 0.00 0.00 55.97 57.53 3k1z s LYS 15 Cb 0.14 -3.21 0.00 0.00 -1.51 0.00 0.00 37.83 33.25 3k1z s LYS 15 CO 0.90 -0.20 0.00 -0.25 -0.36 0.00 0.00 175.35 175.44 3k1z n ASP 16 N 2.61 -0.62 -0.02 1.43 10.43 -0.78 -4.47 116.55 125.14 3k1z n ASP 16 Ca 0.06 0.04 -0.05 0.00 2.57 0.00 0.00 54.79 57.41 3k1z n ASP 16 Cb 0.43 -0.94 -0.02 0.00 1.84 0.00 0.00 41.12 42.44 3k1z n ASP 16 CO 0.00 0.00 0.00 0.35 -1.07 0.00 0.00 177.20 176.48 3k1z n THR 17 N -0.90 1.32 -0.08 -3.53 -2.24 -1.19 -4.93 114.28 102.73 3k1z n THR 17 Ca -0.02 0.26 -0.11 0.00 -2.27 0.00 0.00 64.05 61.92 3k1z n THR 17 Cb 0.07 -1.92 -0.09 0.00 -2.10 0.00 0.00 70.33 66.30 3k1z n THR 17 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3k1z n LEU 18 N -3.91 2.29 -4.10 3.22 4.77 -0.47 -4.79 117.00 114.01 3k1z n LEU 18 Ca -0.07 -0.07 -0.13 0.00 -0.03 0.00 0.00 56.01 55.71 3k1z n LEU 18 Cb 0.26 -0.38 -0.11 0.00 -2.33 0.00 0.00 43.42 40.86 3k1z n LEU 18 CO 0.09 0.68 -0.40 -0.76 -1.33 0.00 0.00 177.39 175.67 3k1z s LEU 19 N -5.76 2.32 0.05 2.23 1.43 -0.16 -0.91 118.68 117.87 3k1z s LEU 19 Ca -0.19 -0.67 -0.06 0.00 -1.03 0.00 0.00 54.13 52.18 3k1z s LEU 19 Cb 0.05 -0.18 -0.01 0.00 0.03 0.00 0.00 46.19 46.08 3k1z s LEU 19 CO 0.43 -0.26 0.10 0.00 0.23 0.00 0.00 176.35 176.85 3k1z s ARG 20 N -2.18 0.63 0.28 1.70 1.70 -0.60 -1.86 118.95 118.62 3k1z s ARG 20 Ca -0.03 -0.82 -0.30 0.00 -0.47 0.00 0.00 55.73 54.10 3k1z s ARG 20 Cb -0.06 0.24 -0.11 0.00 -0.57 0.00 0.00 34.95 34.46 3k1z s ARG 20 CO -0.01 -0.16 1.48 -0.51 -1.08 0.00 0.00 175.30 175.03 3k1z s LEU 21 N -2.30 4.37 0.26 -1.89 1.43 -1.26 -0.79 118.68 118.50 3k1z s LEU 21 Ca -0.02 2.78 0.00 0.00 -1.03 0.00 0.00 54.13 55.86 3k1z s LEU 21 Cb 0.01 -3.63 0.35 0.00 0.03 0.00 0.00 46.19 42.94 3k1z s LEU 21 CO -0.06 -0.77 1.71 -0.09 0.23 0.00 0.00 176.35 177.37 3k1z h ARG 22 N 4.72 0.60 -5.34 1.70 2.43 -1.47 -3.45 114.38 113.57 3k1z h ARG 22 Ca -0.47 -0.22 -0.43 0.00 -0.81 0.00 0.00 59.98 58.06 3k1z h ARG 22 Cb 1.22 -0.04 -0.23 0.00 -0.42 0.00 0.00 29.97 30.50 3k1z h ARG 22 CO 0.76 0.77 -0.79 -1.01 -1.51 0.00 0.00 179.97 178.20 3k1z s HIS 23 N -4.61 1.22 0.70 2.20 3.76 -1.26 -5.03 115.29 112.26 3k1z s HIS 23 Ca -0.08 -0.41 -0.16 0.00 -0.15 0.00 0.00 55.06 54.26 3k1z s HIS 23 Cb 0.14 -0.70 0.02 0.00 1.11 0.00 0.00 32.58 33.14 3k1z s HIS 23 CO 0.80 0.05 1.21 -2.14 -0.85 0.00 0.00 174.74 173.81 3k1z s PRO 24 N -1.47 2.35 0.21 8.40 0.02 -1.26 -4.78 135.00 138.47 3k1z s PRO 24 Ca -0.00 1.78 -0.10 0.00 0.02 0.00 0.00 61.00 62.69 3k1z s PRO 24 Cb -0.09 -1.86 0.16 0.00 0.02 0.00 0.00 34.50 32.73 3k1z s PRO 24 CO 0.02 -1.67 1.87 1.25 -0.33 0.00 0.00 177.00 178.14 3k1z h LEU 25 N -0.00 0.90 -0.50 -5.54 6.46 -1.99 -0.98 115.31 113.65 3k1z h LEU 25 Ca -0.48 -0.04 0.03 0.00 -0.12 0.00 0.00 57.88 57.27 3k1z h LEU 25 Cb 1.30 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 40.96 3k1z h LEU 25 CO 0.51 0.67 0.27 1.23 -0.62 0.00 0.00 178.44 180.50 3k1z h GLY 26 N 1.04 0.70 0.95 3.75 0.00 -1.90 0.25 103.07 107.86 3k1z h GLY 26 Ca 0.28 -0.20 -0.04 0.00 0.00 0.00 0.00 47.33 47.37 3k1z h GLY 26 CO -0.06 0.15 0.10 0.83 0.00 0.00 0.00 176.54 177.56 3k1z h GLU 27 N 0.54 0.71 -0.20 4.80 5.08 -1.74 -0.43 114.58 123.33 3k1z h GLU 27 Ca 0.21 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3k1z h GLU 27 Cb 0.08 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3k1z h GLU 27 CO -0.13 0.71 0.08 0.00 -1.00 0.00 0.00 179.01 178.67 3k1z h ALA 28 N 0.96 0.26 -0.14 3.43 0.00 -0.69 0.16 119.26 123.24 3k1z h ALA 28 Ca 0.14 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3k1z h ALA 28 Cb 0.32 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3k1z h ALA 28 CO 0.00 -0.15 0.06 1.88 0.00 0.00 0.00 179.25 181.04 3k1z h TYR 29 N 0.16 0.21 -0.94 0.00 -1.99 -0.47 -1.86 116.97 112.08 3k1z h TYR 29 Ca 0.07 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.78 3k1z h TYR 29 Cb 0.18 -0.06 -0.05 0.00 2.00 0.00 0.00 36.73 38.80 3k1z h TYR 29 CO -0.01 0.28 0.60 0.00 -0.00 0.00 0.00 178.16 179.03 3k1z h ALA 30 N 0.91 1.20 -0.21 3.88 0.00 -0.93 0.18 119.26 124.29 3k1z h ALA 30 Ca 0.05 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3k1z h ALA 30 Cb 0.16 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3k1z h ALA 30 CO -0.00 0.62 0.04 1.15 0.00 0.00 0.00 179.25 181.06 3k1z h THR 31 N 1.29 1.22 -0.38 0.00 2.02 -0.55 -0.30 112.91 116.20 3k1z h THR 31 Ca 0.34 -0.70 -0.00 0.00 0.77 0.00 0.00 66.41 66.82 3k1z h THR 31 Cb -0.11 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 3k1z h THR 31 CO -0.07 0.22 0.23 0.50 0.37 0.00 0.00 175.52 176.77 3k1z h LYS 32 N 0.15 0.51 -0.56 6.66 1.63 -1.20 -2.50 116.57 121.26 3k1z h LYS 32 Ca 0.06 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.81 3k1z h LYS 32 Cb 0.29 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.79 3k1z h LYS 32 CO 0.00 0.36 0.30 0.00 -3.45 0.00 0.00 179.45 176.67 3k1z h ALA 33 N 1.11 0.71 -0.70 5.00 0.00 -0.79 -2.39 119.26 122.20 3k1z h ALA 33 Ca 0.14 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.00 3k1z h ALA 33 Cb -0.02 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.50 3k1z h ALA 33 CO -0.03 0.24 0.41 -0.09 0.00 0.00 0.00 179.25 179.78 3k1z h ARG 34 N 0.75 0.73 -0.57 0.00 2.43 -0.17 -0.70 114.38 116.83 3k1z h ARG 34 Ca 0.19 -0.04 0.07 0.00 -0.81 0.00 0.00 59.98 59.39 3k1z h ARG 34 Cb 0.06 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.41 3k1z h ARG 34 CO -0.03 0.48 0.38 0.00 -1.51 0.00 0.00 179.97 179.29 3k1z h ALA 35 N 1.35 1.88 -0.56 2.80 0.00 -0.99 -1.51 119.26 122.24 3k1z h ALA 35 Ca 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3k1z h ALA 35 Cb 0.17 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3k1z h ALA 35 CO -0.18 0.02 0.00 0.72 0.00 0.00 0.00 179.25 179.81 3k1z n HIS 36 N -4.47 0.88 -0.42 0.00 8.25 -0.52 -4.93 115.22 114.00 3k1z n HIS 36 Ca 0.08 -0.41 0.00 0.00 -0.26 0.00 0.00 57.72 57.13 3k1z n HIS 36 Cb 0.27 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.32 3k1z n HIS 36 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3k1z n GLY 37 N 1.30 0.77 3.28 -1.41 0.00 -0.57 -5.06 105.19 103.50 3k1z n GLY 37 Ca 0.20 -0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3k1z n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k1z s LEU 38 N 0.00 2.51 -0.42 0.99 1.43 -0.39 -4.99 118.68 117.82 3k1z s LEU 38 Ca 0.00 -0.45 -0.08 0.00 -1.03 0.00 0.00 54.13 52.57 3k1z s LEU 38 Cb 0.00 -1.57 0.09 0.00 0.03 0.00 0.00 46.19 44.73 3k1z s LEU 38 CO 0.00 0.09 0.26 -1.61 0.23 0.00 0.00 176.35 175.32 3k1z s GLU 39 N 0.77 2.53 -0.02 1.70 0.41 -1.26 -1.73 118.70 121.10 3k1z s GLU 39 Ca -0.06 -1.53 0.03 0.00 -0.41 0.00 0.00 54.97 53.01 3k1z s GLU 39 Cb -0.15 -3.77 -0.00 0.00 -1.78 0.00 0.00 34.13 28.43 3k1z s GLU 39 CO 0.01 -0.99 -0.12 0.08 -0.49 0.00 0.00 175.26 173.75 3k1z s VAL 40 N 1.39 0.98 0.24 2.63 1.01 -1.26 -5.08 120.40 120.31 3k1z s VAL 40 Ca 0.04 -0.50 -0.30 0.00 0.00 0.00 0.00 61.98 61.22 3k1z s VAL 40 Cb -0.23 -0.84 -0.09 0.00 0.00 0.00 0.00 36.38 35.21 3k1z s VAL 40 CO 0.01 0.29 1.14 -1.61 0.00 0.00 0.00 175.10 174.93 3k1z s GLU 41 N -0.06 4.57 0.24 2.72 0.41 -1.26 -4.74 118.70 120.58 3k1z s GLU 41 Ca 0.01 1.85 -0.05 0.00 -0.41 0.00 0.00 54.97 56.37 3k1z s GLU 41 Cb -0.07 -3.21 0.42 0.00 -1.78 0.00 0.00 34.13 29.49 3k1z s GLU 41 CO 0.00 0.08 1.77 -1.35 -0.49 0.00 0.00 175.26 175.26 3k1z h PRO 42 N 4.36 0.57 -0.54 0.39 0.11 -1.96 -1.60 132.00 133.33 3k1z h PRO 42 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3k1z h PRO 42 Cb 1.21 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 3k1z h PRO 42 CO 0.70 0.37 0.35 0.66 -0.21 0.00 0.00 178.00 179.87 3k1z h SER 43 N 0.58 0.62 -0.47 -2.05 4.64 -1.92 0.11 113.55 115.07 3k1z h SER 43 Ca 0.40 -0.02 -0.13 0.00 -0.47 0.00 0.00 61.79 61.57 3k1z h SER 43 Cb 0.50 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 3k1z h SER 43 CO -0.32 0.45 -0.21 0.00 -0.87 0.00 0.00 176.83 175.88 3k1z h ALA 44 N 1.66 0.72 -0.23 5.18 0.00 -1.70 -2.06 119.26 122.82 3k1z h ALA 44 Ca 0.20 -0.39 -0.17 0.00 0.00 0.00 0.00 54.91 54.55 3k1z h ALA 44 Cb -0.08 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 3k1z h ALA 44 CO -0.04 0.67 -0.53 -0.07 0.00 0.00 0.00 179.25 179.28 3k1z h LEU 45 N 0.85 0.75 -0.61 0.00 3.38 -0.81 -0.45 115.31 118.42 3k1z h LEU 45 Ca 0.11 -0.39 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 3k1z h LEU 45 Cb 0.78 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 3k1z h LEU 45 CO 0.07 1.14 0.24 -0.08 0.09 0.00 0.00 178.44 179.89 3k1z h GLU 46 N 0.52 0.91 -0.23 1.13 4.57 -0.71 0.20 114.58 120.96 3k1z h GLU 46 Ca 0.01 -0.17 -0.08 0.00 -1.18 0.00 0.00 59.36 57.95 3k1z h GLU 46 Cb 1.10 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 29.54 3k1z h GLU 46 CO 0.11 0.77 -0.15 1.96 -1.18 0.00 0.00 179.01 180.52 3k1z h GLN 47 N 0.85 0.51 -0.65 1.92 4.20 -1.36 -2.11 115.11 118.48 3k1z h GLN 47 Ca 0.20 -0.24 0.04 0.00 0.06 0.00 0.00 58.65 58.71 3k1z h GLN 47 Cb 0.21 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 27.93 3k1z h GLN 47 CO -0.02 0.81 0.38 0.78 -0.67 0.00 0.00 178.83 180.11 3k1z h GLY 48 N 0.22 0.94 0.86 3.46 0.00 -0.89 -2.31 103.07 105.35 3k1z h GLY 48 Ca 0.05 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 3k1z h GLY 48 CO 0.04 0.21 -0.00 -2.75 0.00 0.00 0.00 176.54 174.04 3k1z h PHE 49 N 0.73 -0.00 -0.63 5.60 3.57 -0.53 0.23 116.94 125.91 3k1z h PHE 49 Ca 0.27 -0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.89 3k1z h PHE 49 Cb 0.10 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 38.75 3k1z h PHE 49 CO -0.06 0.13 0.17 -0.09 -2.23 0.00 0.00 178.31 176.23 3k1z h ARG 50 N -0.14 0.30 -0.26 1.11 2.43 -1.25 0.28 114.38 116.84 3k1z h ARG 50 Ca -0.00 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.08 3k1z h ARG 50 Cb 0.14 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 3k1z h ARG 50 CO 0.00 0.20 -0.10 0.37 -1.51 0.00 0.00 179.97 178.93 3k1z h GLN 51 N 0.31 0.53 -0.56 0.20 4.15 -1.21 -2.28 115.11 116.24 3k1z h GLN 51 Ca 0.34 -0.22 -0.08 0.00 0.77 0.00 0.00 58.65 59.45 3k1z h GLN 51 Cb 0.50 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.14 3k1z h GLN 51 CO -0.40 0.76 0.02 0.00 -1.93 0.00 0.00 178.83 177.29 3k1z h ALA 52 N 0.75 0.76 -0.29 3.38 0.00 0.03 -0.89 119.26 123.00 3k1z h ALA 52 Ca 0.06 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 3k1z h ALA 52 Cb 0.59 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3k1z h ALA 52 CO 0.03 0.56 0.04 -0.92 0.00 0.00 0.00 179.25 178.97 3k1z h TYR 53 N 0.87 0.50 -0.39 0.00 3.20 -0.48 -0.44 116.97 120.23 3k1z h TYR 53 Ca 0.16 -0.07 -0.02 0.00 3.14 0.00 0.00 58.73 61.94 3k1z h TYR 53 Cb 0.51 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 3k1z h TYR 53 CO 0.04 0.57 0.16 -0.09 -1.64 0.00 0.00 178.16 177.20 3k1z h ARG 54 N 0.29 0.57 -0.43 1.82 2.43 -1.24 -0.99 114.38 116.84 3k1z h ARG 54 Ca 0.09 -0.10 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 3k1z h ARG 54 Cb 0.34 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 3k1z h ARG 54 CO 0.01 0.54 0.24 0.00 -1.51 0.00 0.00 179.97 179.25 3k1z h ALA 55 N 1.01 0.55 -0.54 2.80 0.00 -1.00 0.15 119.26 122.23 3k1z h ALA 55 Ca 0.13 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3k1z h ALA 55 Cb 0.18 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 3k1z h ALA 55 CO -0.01 0.06 0.22 0.37 0.00 0.00 0.00 179.25 179.90 3k1z h GLN 56 N 0.56 0.80 -0.21 0.00 5.75 -0.92 -2.83 115.11 118.26 3k1z h GLN 56 Ca 0.15 -0.14 -0.07 0.00 -0.15 0.00 0.00 58.65 58.45 3k1z h GLN 56 Cb 0.04 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.44 3k1z h GLN 56 CO -0.03 0.69 -0.16 0.77 -2.65 0.00 0.00 178.83 177.45 3k1z h SER 57 N 0.73 0.34 -0.29 -0.69 0.02 -0.83 0.19 113.55 113.01 3k1z h SER 57 Ca 0.18 -0.09 0.04 0.00 -0.84 0.00 0.00 61.79 61.08 3k1z h SER 57 Cb 0.18 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.60 3k1z h SER 57 CO -0.02 0.53 0.07 -0.74 -1.14 0.00 0.00 176.83 175.53 3k1z h HIS 58 N 0.33 0.12 0.00 3.45 -0.00 -0.73 -2.86 115.15 115.45 3k1z h HIS 58 Ca 0.06 0.02 -0.21 0.00 -0.00 0.00 0.00 60.37 60.23 3k1z h HIS 58 Cb 0.48 -0.01 -0.04 0.00 -0.00 0.00 0.00 27.41 27.84 3k1z h HIS 58 CO 0.01 0.04 -1.70 0.43 -0.00 0.00 0.00 177.93 176.70 3k1z n SER 59 N -5.07 0.62 -3.25 3.26 7.64 -1.13 -4.66 113.62 111.04 3k1z n SER 59 Ca -0.00 0.28 -0.25 0.00 1.01 0.00 0.00 58.87 59.91 3k1z n SER 59 Cb 0.12 0.44 -0.07 0.00 -1.01 0.00 0.00 64.21 63.69 3k1z n SER 59 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3k1z n PHE 60 N -2.83 1.46 -1.36 1.43 3.72 0.64 -5.03 117.46 115.48 3k1z n PHE 60 Ca -0.15 -3.83 -0.35 0.00 -0.05 0.00 0.00 57.45 53.07 3k1z n PHE 60 Cb 0.91 -0.44 0.10 0.00 -0.94 0.00 0.00 39.48 39.11 3k1z n PHE 60 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3k1z n PRO 61 N 0.97 0.56 -3.86 -1.08 -0.04 -1.08 -2.55 135.00 127.92 3k1z n PRO 61 Ca 0.25 0.26 -0.36 0.00 -0.04 0.00 0.00 63.50 63.61 3k1z n PRO 61 Cb 0.49 -2.44 0.03 0.00 -0.04 0.00 0.00 33.50 31.53 3k1z n PRO 61 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 3k1z n ASN 62 N -2.55 -4.25 -1.45 3.54 5.15 -1.26 -1.95 115.26 112.49 3k1z n ASN 62 Ca 0.14 -1.12 -0.19 0.00 -0.60 0.00 0.00 54.58 52.81 3k1z n ASN 62 Cb 0.49 -2.70 -0.08 0.00 -0.53 0.00 0.00 39.78 36.96 3k1z n ASN 62 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 3k1z n TYR 63 N -4.53 0.00 -1.01 1.20 4.01 -1.24 -2.76 117.16 112.85 3k1z n TYR 63 Ca -0.13 0.00 -0.00 0.00 -0.16 0.00 0.00 57.90 57.61 3k1z n TYR 63 Cb 0.59 -3.23 -0.00 0.00 -0.31 0.00 0.00 39.34 36.39 3k1z n TYR 63 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3k1z n GLY 64 N -0.56 0.33 0.22 2.72 0.00 -0.82 -3.98 105.19 103.10 3k1z n GLY 64 Ca -0.19 -0.02 0.02 0.00 0.00 0.00 0.00 46.02 45.84 3k1z n GLY 64 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3k1z h LEU 65 N 0.00 0.14 0.00 0.99 3.38 -1.65 -0.64 115.31 117.53 3k1z h LEU 65 Ca -0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3k1z h LEU 65 Cb 0.38 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3k1z h LEU 65 CO 0.01 0.39 0.00 -1.54 0.09 0.00 0.00 178.44 177.38 3k1z n SER 66 N -4.20 0.00 -2.68 -0.43 3.41 -1.26 -4.07 113.62 104.38 3k1z n SER 66 Ca -0.01 -0.25 -0.08 0.00 -0.26 0.00 0.00 58.87 58.26 3k1z n SER 66 Cb 0.33 -0.25 0.03 0.00 -0.26 0.00 0.00 64.21 64.06 3k1z n SER 66 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3k1z n HIS 67 N -1.25 1.36 -0.85 7.33 -0.00 -0.33 -5.00 115.22 116.48 3k1z n HIS 67 Ca 0.15 -2.62 0.00 0.00 -0.00 0.00 0.00 57.72 55.26 3k1z n HIS 67 Cb 0.22 -0.32 0.00 0.00 -0.00 0.00 0.00 29.99 29.89 3k1z n HIS 67 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3k1z n GLY 68 N -0.25 0.63 3.75 1.57 0.00 -1.16 -5.01 105.19 104.72 3k1z n GLY 68 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 3k1z n GLY 68 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k1z s LEU 69 N 0.00 3.31 0.17 0.99 1.43 -0.69 -5.04 118.68 118.85 3k1z s LEU 69 Ca 0.00 -0.72 0.05 0.00 -1.03 0.00 0.00 54.13 52.43 3k1z s LEU 69 Cb 0.00 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 3k1z s LEU 69 CO 0.00 -0.28 0.15 0.42 0.23 0.00 0.00 176.35 176.87 3k1z s THR 70 N -2.40 4.54 0.37 5.49 -4.23 -1.26 -4.02 115.64 114.13 3k1z s THR 70 Ca 0.38 -1.08 0.11 0.00 -1.18 0.00 0.00 61.69 59.92 3k1z s THR 70 Cb -0.03 -3.33 0.10 0.00 1.34 0.00 0.00 72.50 70.58 3k1z s THR 70 CO 0.23 -0.13 1.83 0.77 -0.54 0.00 0.00 174.62 176.79 3k1z h SER 71 N 2.31 0.09 -0.30 3.99 4.64 -1.96 -0.70 113.55 121.63 3k1z h SER 71 Ca -0.48 -0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 60.81 3k1z h SER 71 Cb 1.20 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 3k1z h SER 71 CO 0.63 0.41 0.17 -0.09 -0.87 0.00 0.00 176.83 177.08 3k1z h ARG 72 N 0.09 0.41 -0.70 4.77 2.43 -1.96 -1.41 114.38 118.01 3k1z h ARG 72 Ca 0.01 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 3k1z h ARG 72 Cb 0.60 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.04 3k1z h ARG 72 CO 0.04 0.33 0.31 0.37 -1.51 0.00 0.00 179.97 179.51 3k1z h GLN 73 N 0.37 1.02 -0.27 0.20 5.75 -1.85 -0.75 115.11 119.58 3k1z h GLN 73 Ca 0.11 -0.17 0.06 0.00 -0.15 0.00 0.00 58.65 58.49 3k1z h GLN 73 Cb 0.04 -0.17 -0.06 0.00 1.07 0.00 0.00 27.48 28.36 3k1z h GLN 73 CO -0.02 0.83 -0.10 2.35 -2.65 0.00 0.00 178.83 179.24 3k1z h TRP 74 N 0.98 -0.23 -0.54 3.99 7.01 -0.90 0.34 115.95 126.59 3k1z h TRP 74 Ca 0.24 0.03 -0.10 0.00 2.11 0.00 0.00 58.89 61.16 3k1z h TRP 74 Cb 0.17 0.15 -0.02 0.00 -2.10 0.00 0.00 29.16 27.35 3k1z h TRP 74 CO 0.01 -0.16 -0.05 -1.49 -2.79 0.00 0.00 178.44 173.96 3k1z h TRP 75 N -0.05 1.06 -0.27 2.65 4.06 -1.01 -1.82 115.95 120.57 3k1z h TRP 75 Ca 0.14 -0.19 0.02 0.00 2.06 0.00 0.00 58.89 60.92 3k1z h TRP 75 Cb 0.26 -0.27 -0.03 0.00 -1.00 0.00 0.00 29.16 28.12 3k1z h TRP 75 CO -0.29 0.97 0.11 1.25 -3.56 0.00 0.00 178.44 176.92 3k1z h LEU 76 N 0.88 0.15 -0.66 -4.49 5.85 -0.74 0.36 115.31 116.66 3k1z h LEU 76 Ca 0.15 0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.99 3k1z h LEU 76 Cb 0.59 -0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.54 3k1z h LEU 76 CO 0.04 0.12 0.29 0.44 -0.34 0.00 0.00 178.44 178.99 3k1z h ASP 77 N 0.25 0.34 -0.39 1.25 3.32 -0.68 -0.04 116.42 120.46 3k1z h ASP 77 Ca 0.12 0.07 -0.07 0.00 0.02 0.00 0.00 57.03 57.16 3k1z h ASP 77 Cb 0.06 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 3k1z h ASP 77 CO -0.10 0.19 -0.04 0.58 -1.72 0.00 0.00 179.24 178.15 3k1z h VAL 78 N 0.50 1.27 -0.29 -1.35 2.07 -0.55 -1.09 116.25 116.81 3k1z h VAL 78 Ca 0.33 -1.09 -0.06 0.00 0.82 0.00 0.00 66.70 66.71 3k1z h VAL 78 Cb 0.38 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 3k1z h VAL 78 CO -0.29 0.36 -0.04 0.58 0.02 0.00 0.00 177.57 178.20 3k1z h VAL 79 N 0.53 1.27 -0.55 2.57 2.07 -0.60 0.28 116.25 121.83 3k1z h VAL 79 Ca 0.10 -1.04 0.08 0.00 0.82 0.00 0.00 66.70 66.66 3k1z h VAL 79 Cb 0.54 1.37 -0.06 0.00 -1.52 0.00 0.00 31.29 31.61 3k1z h VAL 79 CO 0.03 0.33 0.19 -0.07 0.02 0.00 0.00 177.57 178.07 3k1z h LEU 80 N 0.31 0.18 -0.60 2.57 3.38 -0.90 -1.81 115.31 118.44 3k1z h LEU 80 Ca 0.08 0.07 -0.15 0.00 0.09 0.00 0.00 57.88 57.97 3k1z h LEU 80 Cb 0.51 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 3k1z h LEU 80 CO 0.02 0.12 -0.59 -0.61 0.09 0.00 0.00 178.44 177.48 3k1z h GLN 81 N 0.37 0.36 -0.34 1.13 5.75 -0.98 -0.94 115.11 120.46 3k1z h GLN 81 Ca 0.27 -0.24 0.05 0.00 -0.15 0.00 0.00 58.65 58.59 3k1z h GLN 81 Cb 0.31 0.03 -0.05 0.00 1.07 0.00 0.00 27.48 28.85 3k1z h GLN 81 CO -0.28 0.84 0.04 1.15 -2.65 0.00 0.00 178.83 177.93 3k1z h THR 82 N 0.27 0.80 -0.18 2.39 2.02 -0.53 -0.05 112.91 117.63 3k1z h THR 82 Ca -0.00 -0.05 -0.17 0.00 0.77 0.00 0.00 66.41 66.96 3k1z h THR 82 Cb 1.10 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 68.14 3k1z h THR 82 CO 0.10 0.03 -0.59 -0.26 0.37 0.00 0.00 175.52 175.17 3k1z h PHE 83 N 0.15 0.72 -0.27 3.16 0.04 -1.20 -1.88 116.94 117.66 3k1z h PHE 83 Ca 0.16 -0.27 0.02 0.00 2.80 0.00 0.00 57.97 60.68 3k1z h PHE 83 Cb 0.20 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.20 3k1z h PHE 83 CO -0.21 1.01 0.13 1.25 -0.60 0.00 0.00 178.31 179.90 3k1z h HIS 84 N 0.43 0.25 -0.06 -0.55 2.76 -0.87 0.84 115.15 117.95 3k1z h HIS 84 Ca 0.00 0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.12 3k1z h HIS 84 Cb 1.14 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 30.02 3k1z h HIS 84 CO 0.05 0.14 -0.27 -0.07 -1.30 0.00 0.00 177.93 176.48 3k1z h LEU 85 N 0.28 0.10 0.00 0.26 3.38 -0.89 -1.33 115.31 117.11 3k1z h LEU 85 Ca 0.11 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3k1z h LEU 85 Cb 0.03 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3k1z h LEU 85 CO -0.07 0.37 0.00 0.00 0.09 0.00 0.00 178.44 178.83 3k1z n ALA 86 N -2.48 2.42 0.00 1.53 0.00 -0.72 -4.90 120.51 116.35 3k1z n ALA 86 Ca -0.02 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.28 3k1z n ALA 86 Cb 0.34 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.34 3k1z n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k1z n GLY 87 N 0.94 1.17 3.13 0.00 0.00 -0.50 -4.99 105.19 104.93 3k1z n GLY 87 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 3k1z n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k1z s VAL 88 N -2.00 3.42 -0.68 1.61 1.01 0.20 -4.96 120.40 119.00 3k1z s VAL 88 Ca 0.00 -2.12 0.24 0.00 0.00 0.00 0.00 61.98 60.09 3k1z s VAL 88 Cb 0.00 -3.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 3k1z s VAL 88 CO 0.00 -0.72 1.20 0.00 0.00 0.00 0.00 175.10 175.58 3k1z n GLN 89 N 4.51 0.25 -2.24 2.72 6.02 -1.26 -2.87 117.38 124.50 3k1z n GLN 89 Ca -0.02 0.04 -0.41 0.00 -0.01 0.00 0.00 57.00 56.60 3k1z n GLN 89 Cb 0.41 -1.62 -0.03 0.00 1.02 0.00 0.00 30.24 30.02 3k1z n GLN 89 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3k1z s ASP 90 N -3.92 5.80 0.52 1.08 2.15 -1.26 -4.84 116.67 116.20 3k1z s ASP 90 Ca 0.06 0.33 0.24 0.00 0.43 0.00 0.00 52.55 53.60 3k1z s ASP 90 Cb 0.14 -2.54 1.41 0.00 -0.30 0.00 0.00 42.92 41.63 3k1z s ASP 90 CO 0.75 -1.96 2.10 0.00 -0.17 0.00 0.00 175.17 175.90 3k1z h ALA 91 N 12.51 1.50 0.00 3.66 0.00 -1.98 -1.72 119.26 133.24 3k1z h ALA 91 Ca -0.27 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.44 3k1z h ALA 91 Cb 1.12 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3k1z h ALA 91 CO 1.19 0.12 -0.49 1.96 0.00 0.00 0.00 179.25 182.03 3k1z h GLN 92 N 0.00 0.00 0.03 0.00 7.50 -2.00 -0.68 115.11 119.96 3k1z h GLN 92 Ca -0.00 0.00 -0.24 0.00 0.50 0.00 0.00 58.65 58.91 3k1z h GLN 92 Cb 0.22 0.00 0.01 0.00 0.05 0.00 0.00 27.48 27.76 3k1z h GLN 92 CO 0.01 0.49 -1.02 0.00 -1.50 0.00 0.00 178.83 176.82 3k1z h ALA 93 N 1.51 0.28 0.01 3.87 0.00 -1.72 -3.34 119.26 119.86 3k1z h ALA 93 Ca -0.00 -0.74 -0.26 0.00 0.00 0.00 0.00 54.91 53.91 3k1z h ALA 93 Cb 1.08 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.83 3k1z h ALA 93 CO 0.06 0.81 -1.38 0.28 0.00 0.00 0.00 179.25 179.03 3k1z h VAL 94 N 0.23 1.26 -0.69 0.00 2.07 -1.34 -3.39 116.25 114.39 3k1z h VAL 94 Ca -0.10 -3.04 0.14 0.00 0.82 0.00 0.00 66.70 64.52 3k1z h VAL 94 Cb 1.67 2.64 -0.13 0.00 -1.52 0.00 0.00 31.29 33.94 3k1z h VAL 94 CO 0.18 0.73 -0.17 0.00 0.02 0.00 0.00 177.57 178.33 3k1z h ALA 95 N 0.96 0.45 -0.23 1.67 0.00 -1.24 0.15 119.26 121.02 3k1z h ALA 95 Ca -0.16 0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 3k1z h ALA 95 Cb 1.90 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 20.20 3k1z h ALA 95 CO 0.11 -0.42 -0.21 -1.00 0.00 0.00 0.00 179.25 177.72 3k1z h PRO 96 N -0.00 0.41 -0.16 0.00 0.13 -1.79 -1.08 132.00 129.51 3k1z h PRO 96 Ca 0.33 -0.14 -0.03 0.00 -0.87 0.00 0.00 66.00 65.30 3k1z h PRO 96 Cb 0.50 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.59 3k1z h PRO 96 CO -0.71 0.61 -0.00 0.82 -0.23 0.00 0.00 178.00 178.49 3k1z h ILE 97 N 0.37 1.26 -0.76 -3.56 2.04 -1.20 -1.73 117.51 113.92 3k1z h ILE 97 Ca 0.06 -0.86 0.01 0.00 1.00 0.00 0.00 64.86 65.07 3k1z h ILE 97 Cb 0.58 1.52 -0.04 0.00 -0.74 0.00 0.00 36.82 38.14 3k1z h ILE 97 CO 0.04 0.25 0.50 0.00 0.00 0.00 0.00 178.15 178.94 3k1z h ALA 98 N 0.76 0.97 -0.53 1.87 0.00 -0.57 -0.65 119.26 121.12 3k1z h ALA 98 Ca 0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3k1z h ALA 98 Cb 0.39 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3k1z h ALA 98 CO 0.01 0.39 0.29 0.93 0.00 0.00 0.00 179.25 180.87 3k1z h GLU 99 N 1.04 0.74 -0.56 0.00 4.39 -1.07 -1.18 114.58 117.94 3k1z h GLU 99 Ca 0.28 -0.09 -0.06 0.00 0.34 0.00 0.00 59.36 59.83 3k1z h GLU 99 Cb -0.11 -0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.37 3k1z h GLU 99 CO -0.06 0.57 0.10 1.96 -1.16 0.00 0.00 179.01 180.42 3k1z h GLN 100 N 0.71 0.89 -0.69 2.33 4.20 -0.95 -1.23 115.11 120.36 3k1z h GLN 100 Ca 0.19 -0.21 -0.07 0.00 0.06 0.00 0.00 58.65 58.62 3k1z h GLN 100 Cb 0.05 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.68 3k1z h GLN 100 CO -0.03 0.82 0.17 -0.07 -0.67 0.00 0.00 178.83 179.06 3k1z h LEU 101 N 0.85 1.04 -0.39 1.46 3.38 -0.90 0.21 115.31 120.95 3k1z h LEU 101 Ca 0.18 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3k1z h LEU 101 Cb 0.36 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3k1z h LEU 101 CO 0.01 0.99 0.16 0.22 0.09 0.00 0.00 178.44 179.90 3k1z h TYR 102 N 1.04 0.60 -0.07 1.13 3.20 -0.91 -2.13 116.97 119.84 3k1z h TYR 102 Ca 0.22 -0.04 -0.03 0.00 3.14 0.00 0.00 58.73 62.02 3k1z h TYR 102 Cb 0.35 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.44 3k1z h TYR 102 CO 0.03 0.53 -0.06 -0.22 -1.64 0.00 0.00 178.16 176.80 3k1z h LYS 103 N 0.49 0.15 -0.18 1.82 3.64 -1.07 -3.21 116.57 118.22 3k1z h LYS 103 Ca 0.13 -0.08 0.05 0.00 -1.27 0.00 0.00 60.65 59.48 3k1z h LYS 103 Cb 0.19 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 3k1z h LYS 103 CO -0.01 0.59 0.14 -0.44 -2.27 0.00 0.00 179.45 177.45 3k1z h ASP 104 N -0.27 0.00 -0.76 4.20 3.32 -0.54 -2.20 116.42 120.17 3k1z h ASP 104 Ca 0.01 0.00 0.22 0.00 0.02 0.00 0.00 57.03 57.28 3k1z h ASP 104 Cb 0.55 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.07 3k1z h ASP 104 CO 0.01 0.00 0.55 0.15 -1.72 0.00 0.00 179.24 178.24 3k1z h PHE 105 N 0.00 0.00 0.00 4.55 3.57 -1.38 -1.22 116.94 122.46 3k1z h PHE 105 Ca 0.09 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.59 3k1z h PHE 105 Cb 0.36 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.10 3k1z h PHE 105 CO 0.00 0.00 -0.60 0.77 -2.23 0.00 0.00 178.31 176.25 3k1z h SER 106 N 0.00 0.00 -3.62 0.41 0.02 -1.57 -3.47 113.55 105.32 3k1z h SER 106 Ca 0.36 -0.17 -0.52 0.00 -0.84 0.00 0.00 61.79 60.62 3k1z h SER 106 Cb 1.47 0.00 0.02 0.00 0.14 0.00 0.00 62.40 64.03 3k1z h SER 106 CO -0.00 0.08 0.55 -2.28 -1.14 0.00 0.00 176.83 174.04 3k1z s HIS 107 N -3.18 3.42 0.59 3.45 5.65 -0.46 -4.39 115.29 120.37 3k1z s HIS 107 Ca 0.06 1.49 0.30 0.00 0.25 0.00 0.00 55.06 57.16 3k1z s HIS 107 Cb 0.13 -3.42 1.80 0.00 -1.18 0.00 0.00 32.58 29.90 3k1z s HIS 107 CO 0.72 -1.12 2.23 -1.00 -0.65 0.00 0.00 174.74 174.92 3k1z h PRO 108 N 4.63 0.00 0.00 2.88 0.13 -1.87 -1.56 132.00 136.21 3k1z h PRO 108 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3k1z h PRO 108 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3k1z h PRO 108 CO 0.71 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.48 3k1z h THR 110 N 0.00 0.00 -3.04 0.00 2.02 -1.53 -3.46 112.91 106.91 3k1z h THR 110 Ca 0.00 -0.70 -0.64 0.00 0.77 0.00 0.00 66.41 65.84 3k1z h THR 110 Cb 0.33 1.69 -0.18 0.00 -1.74 0.00 0.00 68.15 68.25 3k1z h THR 110 CO 0.00 0.00 -0.81 0.26 0.37 0.00 0.00 175.52 175.34 3k1z s TRP 111 N -3.45 2.26 -0.15 3.16 0.52 -0.75 -1.28 118.94 119.24 3k1z s TRP 111 Ca 0.04 -0.36 0.02 0.00 0.02 0.00 0.00 56.10 55.81 3k1z s TRP 111 Cb 0.07 -1.09 0.01 0.00 -1.15 0.00 0.00 33.47 31.31 3k1z s TRP 111 CO 0.59 0.52 -0.21 -1.14 0.02 0.00 0.00 176.95 176.73 3k1z s GLN 112 N -2.83 3.02 -0.01 4.98 2.00 0.03 -4.72 119.66 122.13 3k1z s GLN 112 Ca 0.22 -0.84 -0.30 0.00 -2.00 0.00 0.00 55.36 52.44 3k1z s GLN 112 Cb -0.07 -2.49 -0.04 0.00 0.80 0.00 0.00 33.01 31.21 3k1z s GLN 112 CO 0.10 -0.08 1.13 0.08 -0.50 0.00 0.00 175.29 176.02 3k1z s VAL 113 N 0.98 4.39 0.46 1.34 1.01 -1.26 -1.55 120.40 125.77 3k1z s VAL 113 Ca -0.03 1.71 -0.23 0.00 0.00 0.00 0.00 61.98 63.43 3k1z s VAL 113 Cb -0.15 -4.10 -0.07 0.00 0.00 0.00 0.00 36.38 32.07 3k1z s VAL 113 CO -0.06 0.07 1.22 -0.76 0.00 0.00 0.00 175.10 175.57 3k1z s LEU 114 N 1.55 4.02 0.24 3.92 1.43 -0.09 -4.91 118.68 124.84 3k1z s LEU 114 Ca 0.55 2.43 -0.31 0.00 -1.03 0.00 0.00 54.13 55.77 3k1z s LEU 114 Cb -0.25 -4.19 -0.13 0.00 0.03 0.00 0.00 46.19 41.66 3k1z s LEU 114 CO 0.25 -1.01 1.45 0.47 0.23 0.00 0.00 176.35 177.74 3k1z n ASP 115 N -0.46 2.94 0.00 2.29 9.92 -1.26 -1.77 116.55 128.20 3k1z n ASP 115 Ca 0.07 1.14 0.00 0.00 -0.53 0.00 0.00 54.79 55.47 3k1z n ASP 115 Cb 0.47 -1.45 0.00 0.00 -0.64 0.00 0.00 41.12 39.50 3k1z n ASP 115 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3k1z n GLY 116 N 2.24 1.94 0.06 0.44 0.00 -1.26 -4.89 105.19 103.72 3k1z n GLY 116 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 3k1z n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k1z h ALA 117 N 0.00 0.04 -0.57 4.61 0.00 -1.66 -1.36 119.26 120.32 3k1z h ALA 117 Ca 0.00 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.68 3k1z h ALA 117 Cb 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3k1z h ALA 117 CO 0.00 -0.30 0.08 1.49 0.00 0.00 0.00 179.25 180.52 3k1z h GLU 118 N -0.24 0.92 -0.77 0.00 4.81 -1.90 -1.46 114.58 115.94 3k1z h GLU 118 Ca 0.01 -0.23 0.01 0.00 -0.13 0.00 0.00 59.36 59.01 3k1z h GLU 118 Cb 0.31 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.54 3k1z h GLU 118 CO 0.00 0.87 0.50 -0.44 -0.73 0.00 0.00 179.01 179.21 3k1z h ASP 119 N 0.87 0.89 -0.27 1.04 3.32 -1.93 -0.86 116.42 119.48 3k1z h ASP 119 Ca 0.18 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 3k1z h ASP 119 Cb 0.41 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 3k1z h ASP 119 CO 0.01 0.65 0.02 0.74 -1.72 0.00 0.00 179.24 178.94 3k1z h THR 120 N 1.04 1.25 -0.63 0.35 2.02 -0.65 -0.67 112.91 115.62 3k1z h THR 120 Ca 0.28 -0.87 0.02 0.00 0.77 0.00 0.00 66.41 66.62 3k1z h THR 120 Cb -0.11 1.29 -0.04 0.00 -1.74 0.00 0.00 68.15 67.55 3k1z h THR 120 CO -0.06 0.28 0.40 -0.07 0.37 0.00 0.00 175.52 176.43 3k1z h LEU 121 N 0.26 0.65 -0.68 2.58 3.38 -0.95 -1.20 115.31 119.34 3k1z h LEU 121 Ca 0.08 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3k1z h LEU 121 Cb 0.39 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 3k1z h LEU 121 CO 0.01 0.46 0.30 0.03 0.09 0.00 0.00 178.44 179.33 3k1z h ARG 122 N 0.78 1.00 -0.46 1.13 3.08 -1.03 -1.84 114.38 117.04 3k1z h ARG 122 Ca 0.25 -0.16 -0.10 0.00 0.07 0.00 0.00 59.98 60.04 3k1z h ARG 122 Cb 0.00 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 3k1z h ARG 122 CO -0.10 0.81 -0.10 1.49 -1.07 0.00 0.00 179.97 181.00 3k1z h GLU 123 N 0.96 0.84 -0.51 0.04 4.81 -0.81 -1.07 114.58 118.84 3k1z h GLU 123 Ca 0.23 -0.28 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 3k1z h GLU 123 Cb 0.16 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 3k1z h GLU 123 CO -0.02 0.90 0.29 0.00 -0.73 0.00 0.00 179.01 179.45 3k1z h ARG 125 N 0.68 0.91 0.00 0.00 3.08 -1.03 -2.29 114.38 115.73 3k1z h ARG 125 Ca 0.18 -0.30 -0.04 0.00 0.07 0.00 0.00 59.98 59.90 3k1z h ARG 125 Cb 0.01 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 3k1z h ARG 125 CO -0.03 0.94 -0.17 1.79 -1.07 0.00 0.00 179.97 181.43 3k1z h THR 126 N 0.83 0.56 0.00 2.04 1.35 -0.96 0.12 112.91 116.84 3k1z h THR 126 Ca 0.14 -0.82 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 3k1z h THR 126 Cb 0.58 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 3k1z h THR 126 CO 0.04 0.17 0.00 0.54 -0.25 0.00 0.00 175.52 176.01 3k1z n ARG 127 N -3.51 0.05 -0.22 4.72 1.74 -0.79 -4.91 116.66 113.73 3k1z n ARG 127 Ca -0.01 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.18 3k1z n ARG 127 Cb 0.33 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 3k1z n ARG 127 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3k1z n GLY 128 N 0.80 0.74 3.77 -0.13 0.00 0.41 -5.06 105.19 105.71 3k1z n GLY 128 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 3k1z n GLY 128 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k1z s LEU 129 N 0.00 4.41 0.19 0.99 1.43 -0.89 -4.98 118.68 119.83 3k1z s LEU 129 Ca 0.00 2.43 -0.25 0.00 -1.03 0.00 0.00 54.13 55.27 3k1z s LEU 129 Cb 0.00 -3.74 -0.08 0.00 0.03 0.00 0.00 46.19 42.39 3k1z s LEU 129 CO 0.00 -0.41 0.80 -0.13 0.23 0.00 0.00 176.35 176.83 3k1z s ARG 130 N -1.79 4.56 0.08 1.70 1.81 -0.21 -4.36 118.95 120.74 3k1z s ARG 130 Ca 0.49 1.17 0.08 0.00 -1.72 0.00 0.00 55.73 55.76 3k1z s ARG 130 Cb -0.34 -3.19 -0.04 0.00 -0.45 0.00 0.00 34.95 30.93 3k1z s ARG 130 CO 0.44 0.53 -0.20 -0.51 -0.68 0.00 0.00 175.30 174.88 3k1z s LEU 131 N -1.30 2.54 0.16 2.53 1.43 -1.26 -0.84 118.68 121.94 3k1z s LEU 131 Ca 0.38 -0.53 -0.13 0.00 -1.03 0.00 0.00 54.13 52.82 3k1z s LEU 131 Cb -0.22 -1.45 0.01 0.00 0.03 0.00 0.00 46.19 44.55 3k1z s LEU 131 CO 0.26 0.22 0.38 0.00 0.23 0.00 0.00 176.35 177.44 3k1z s ALA 132 N -0.99 -0.51 -0.10 4.21 0.00 -0.80 -0.13 121.76 123.44 3k1z s ALA 132 Ca 0.15 -0.49 -0.03 0.00 0.00 0.00 0.00 51.96 51.59 3k1z s ALA 132 Cb -0.10 0.79 -0.03 0.00 0.00 0.00 0.00 23.12 23.78 3k1z s ALA 132 CO 0.06 -0.69 0.02 0.08 0.00 0.00 0.00 175.76 175.23 3k1z s VAL 133 N -3.90 4.44 -0.20 0.00 1.01 -0.78 -0.88 120.40 120.09 3k1z s VAL 133 Ca 0.11 -0.19 -0.01 0.00 0.00 0.00 0.00 61.98 61.88 3k1z s VAL 133 Cb 0.02 -2.89 0.06 0.00 0.00 0.00 0.00 36.38 33.56 3k1z s VAL 133 CO -0.04 0.58 -0.01 -0.63 0.00 0.00 0.00 175.10 175.00 3k1z s ILE 134 N -0.68 0.97 0.02 2.22 1.01 -0.15 -0.90 121.20 123.69 3k1z s ILE 134 Ca 0.11 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 59.98 3k1z s ILE 134 Cb -0.12 -1.33 -0.01 0.00 0.01 0.00 0.00 42.46 41.01 3k1z s ILE 134 CO 0.02 -0.10 -0.02 -0.55 0.00 0.00 0.00 174.94 174.29 3k1z s SER 135 N 1.66 0.20 -0.08 3.58 0.15 -0.45 -3.78 113.70 114.98 3k1z s SER 135 Ca -0.02 -0.37 0.02 0.00 0.70 0.00 0.00 55.95 56.28 3k1z s SER 135 Cb -0.17 0.07 0.17 0.00 -1.71 0.00 0.00 66.02 64.37 3k1z s SER 135 CO -0.07 -0.21 1.02 0.59 1.20 0.00 0.00 173.24 175.76 3k1z n ASN 136 N 1.99 2.69 -4.91 5.45 3.02 -1.26 -0.74 115.26 121.50 3k1z n ASN 136 Ca -0.21 -2.30 -0.27 0.00 -0.03 0.00 0.00 54.58 51.78 3k1z n ASN 136 Cb 0.56 -0.56 0.05 0.00 -0.61 0.00 0.00 39.78 39.22 3k1z n ASN 136 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3k1z s PHE 137 N -1.03 3.11 0.71 3.10 5.36 -1.26 -4.75 117.98 123.22 3k1z s PHE 137 Ca 0.13 0.64 -0.07 0.00 -0.96 0.00 0.00 56.93 56.67 3k1z s PHE 137 Cb 0.10 -3.03 0.15 0.00 -0.34 0.00 0.00 43.02 39.91 3k1z s PHE 137 CO 0.03 -1.18 0.97 -0.40 -1.46 0.00 0.00 175.22 173.18 3k1z n ASP 138 N -2.84 0.59 0.11 6.13 5.68 -1.26 -3.48 116.55 121.47 3k1z n ASP 138 Ca 0.06 -1.66 0.08 0.00 -0.50 0.00 0.00 54.79 52.77 3k1z n ASP 138 Cb 0.59 -0.70 0.41 0.00 -1.14 0.00 0.00 41.12 40.28 3k1z n ASP 138 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 3k1z n ARG 139 N -2.95 0.10 0.06 0.11 1.85 -1.26 -2.50 116.66 112.06 3k1z n ARG 139 Ca 0.14 0.60 0.10 0.00 -1.00 0.00 0.00 57.85 57.68 3k1z n ARG 139 Cb 0.48 -1.82 0.41 0.00 -1.05 0.00 0.00 32.46 30.48 3k1z n ARG 139 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3k1z n ARG 140 N -2.03 0.09 -0.19 2.89 1.74 -1.26 -4.02 116.66 113.88 3k1z n ARG 140 Ca -0.01 0.30 -0.07 0.00 -0.77 0.00 0.00 57.85 57.30 3k1z n ARG 140 Cb 0.03 -1.66 0.02 0.00 -1.02 0.00 0.00 32.46 29.83 3k1z n ARG 140 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3k1z h LEU 141 N 0.00 0.65 -0.44 0.55 5.85 -1.87 -1.64 115.31 118.42 3k1z h LEU 141 Ca 0.00 -0.07 0.09 0.00 0.84 0.00 0.00 57.88 58.74 3k1z h LEU 141 Cb 0.34 -0.16 -0.10 0.00 0.37 0.00 0.00 40.66 41.11 3k1z h LEU 141 CO 0.00 0.53 -0.31 -0.08 -0.34 0.00 0.00 178.44 178.24 3k1z h GLU 142 N 0.72 -0.21 -0.10 1.25 4.57 -1.86 -0.77 114.58 118.18 3k1z h GLU 142 Ca 0.19 0.01 -0.10 0.00 -1.18 0.00 0.00 59.36 58.29 3k1z h GLU 142 Cb 0.00 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 3k1z h GLU 142 CO -0.03 -0.14 -0.39 0.78 -1.18 0.00 0.00 179.01 178.04 3k1z h GLY 143 N -0.22 0.22 0.97 1.92 0.00 -1.74 -0.22 103.07 104.00 3k1z h GLY 143 Ca 0.19 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.31 3k1z h GLY 143 CO -0.56 0.18 -0.07 -2.22 0.00 0.00 0.00 176.54 173.88 3k1z h ILE 144 N 0.17 0.88 -0.80 2.60 2.04 -0.51 -0.58 117.51 121.32 3k1z h ILE 144 Ca 0.02 -0.08 0.03 0.00 1.00 0.00 0.00 64.86 65.83 3k1z h ILE 144 Cb 0.77 0.93 -0.05 0.00 -0.74 0.00 0.00 36.82 37.74 3k1z h ILE 144 CO 0.06 0.02 0.51 -0.07 0.00 0.00 0.00 178.15 178.67 3k1z h LEU 145 N -0.22 0.85 -0.43 1.44 3.38 -0.90 -2.38 115.31 117.04 3k1z h LEU 145 Ca -0.02 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3k1z h LEU 145 Cb 0.17 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3k1z h LEU 145 CO 0.03 0.59 0.15 1.23 0.09 0.00 0.00 178.44 180.53 3k1z h GLY 146 N 1.00 0.71 2.00 0.83 0.00 -0.86 0.40 103.07 107.16 3k1z h GLY 146 Ca 0.32 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 3k1z h GLY 146 CO -0.11 0.38 -0.04 -1.33 0.00 0.00 0.00 176.54 175.45 3k1z h GLY 147 N 0.56 0.00 -0.87 4.60 0.00 -0.88 -2.02 103.07 104.45 3k1z h GLY 147 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 3k1z h GLY 147 CO -0.01 0.00 -0.03 1.04 0.00 0.00 0.00 176.54 177.54 3k1z n LEU 148 N -4.17 1.93 -0.56 3.11 4.77 -0.92 -4.72 117.00 116.45 3k1z n LEU 148 Ca -0.03 -0.64 -0.07 0.00 -0.03 0.00 0.00 56.01 55.24 3k1z n LEU 148 Cb 0.12 -0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.18 3k1z n LEU 148 CO 0.32 0.32 -0.07 0.61 -1.33 0.00 0.00 177.39 177.24 3k1z n GLY 149 N 1.24 0.77 0.01 -0.72 0.00 -0.76 -4.93 105.19 100.80 3k1z n GLY 149 Ca 0.17 -0.72 0.09 0.00 0.00 0.00 0.00 46.02 45.56 3k1z n GLY 149 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3k1z n LEU 150 N -0.80 0.36 0.15 0.99 4.77 0.08 -4.51 117.00 118.04 3k1z n LEU 150 Ca -0.07 -0.20 0.06 0.00 -0.03 0.00 0.00 56.01 55.76 3k1z n LEU 150 Cb 0.28 0.00 0.52 0.00 -2.33 0.00 0.00 43.42 41.88 3k1z n LEU 150 CO 0.10 0.09 1.06 -0.09 -1.33 0.00 0.00 177.39 177.22 3k1z h ARG 151 N 0.00 0.22 -0.02 3.23 9.65 -1.82 -2.74 114.38 122.90 3k1z h ARG 151 Ca 0.00 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 3k1z h ARG 151 Cb 0.71 -0.05 -0.00 0.00 -1.39 0.00 0.00 29.97 29.24 3k1z h ARG 151 CO 0.00 0.19 0.04 1.05 2.80 0.00 0.00 179.97 184.05 3k1z h GLU 152 N 0.23 0.00 0.00 0.20 4.11 -1.90 -2.27 114.58 114.94 3k1z h GLU 152 Ca 0.06 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.49 3k1z h GLU 152 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3k1z h GLU 152 CO -0.01 0.00 0.00 0.45 0.07 0.00 0.00 179.01 179.52 3k1z h HIS 153 N 0.00 0.00 -3.52 2.06 3.86 -1.81 -3.46 115.15 112.28 3k1z h HIS 153 Ca 0.01 0.00 -0.68 0.00 -1.16 0.00 0.00 60.37 58.54 3k1z h HIS 153 Cb 0.08 0.00 -0.17 0.00 1.06 0.00 0.00 27.41 28.39 3k1z h HIS 153 CO 0.00 0.00 -0.67 -0.06 0.86 0.00 0.00 177.93 178.06 3k1z s PHE 154 N -3.19 3.02 0.17 2.45 0.08 -0.86 -4.47 117.98 115.19 3k1z s PHE 154 Ca 0.08 0.08 0.03 0.00 0.12 0.00 0.00 56.93 57.24 3k1z s PHE 154 Cb 0.07 -1.72 0.01 0.00 -0.57 0.00 0.00 43.02 40.81 3k1z s PHE 154 CO 0.65 0.39 1.39 -0.44 -0.10 0.00 0.00 175.22 177.11 3k1z h ASP 155 N 5.05 0.23 -5.02 1.36 3.32 -0.84 -3.47 116.42 117.05 3k1z h ASP 155 Ca -0.49 -0.19 0.01 0.00 0.02 0.00 0.00 57.03 56.38 3k1z h ASP 155 Cb 1.18 -0.07 -0.09 0.00 0.22 0.00 0.00 39.33 40.56 3k1z h ASP 155 CO 0.54 0.98 0.17 0.72 -1.72 0.00 0.00 179.24 179.93 3k1z s PHE 156 N -3.22 -0.33 -0.27 4.55 -0.12 -1.26 -5.08 117.98 112.25 3k1z s PHE 156 Ca -0.03 0.00 0.01 0.00 -0.05 0.00 0.00 56.93 56.87 3k1z s PHE 156 Cb 0.10 0.57 0.08 0.00 -0.63 0.00 0.00 43.02 43.13 3k1z s PHE 156 CO 0.82 -0.99 -0.00 0.08 -0.05 0.00 0.00 175.22 175.08 3k1z s VAL 157 N -3.83 1.53 -0.43 -2.49 1.01 -1.26 -1.87 120.40 113.05 3k1z s VAL 157 Ca 0.06 -1.46 -0.13 0.00 0.00 0.00 0.00 61.98 60.45 3k1z s VAL 157 Cb -0.03 -1.93 0.06 0.00 0.00 0.00 0.00 36.38 34.48 3k1z s VAL 157 CO -0.04 -0.31 0.32 -0.22 0.00 0.00 0.00 175.10 174.84 3k1z s LEU 158 N 1.35 5.27 0.36 3.92 2.96 -0.08 -4.98 118.68 127.48 3k1z s LEU 158 Ca 0.01 -1.23 0.00 0.00 -0.22 0.00 0.00 54.13 52.69 3k1z s LEU 158 Cb -0.19 -2.11 -0.03 0.00 0.50 0.00 0.00 46.19 44.36 3k1z s LEU 158 CO -0.10 -0.54 0.57 0.42 -1.32 0.00 0.00 176.35 175.38 3k1z s THR 159 N 1.59 5.04 0.42 3.68 -4.23 -1.26 -1.35 115.64 119.54 3k1z s THR 159 Ca 0.04 -0.41 0.08 0.00 -1.18 0.00 0.00 61.69 60.21 3k1z s THR 159 Cb -0.22 -3.85 0.26 0.00 1.34 0.00 0.00 72.50 70.03 3k1z s THR 159 CO 0.06 -0.57 2.07 0.77 -0.54 0.00 0.00 174.62 176.41 3k1z h SER 160 N 0.70 0.40 -0.09 3.99 4.64 -0.97 0.68 113.55 122.89 3k1z h SER 160 Ca -0.49 -0.01 0.02 0.00 -0.47 0.00 0.00 61.79 60.83 3k1z h SER 160 Cb 1.22 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 63.19 3k1z h SER 160 CO 0.61 0.30 -0.02 -0.08 -0.87 0.00 0.00 176.83 176.77 3k1z h GLU 161 N 0.47 0.01 -0.38 4.77 4.81 -1.85 -0.51 114.58 121.89 3k1z h GLU 161 Ca 0.12 -0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.22 3k1z h GLU 161 Cb -0.04 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 3k1z h GLU 161 CO -0.03 0.00 -0.29 0.00 -0.73 0.00 0.00 179.01 177.96 3k1z h ALA 162 N 1.09 0.77 -0.00 2.92 0.00 -1.70 -3.19 119.26 119.14 3k1z h ALA 162 Ca 0.04 -0.41 -0.15 0.00 0.00 0.00 0.00 54.91 54.40 3k1z h ALA 162 Cb 0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3k1z h ALA 162 CO -0.09 0.65 -0.70 0.00 0.00 0.00 0.00 179.25 179.11 3k1z h ALA 163 N 0.97 0.84 0.00 0.00 0.00 -0.84 -3.48 119.26 116.75 3k1z h ALA 163 Ca 0.08 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.35 3k1z h ALA 163 Cb 0.84 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3k1z h ALA 163 CO 0.07 0.87 0.00 0.41 0.00 0.00 0.00 179.25 180.60 3k1z n GLY 164 N 0.48 1.01 3.11 0.00 0.00 -0.21 -4.95 105.19 104.64 3k1z n GLY 164 Ca -0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.89 3k1z n GLY 164 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3k1z s TRP 165 N -3.37 -0.20 0.42 1.61 0.52 -1.21 -5.03 118.94 111.69 3k1z s TRP 165 Ca 0.00 0.47 -0.04 0.00 0.02 0.00 0.00 56.10 56.55 3k1z s TRP 165 Cb 0.00 0.07 -0.04 0.00 -1.15 0.00 0.00 33.47 32.35 3k1z s TRP 165 CO 0.00 -0.16 0.69 -1.25 0.02 0.00 0.00 176.95 176.25 3k1z s PRO 166 N -0.18 3.54 0.40 4.98 0.04 -1.26 -4.50 135.00 138.02 3k1z s PRO 166 Ca -0.03 0.03 -0.26 0.00 0.04 0.00 0.00 61.00 60.77 3k1z s PRO 166 Cb -0.03 -2.49 -0.10 0.00 0.04 0.00 0.00 34.50 31.92 3k1z s PRO 166 CO 0.01 -0.05 1.31 1.63 0.04 0.00 0.00 177.00 179.94 3k1z n LYS 167 N -1.96 2.09 -0.38 4.56 5.02 -1.26 -0.50 118.16 125.72 3k1z n LYS 167 Ca -0.01 0.74 0.07 0.00 -2.02 0.00 0.00 58.31 57.08 3k1z n LYS 167 Cb 0.55 -2.42 0.24 0.00 -0.02 0.00 0.00 35.03 33.38 3k1z n LYS 167 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3k1z n PRO 168 N 0.20 2.68 -1.69 1.97 -0.04 -1.26 -4.88 135.00 131.98 3k1z n PRO 168 Ca 0.05 -1.88 -0.45 0.00 -0.04 0.00 0.00 63.50 61.18 3k1z n PRO 168 Cb 0.39 -1.61 -0.03 0.00 -0.04 0.00 0.00 33.50 32.20 3k1z n PRO 168 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3k1z n ASP 169 N 0.74 3.22 0.03 3.54 2.03 0.34 -4.72 116.55 121.73 3k1z n ASP 169 Ca 0.17 1.10 0.19 0.00 0.52 0.00 0.00 54.79 56.78 3k1z n ASP 169 Cb 0.59 -1.47 0.69 0.00 -0.72 0.00 0.00 41.12 40.21 3k1z n ASP 169 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3k1z h PRO 170 N 5.46 0.00 -0.15 -0.67 0.11 -1.88 -2.66 132.00 132.20 3k1z h PRO 170 Ca -0.45 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 3k1z h PRO 170 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3k1z h PRO 170 CO 0.85 0.00 -0.02 0.00 -0.21 0.00 0.00 178.00 178.63 3k1z h ARG 171 N 0.00 0.22 -0.32 1.05 3.08 -1.93 -0.02 114.38 116.46 3k1z h ARG 171 Ca 0.23 -0.03 -0.12 0.00 0.07 0.00 0.00 59.98 60.13 3k1z h ARG 171 Cb 0.93 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.94 3k1z h ARG 171 CO -0.00 0.26 -0.26 0.97 -1.07 0.00 0.00 179.97 179.87 3k1z h ILE 172 N 0.22 1.29 -0.44 2.04 2.10 -1.73 -1.33 117.51 119.66 3k1z h ILE 172 Ca 0.05 -1.41 -0.05 0.00 1.08 0.00 0.00 64.86 64.53 3k1z h ILE 172 Cb 0.18 1.49 -0.02 0.00 -1.09 0.00 0.00 36.82 37.38 3k1z h ILE 172 CO 0.00 0.46 0.10 -0.26 -1.08 0.00 0.00 178.15 177.37 3k1z h PHE 173 N 0.51 0.74 -0.94 2.19 0.04 -1.53 -1.79 116.94 116.16 3k1z h PHE 173 Ca 0.06 -0.09 0.02 0.00 2.80 0.00 0.00 57.97 60.75 3k1z h PHE 173 Cb 0.82 -0.21 -0.05 0.00 2.20 0.00 0.00 35.95 38.72 3k1z h PHE 173 CO 0.07 0.70 0.62 1.96 -0.60 0.00 0.00 178.31 181.05 3k1z h GLN 174 N 0.57 1.21 -0.60 1.51 4.20 -0.98 -1.00 115.11 120.03 3k1z h GLN 174 Ca 0.14 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.72 3k1z h GLN 174 Cb 0.34 -0.27 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 3k1z h GLN 174 CO 0.00 0.80 0.17 1.49 -0.67 0.00 0.00 178.83 180.62 3k1z h GLU 175 N 1.24 0.94 -0.64 1.46 4.57 -0.96 -0.54 114.58 120.65 3k1z h GLU 175 Ca 0.35 -0.21 0.01 0.00 -1.18 0.00 0.00 59.36 58.33 3k1z h GLU 175 Cb -0.11 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.32 3k1z h GLU 175 CO -0.09 0.85 0.42 0.00 -1.18 0.00 0.00 179.01 179.01 3k1z h ALA 176 N 1.05 0.82 -0.47 2.92 0.00 -0.82 -0.60 119.26 122.15 3k1z h ALA 176 Ca 0.19 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 3k1z h ALA 176 Cb 0.32 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3k1z h ALA 176 CO -0.00 0.21 -0.02 -0.07 0.00 0.00 0.00 179.25 179.37 3k1z h LEU 177 N 0.84 0.77 -0.27 0.00 3.38 -0.93 -1.13 115.31 117.98 3k1z h LEU 177 Ca 0.24 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3k1z h LEU 177 Cb -0.07 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 3k1z h LEU 177 CO -0.07 0.85 0.12 -0.09 0.09 0.00 0.00 178.44 179.34 3k1z h ARG 178 N 0.74 0.39 -0.29 1.13 2.43 -0.68 -1.09 114.38 117.01 3k1z h ARG 178 Ca 0.14 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 3k1z h ARG 178 Cb 0.48 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 3k1z h ARG 178 CO 0.02 0.41 0.13 -0.07 -1.51 0.00 0.00 179.97 178.95 3k1z h LEU 179 N 0.29 0.35 0.00 3.80 3.38 -0.82 -2.20 115.31 120.11 3k1z h LEU 179 Ca 0.09 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3k1z h LEU 179 Cb 0.16 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3k1z h LEU 179 CO -0.01 0.31 -0.29 0.00 0.09 0.00 0.00 178.44 178.55 3k1z n ALA 180 N -2.49 2.83 -3.00 1.53 0.00 -0.45 -5.10 120.51 113.83 3k1z n ALA 180 Ca 0.01 -0.20 -0.08 0.00 0.00 0.00 0.00 53.44 53.18 3k1z n ALA 180 Cb 0.12 -1.30 0.01 0.00 0.00 0.00 0.00 19.45 18.28 3k1z n ALA 180 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3k1z n HIS 181 N -1.74 -2.61 -4.47 0.00 8.25 -0.43 -5.07 115.22 109.16 3k1z n HIS 181 Ca 0.06 1.12 -0.29 0.00 -0.26 0.00 0.00 57.72 58.34 3k1z n HIS 181 Cb 0.37 -2.86 -0.13 0.00 1.12 0.00 0.00 29.99 28.49 3k1z n HIS 181 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3k1z s GLU 183 N -1.79 1.56 0.37 -0.41 0.41 -1.26 -5.05 118.70 112.53 3k1z s GLU 183 Ca 0.11 -1.27 0.08 0.00 -0.41 0.00 0.00 54.97 53.48 3k1z s GLU 183 Cb -0.02 -1.96 0.79 0.00 -1.78 0.00 0.00 34.13 31.16 3k1z s GLU 183 CO 0.58 0.47 1.93 -1.35 -0.49 0.00 0.00 175.26 176.40 3k1z h PRO 184 N 4.03 0.68 0.00 0.39 0.11 -1.86 -2.78 132.00 132.58 3k1z h PRO 184 Ca -0.50 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3k1z h PRO 184 Cb 1.16 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3k1z h PRO 184 CO 0.41 0.45 0.00 -0.39 -0.21 0.00 0.00 178.00 178.27 3k1z h VAL 185 N 0.70 0.00 -0.63 3.15 -1.51 -1.92 -1.07 116.25 114.98 3k1z h VAL 185 Ca 0.35 -0.28 0.00 0.00 -1.23 0.00 0.00 66.70 65.54 3k1z h VAL 185 Cb 0.43 1.09 0.00 0.00 -2.13 0.00 0.00 31.29 30.68 3k1z h VAL 185 CO -0.13 0.00 0.00 1.33 -1.23 0.00 0.00 177.57 177.54 3k1z n VAL 186 N -2.56 0.86 -5.08 7.19 0.24 -1.05 -4.85 118.33 113.08 3k1z n VAL 186 Ca 0.01 -0.93 -0.32 0.00 -2.04 0.00 0.00 64.34 61.06 3k1z n VAL 186 Cb 0.23 0.64 -0.15 0.00 -1.47 0.00 0.00 33.84 33.09 3k1z n VAL 186 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3k1z s ALA 187 N -1.14 2.42 -0.03 2.33 0.00 -0.40 -0.42 121.76 124.52 3k1z s ALA 187 Ca 0.45 -1.03 0.05 0.00 0.00 0.00 0.00 51.96 51.43 3k1z s ALA 187 Cb 0.24 -0.80 -0.01 0.00 0.00 0.00 0.00 23.12 22.56 3k1z s ALA 187 CO 0.32 0.51 -0.17 0.00 0.00 0.00 0.00 175.76 176.42 3k1z s ALA 188 N -0.55 1.46 -0.00 0.00 0.00 -0.20 -1.20 121.76 121.27 3k1z s ALA 188 Ca 0.08 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.34 3k1z s ALA 188 Cb -0.11 -0.42 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 3k1z s ALA 188 CO 0.01 0.32 -0.02 -1.58 0.00 0.00 0.00 175.76 174.49 3k1z s HIS 189 N -0.21 3.03 -0.09 0.00 5.04 -0.16 -0.46 115.29 122.45 3k1z s HIS 189 Ca 0.02 0.06 0.02 0.00 -1.54 0.00 0.00 55.06 53.61 3k1z s HIS 189 Cb -0.09 -1.66 0.01 0.00 0.04 0.00 0.00 32.58 30.89 3k1z s HIS 189 CO 0.01 0.44 -0.13 0.08 -2.34 0.00 0.00 174.74 172.79 3k1z s VAL 190 N -1.05 1.32 0.09 0.89 1.01 0.35 -0.85 120.40 122.16 3k1z s VAL 190 Ca 0.19 -0.55 -0.10 0.00 0.00 0.00 0.00 61.98 61.51 3k1z s VAL 190 Cb -0.11 -1.21 0.04 0.00 0.00 0.00 0.00 36.38 35.09 3k1z s VAL 190 CO 0.09 0.40 0.50 0.61 0.00 0.00 0.00 175.10 176.70 3k1z n GLY 191 N 4.10 0.98 0.54 4.51 0.00 -1.06 -1.33 105.19 112.92 3k1z n GLY 191 Ca -0.20 -1.03 0.06 0.00 0.00 0.00 0.00 46.02 44.85 3k1z n GLY 191 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3k1z n ASP 192 N -0.94 2.31 -4.38 1.61 5.75 -1.26 -0.97 116.55 118.67 3k1z n ASP 192 Ca -0.01 -1.66 -0.35 0.00 -0.01 0.00 0.00 54.79 52.76 3k1z n ASP 192 Cb 0.28 -0.08 -0.13 0.00 -1.03 0.00 0.00 41.12 40.16 3k1z n ASP 192 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 3k1z s ASN 193 N -0.98 4.45 0.13 -1.12 3.84 -1.26 -4.80 114.94 115.20 3k1z s ASN 193 Ca 0.17 -0.30 -0.23 0.00 0.21 0.00 0.00 52.86 52.71 3k1z s ASN 193 Cb 0.11 -1.75 -0.04 0.00 -0.55 0.00 0.00 41.25 39.02 3k1z s ASN 193 CO 0.15 0.05 1.67 0.22 -2.79 0.00 0.00 177.10 176.40 3k1z h TYR 194 N 7.58 -0.38 0.11 0.43 3.20 -1.95 0.26 116.97 126.23 3k1z h TYR 194 Ca -0.36 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.52 3k1z h TYR 194 Cb 1.18 0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.63 3k1z h TYR 194 CO 0.57 -0.22 -0.05 1.25 -1.64 0.00 0.00 178.16 178.07 3k1z h LEU 195 N -0.21 -0.13 -0.01 2.82 5.85 -1.96 -0.58 115.31 121.10 3k1z h LEU 195 Ca 0.08 -0.29 -0.27 0.00 0.84 0.00 0.00 57.88 58.24 3k1z h LEU 195 Cb 0.32 0.03 0.02 0.00 0.37 0.00 0.00 40.66 41.40 3k1z h LEU 195 CO -0.21 0.23 -1.09 0.00 -0.34 0.00 0.00 178.44 177.04 3k1z n ASP 197 N -3.79 1.74 -0.08 0.00 8.00 0.88 -4.08 116.55 119.21 3k1z n ASP 197 Ca -0.10 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.32 3k1z n ASP 197 Cb 0.91 1.48 -0.03 0.00 -0.02 0.00 0.00 41.12 43.46 3k1z n ASP 197 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3k1z n TYR 198 N -2.10 0.18 -0.07 1.24 9.36 -0.79 -4.56 117.16 120.42 3k1z n TYR 198 Ca -0.07 0.08 -0.13 0.00 3.32 0.00 0.00 57.90 61.10 3k1z n TYR 198 Cb 0.49 -0.52 -0.06 0.00 -0.63 0.00 0.00 39.34 38.61 3k1z n TYR 198 CO 0.00 0.00 0.00 1.96 0.22 0.00 0.00 176.86 179.04 3k1z h GLN 199 N -0.94 0.47 -0.20 2.98 4.20 -1.16 -3.19 115.11 117.27 3k1z h GLN 199 Ca 0.00 -0.25 0.06 0.00 0.06 0.00 0.00 58.65 58.52 3k1z h GLN 199 Cb 0.84 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.57 3k1z h GLN 199 CO 0.00 0.82 -0.29 0.78 -0.67 0.00 0.00 178.83 179.47 3k1z h GLY 200 N 0.13 -0.31 1.26 3.46 0.00 -1.38 -1.81 103.07 104.42 3k1z h GLY 200 Ca 0.03 0.36 -0.07 0.00 0.00 0.00 0.00 47.33 47.65 3k1z h GLY 200 CO 0.05 -0.21 0.08 -2.55 0.00 0.00 0.00 176.54 173.91 3k1z h PRO 201 N -0.32 0.91 0.00 4.80 0.11 -1.77 -2.81 132.00 132.92 3k1z h PRO 201 Ca 0.12 -0.22 -0.04 0.00 0.11 0.00 0.00 66.00 65.97 3k1z h PRO 201 Cb 0.51 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.50 3k1z h PRO 201 CO -0.39 0.85 -0.20 0.00 -0.21 0.00 0.00 178.00 178.06 3k1z h ARG 202 N 0.86 0.00 0.00 1.05 3.08 -1.43 -2.00 114.38 115.94 3k1z h ARG 202 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 3k1z h ARG 202 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.44 3k1z h ARG 202 CO 0.01 0.20 0.00 0.00 -1.07 0.00 0.00 179.97 179.11 3k1z h ALA 203 N 1.80 1.00 -0.47 0.04 0.00 -1.06 -2.19 119.26 118.38 3k1z h ALA 203 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3k1z h ALA 203 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3k1z h ALA 203 CO 0.03 0.00 0.00 1.33 0.00 0.00 0.00 179.25 180.61 3k1z n VAL 204 N -2.99 0.90 -0.49 0.00 0.24 -0.77 -5.09 118.33 110.13 3k1z n VAL 204 Ca 0.00 -0.95 0.00 0.00 -2.04 0.00 0.00 64.34 61.35 3k1z n VAL 204 Cb 0.26 0.59 0.00 0.00 -1.47 0.00 0.00 33.84 33.22 3k1z n VAL 204 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3k1z n GLY 205 N 1.01 0.41 3.68 7.63 0.00 -0.83 -4.77 105.19 112.31 3k1z n GLY 205 Ca 0.17 -0.54 -0.24 0.00 0.00 0.00 0.00 46.02 45.40 3k1z n GLY 205 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3k1z s HIS 207 N -1.85 2.81 0.00 1.61 0.09 -0.34 -3.80 115.29 113.80 3k1z s HIS 207 Ca 0.00 -0.18 -0.20 0.00 -0.00 0.00 0.00 55.06 54.68 3k1z s HIS 207 Cb 0.00 -1.29 0.04 0.00 -0.00 0.00 0.00 32.58 31.33 3k1z s HIS 207 CO 0.00 0.57 0.43 -1.54 -0.00 0.00 0.00 174.74 174.21 3k1z s SER 208 N -3.46 -0.33 -0.04 1.40 1.04 -1.26 -0.98 113.70 110.06 3k1z s SER 208 Ca 0.30 0.18 0.02 0.00 0.48 0.00 0.00 55.95 56.94 3k1z s SER 208 Cb -0.08 0.41 0.01 0.00 0.10 0.00 0.00 66.02 66.46 3k1z s SER 208 CO 0.20 -0.58 -0.10 -0.36 0.98 0.00 0.00 173.24 173.39 3k1z s PHE 209 N -1.79 1.10 -0.25 5.02 0.08 -0.03 -4.89 117.98 117.21 3k1z s PHE 209 Ca -0.09 -0.31 -0.07 0.00 0.12 0.00 0.00 56.93 56.58 3k1z s PHE 209 Cb -0.02 -0.80 -0.02 0.00 -0.57 0.00 0.00 43.02 41.61 3k1z s PHE 209 CO 0.03 -0.15 0.05 -1.17 -0.10 0.00 0.00 175.22 173.88 3k1z s LEU 210 N 0.35 3.43 -0.26 -0.37 2.96 -0.34 -2.57 118.68 121.88 3k1z s LEU 210 Ca -0.06 -0.33 -0.25 0.00 -0.22 0.00 0.00 54.13 53.27 3k1z s LEU 210 Cb -0.11 -1.89 -0.00 0.00 0.50 0.00 0.00 46.19 44.69 3k1z s LEU 210 CO 0.01 -0.06 0.84 -0.69 -1.32 0.00 0.00 176.35 175.13 3k1z s VAL 211 N 1.57 4.80 -0.43 1.68 1.01 -0.15 -0.13 120.40 128.76 3k1z s VAL 211 Ca 0.06 1.48 0.08 0.00 0.00 0.00 0.00 61.98 63.60 3k1z s VAL 211 Cb -0.15 -4.15 -0.07 0.00 0.00 0.00 0.00 36.38 32.00 3k1z s VAL 211 CO 0.02 -0.15 0.37 1.33 0.00 0.00 0.00 175.10 176.67 3k1z n VAL 212 N 5.38 0.00 -3.16 2.92 0.24 -0.08 -4.41 118.33 119.22 3k1z n VAL 212 Ca 0.06 -0.33 0.02 0.00 -2.04 0.00 0.00 64.34 62.05 3k1z n VAL 212 Cb 0.48 1.01 -0.00 0.00 -1.47 0.00 0.00 33.84 33.86 3k1z n VAL 212 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3k1z n GLY 213 N 1.14 -1.89 0.01 7.63 0.00 -0.85 -4.24 105.19 106.99 3k1z n GLY 213 Ca 0.02 -1.35 0.13 0.00 0.00 0.00 0.00 46.02 44.83 3k1z n GLY 213 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3k1z n PRO 214 N -0.94 0.08 -2.44 1.61 -0.04 -1.26 -4.64 135.00 127.36 3k1z n PRO 214 Ca 0.00 -0.03 -0.35 0.00 -0.04 0.00 0.00 63.50 63.08 3k1z n PRO 214 Cb 0.05 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.99 3k1z n PRO 214 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3k1z s GLN 215 N -2.94 3.75 0.59 0.54 1.11 -1.26 -4.98 119.66 116.47 3k1z s GLN 215 Ca 0.15 1.49 -0.18 0.00 0.01 0.00 0.00 55.36 56.83 3k1z s GLN 215 Cb 0.19 -2.18 -0.06 0.00 -1.01 0.00 0.00 33.01 29.94 3k1z s GLN 215 CO 0.59 -0.50 0.82 0.00 0.01 0.00 0.00 175.29 176.22 3k1z n ALA 216 N -0.84 -0.26 -1.77 6.09 0.00 -1.26 -4.88 120.51 117.59 3k1z n ALA 216 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.14 3k1z n ALA 216 Cb 0.51 -2.02 -0.02 0.00 0.00 0.00 0.00 19.45 17.92 3k1z n ALA 216 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3k1z s LEU 217 N -1.08 4.35 0.01 0.00 1.43 -1.26 -5.00 118.68 117.13 3k1z s LEU 217 Ca 0.73 2.46 -0.37 0.00 -1.03 0.00 0.00 54.13 55.92 3k1z s LEU 217 Cb -0.43 -3.81 -0.16 0.00 0.03 0.00 0.00 46.19 41.82 3k1z s LEU 217 CO 0.50 -0.53 1.43 -0.67 0.23 0.00 0.00 176.35 177.31 3k1z n ASP 218 N 0.55 1.84 -0.29 2.29 2.03 -1.26 -4.82 116.55 116.88 3k1z n ASP 218 Ca 0.02 1.11 0.08 0.00 0.52 0.00 0.00 54.79 56.51 3k1z n ASP 218 Cb 0.44 -1.19 0.23 0.00 -0.72 0.00 0.00 41.12 39.89 3k1z n ASP 218 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3k1z h PRO 219 N 5.17 0.52 -0.81 -0.67 0.11 -1.99 -0.55 132.00 133.78 3k1z h PRO 219 Ca -0.47 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 3k1z h PRO 219 Cb 1.33 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 3k1z h PRO 219 CO 0.82 0.34 0.44 0.28 -0.21 0.00 0.00 178.00 179.67 3k1z h VAL 220 N 0.54 1.24 -0.10 3.15 2.07 -1.98 0.75 116.25 121.92 3k1z h VAL 220 Ca 0.47 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 67.38 3k1z h VAL 220 Cb 0.73 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 3k1z h VAL 220 CO -0.41 0.27 0.03 0.58 0.02 0.00 0.00 177.57 178.06 3k1z h VAL 221 N 1.13 1.18 -0.81 2.57 2.07 -1.62 -0.71 116.25 120.06 3k1z h VAL 221 Ca 0.28 -0.56 0.09 0.00 0.82 0.00 0.00 66.70 67.34 3k1z h VAL 221 Cb 0.04 1.38 -0.07 0.00 -1.52 0.00 0.00 31.29 31.11 3k1z h VAL 221 CO -0.04 0.16 0.46 -0.09 0.02 0.00 0.00 177.57 178.08 3k1z h ARG 222 N -0.04 0.76 0.00 1.57 1.12 -0.82 -0.57 114.38 116.40 3k1z h ARG 222 Ca 0.03 -0.05 -0.06 0.00 -1.11 0.00 0.00 59.98 58.79 3k1z h ARG 222 Cb 0.23 -0.17 -0.01 0.00 -0.01 0.00 0.00 29.97 30.01 3k1z h ARG 222 CO -0.00 0.50 -0.74 -0.44 -3.11 0.00 0.00 179.97 176.18 3k1z h ASP 223 N 0.78 0.00 0.00 -3.80 3.32 -0.75 -3.40 116.42 112.57 3k1z h ASP 223 Ca 0.39 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.43 3k1z h ASP 223 Cb 0.35 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.89 3k1z h ASP 223 CO -0.24 0.25 -1.06 -1.20 -1.72 0.00 0.00 179.24 175.27 3k1z n SER 224 N -2.96 4.69 -4.56 6.45 7.64 -0.28 -5.01 113.62 119.60 3k1z n SER 224 Ca -0.01 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.52 3k1z n SER 224 Cb 0.66 0.99 -0.11 0.00 -1.01 0.00 0.00 64.21 64.73 3k1z n SER 224 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3k1z s VAL 225 N -2.08 4.63 0.25 0.44 1.01 -0.24 -5.03 120.40 119.38 3k1z s VAL 225 Ca -0.01 -0.08 -0.31 0.00 0.00 0.00 0.00 61.98 61.59 3k1z s VAL 225 Cb 0.01 -3.12 -0.13 0.00 0.00 0.00 0.00 36.38 33.13 3k1z s VAL 225 CO 0.06 0.40 1.43 -2.65 0.00 0.00 0.00 175.10 174.34 3k1z n PRO 226 N 4.14 2.14 0.06 2.72 -0.02 -1.26 -4.82 135.00 137.96 3k1z n PRO 226 Ca -0.16 0.76 0.20 0.00 -2.02 0.00 0.00 63.50 62.28 3k1z n PRO 226 Cb 0.52 -2.43 0.73 0.00 -0.02 0.00 0.00 33.50 32.30 3k1z n PRO 226 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 3k1z h LYS 227 N 4.21 0.00 0.00 -0.52 2.10 -1.94 -0.06 116.57 120.35 3k1z h LYS 227 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 3k1z h LYS 227 Cb 1.27 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.60 3k1z h LYS 227 CO 0.76 0.00 0.00 0.93 -2.00 0.00 0.00 179.45 179.14 3k1z h GLU 228 N 0.00 0.00 -0.03 0.07 3.07 -2.02 -2.45 114.58 113.23 3k1z h GLU 228 Ca 0.21 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.07 3k1z h GLU 228 Cb 0.94 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.85 3k1z h GLU 228 CO -0.00 0.00 -0.02 0.72 -1.40 0.00 0.00 179.01 178.31 3k1z n HIS 229 N -2.84 0.00 -3.68 4.33 8.25 -0.04 -4.91 115.22 116.33 3k1z n HIS 229 Ca -0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 3k1z n HIS 229 Cb 0.20 -0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.21 3k1z n HIS 229 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3k1z s ILE 230 N -2.02 5.20 -0.30 1.59 1.01 -0.92 -1.19 121.20 124.56 3k1z s ILE 230 Ca 0.28 0.13 -0.05 0.00 0.00 0.00 0.00 60.65 61.00 3k1z s ILE 230 Cb 0.20 -3.43 0.03 0.00 0.01 0.00 0.00 42.46 39.26 3k1z s ILE 230 CO 0.31 0.33 0.06 -0.76 0.00 0.00 0.00 174.94 174.88 3k1z s LEU 231 N 1.22 3.90 0.44 2.97 1.43 0.82 -4.95 118.68 124.52 3k1z s LEU 231 Ca 0.07 -0.94 0.14 0.00 -1.03 0.00 0.00 54.13 52.37 3k1z s LEU 231 Cb -0.14 -1.82 0.99 0.00 0.03 0.00 0.00 46.19 45.24 3k1z s LEU 231 CO 0.06 -0.23 1.99 -0.65 0.23 0.00 0.00 176.35 177.75 3k1z h PRO 232 N 8.17 0.04 -3.37 1.29 0.11 -1.84 -0.17 132.00 136.23 3k1z h PRO 232 Ca -0.28 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.81 3k1z h PRO 232 Cb 1.10 -0.01 -0.07 0.00 0.11 0.00 0.00 31.00 32.14 3k1z h PRO 232 CO 0.59 0.20 0.04 -1.54 -0.21 0.00 0.00 178.00 177.08 3k1z s SER 233 N -6.98 -0.12 0.65 -2.05 1.04 -1.26 -2.00 113.70 102.98 3k1z s SER 233 Ca -0.04 -0.83 0.42 0.00 0.48 0.00 0.00 55.95 55.97 3k1z s SER 233 Cb 0.16 0.66 2.26 0.00 0.10 0.00 0.00 66.02 69.20 3k1z s SER 233 CO 0.70 -1.26 2.32 -0.07 0.98 0.00 0.00 173.24 175.91 3k1z h LEU 234 N 2.13 0.00 -2.08 2.42 3.38 -1.90 -1.59 115.31 117.67 3k1z h LEU 234 Ca -0.24 0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.83 3k1z h LEU 234 Cb 1.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 3k1z h LEU 234 CO 0.31 0.00 0.32 0.00 0.09 0.00 0.00 178.44 179.17 3k1z h ALA 235 N 2.00 2.11 -0.01 1.53 0.00 -1.95 -2.21 119.26 120.73 3k1z h ALA 235 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3k1z h ALA 235 Cb 0.06 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3k1z h ALA 235 CO 0.00 -0.50 -0.27 0.72 0.00 0.00 0.00 179.25 179.20 3k1z n HIS 236 N -3.95 0.00 0.23 0.00 8.25 -0.60 -4.50 115.22 114.65 3k1z n HIS 236 Ca 0.06 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.38 3k1z n HIS 236 Cb 0.49 -0.17 -0.08 0.00 1.12 0.00 0.00 29.99 31.36 3k1z n HIS 236 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3k1z h LEU 237 N 0.82 -0.50 -0.86 2.41 5.85 -1.55 -1.03 115.31 120.45 3k1z h LEU 237 Ca 0.00 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 3k1z h LEU 237 Cb 0.48 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.60 3k1z h LEU 237 CO 0.00 -0.16 0.44 -0.07 -0.34 0.00 0.00 178.44 178.31 3k1z h LEU 238 N -0.87 1.10 -1.16 2.25 3.38 -1.79 0.01 115.31 118.23 3k1z h LEU 238 Ca -0.06 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 3k1z h LEU 238 Cb 0.56 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 3k1z h LEU 238 CO 0.10 0.91 0.43 -0.65 0.09 0.00 0.00 178.44 179.32 3k1z h PRO 239 N 1.21 1.01 -0.57 1.13 0.11 -1.78 -0.27 132.00 132.84 3k1z h PRO 239 Ca 0.30 -0.09 -0.05 0.00 0.11 0.00 0.00 66.00 66.27 3k1z h PRO 239 Cb 0.08 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 30.96 3k1z h PRO 239 CO -0.04 0.71 0.16 0.00 -0.21 0.00 0.00 178.00 178.63 3k1z h ALA 240 N 1.46 0.75 -0.54 -0.75 0.00 -0.48 -2.13 119.26 117.57 3k1z h ALA 240 Ca 0.26 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3k1z h ALA 240 Cb -0.02 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3k1z h ALA 240 CO -0.05 0.43 0.10 -0.07 0.00 0.00 0.00 179.25 179.66 3k1z h LEU 241 N 0.81 0.81 -0.93 0.00 3.38 -0.54 -2.01 115.31 116.83 3k1z h LEU 241 Ca 0.18 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 3k1z h LEU 241 Cb 0.31 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3k1z h LEU 241 CO -0.00 0.82 -0.20 0.44 0.09 0.00 0.00 178.44 179.58 3k1z h ASP 242 N 0.82 0.55 -0.28 -0.43 3.32 -0.77 0.05 116.42 119.67 3k1z h ASP 242 Ca 0.17 -0.17 -0.13 0.00 0.02 0.00 0.00 57.03 56.91 3k1z h ASP 242 Cb 0.35 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3k1z h ASP 242 CO 0.01 0.76 -0.32 0.00 -1.72 0.00 0.00 179.24 177.97 3k1z h LEU 244 N 0.67 -0.77 -1.20 0.00 5.85 -1.15 -3.09 115.31 115.62 3k1z h LEU 244 Ca 0.07 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.88 3k1z h LEU 244 Cb 0.86 0.23 -0.05 0.00 0.37 0.00 0.00 40.66 42.07 3k1z h LEU 244 CO 0.08 -0.48 0.55 -0.08 -0.34 0.00 0.00 178.44 178.17 3k1z h GLU 245 N -0.76 1.00 -0.08 1.25 4.81 -0.90 -2.64 114.58 117.26 3k1z h GLU 245 Ca -0.06 -0.06 0.02 0.00 -0.13 0.00 0.00 59.36 59.14 3k1z h GLU 245 Cb 0.62 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.78 3k1z h GLU 245 CO 0.05 0.66 0.06 0.78 -0.73 0.00 0.00 179.01 179.83 3k1z h GLY 246 N 1.03 0.01 1.00 1.92 0.00 -0.68 -3.51 103.07 102.84 3k1z h GLY 246 Ca 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.67 3k1z h GLY 246 CO -0.10 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.30