#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k4f h GLN 11 N 0.00 0.70 -6.64 -0.52 5.75 -2.01 -3.34 115.11 109.06 3k4f h GLN 11 Ca 0.00 -0.04 -0.53 0.00 -0.15 0.00 0.00 58.65 57.93 3k4f h GLN 11 Cb 0.00 -0.16 0.04 0.00 1.07 0.00 0.00 27.48 28.43 3k4f h GLN 11 CO 0.00 0.46 0.73 -0.51 -2.65 0.00 0.00 178.83 176.86 3k4f s ASP 12 N -5.63 6.78 0.24 -0.69 1.01 -1.26 -4.92 116.67 112.20 3k4f s ASP 12 Ca -0.13 2.46 -0.06 0.00 0.71 0.00 0.00 52.55 55.53 3k4f s ASP 12 Cb 0.16 -2.60 0.30 0.00 1.01 0.00 0.00 42.92 41.78 3k4f s ASP 12 CO 0.76 -0.65 1.89 0.25 0.21 0.00 0.00 175.17 177.63 3k4f h LEU 13 N 6.00 0.98 -0.68 1.23 5.85 -1.87 0.10 115.31 126.92 3k4f h LEU 13 Ca -0.44 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.31 3k4f h LEU 13 Cb 1.21 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.98 3k4f h LEU 13 CO 0.82 0.67 0.42 0.77 -0.34 0.00 0.00 178.44 180.79 3k4f h SER 14 N 1.15 0.69 0.07 1.25 4.64 -1.89 0.24 113.55 119.71 3k4f h SER 14 Ca 0.37 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.52 3k4f h SER 14 Cb 0.02 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 61.96 3k4f h SER 14 CO -0.12 0.48 -0.62 -0.33 -0.87 0.00 0.00 176.83 175.36 3k4f h GLU 15 N 0.83 0.54 -0.64 4.77 4.39 -1.78 -2.67 114.58 120.02 3k4f h GLU 15 Ca 0.27 -0.38 -0.07 0.00 0.34 0.00 0.00 59.36 59.53 3k4f h GLU 15 Cb 0.02 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.70 3k4f h GLU 15 CO -0.11 0.99 0.12 0.00 -1.16 0.00 0.00 179.01 178.85 3k4f h ALA 16 N 0.92 1.00 -0.35 3.43 0.00 -0.18 -1.34 119.26 122.74 3k4f h ALA 16 Ca -0.01 -0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.49 3k4f h ALA 16 Cb 1.18 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3k4f h ALA 16 CO 0.12 0.64 -0.41 -0.07 0.00 0.00 0.00 179.25 179.52 3k4f h LEU 17 N 0.97 0.93 -0.37 0.00 3.38 -0.57 -2.03 115.31 117.62 3k4f h LEU 17 Ca 0.20 -0.44 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 3k4f h LEU 17 Cb 0.40 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3k4f h LEU 17 CO 0.01 1.22 0.02 0.50 0.09 0.00 0.00 178.44 180.28 3k4f h LYS 18 N 0.70 0.64 -0.53 1.13 3.64 -1.32 -2.02 116.57 118.81 3k4f h LYS 18 Ca 0.05 -0.19 -0.07 0.00 -1.27 0.00 0.00 60.65 59.17 3k4f h LYS 18 Cb 1.00 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.73 3k4f h LYS 18 CO 0.10 0.73 0.05 1.49 -2.27 0.00 0.00 179.45 179.55 3k4f h GLU 19 N 0.47 0.91 -0.04 1.90 4.57 -1.28 -2.57 114.58 118.53 3k4f h GLU 19 Ca 0.11 -0.26 -0.12 0.00 -1.18 0.00 0.00 59.36 57.91 3k4f h GLU 19 Cb 0.42 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 3k4f h GLU 19 CO 0.01 0.90 -0.51 0.00 -1.18 0.00 0.00 179.01 178.23 3k4f h ALA 20 N 0.97 1.06 -0.65 2.92 0.00 -1.31 -3.14 119.26 119.11 3k4f h ALA 20 Ca 0.16 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3k4f h ALA 20 Cb 0.46 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3k4f h ALA 20 CO 0.02 0.66 0.00 0.25 0.00 0.00 0.00 179.25 180.17 3k4f n THR 21 N -3.93 1.13 -0.07 0.00 -2.24 -0.77 -4.56 114.28 103.84 3k4f n THR 21 Ca -0.02 -1.04 -0.08 0.00 -2.27 0.00 0.00 64.05 60.64 3k4f n THR 21 Cb 0.54 0.44 -0.01 0.00 -2.10 0.00 0.00 70.33 69.20 3k4f n THR 21 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3k4f h LYS 22 N 3.84 0.24 -0.18 -0.78 3.64 -1.40 -1.37 116.57 120.56 3k4f h LYS 22 Ca 0.00 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.29 3k4f h LYS 22 Cb 1.01 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.78 3k4f h LYS 22 CO 0.03 0.16 -0.17 1.49 -2.27 0.00 0.00 179.45 178.69 3k4f h GLU 23 N 0.25 0.43 0.00 1.90 4.81 -1.82 -2.85 114.58 117.30 3k4f h GLU 23 Ca 0.11 -0.23 -0.06 0.00 -0.13 0.00 0.00 59.36 59.06 3k4f h GLU 23 Cb 0.06 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 3k4f h GLU 23 CO -0.10 0.79 -0.30 -0.39 -0.73 0.00 0.00 179.01 178.28 3k4f h VAL 24 N 0.08 0.90 -0.47 0.32 -1.51 -1.85 -2.32 116.25 111.41 3k4f h VAL 24 Ca 0.03 -1.17 -0.10 0.00 -1.23 0.00 0.00 66.70 64.22 3k4f h VAL 24 Cb 0.71 1.70 -0.02 0.00 -2.13 0.00 0.00 31.29 31.55 3k4f h VAL 24 CO 0.04 0.29 -0.12 -0.74 -1.23 0.00 0.00 177.57 175.82 3k4f h HIS 25 N 0.00 0.96 -0.72 5.19 -0.00 -1.21 -2.09 115.15 117.28 3k4f h HIS 25 Ca -0.00 -0.19 -0.05 0.00 -0.00 0.00 0.00 60.37 60.13 3k4f h HIS 25 Cb 0.67 -0.24 -0.03 0.00 -0.00 0.00 0.00 27.41 27.81 3k4f h HIS 25 CO 0.00 0.93 0.25 1.15 -0.00 0.00 0.00 177.93 180.26 3k4f h THR 26 N 0.78 1.25 -0.74 6.26 2.02 -1.20 -1.68 112.91 119.60 3k4f h THR 26 Ca 0.13 -0.84 0.04 0.00 0.77 0.00 0.00 66.41 66.50 3k4f h THR 26 Cb 0.63 0.43 -0.05 0.00 -1.74 0.00 0.00 68.15 67.42 3k4f h THR 26 CO 0.04 0.33 0.46 1.56 0.37 0.00 0.00 175.52 178.29 3k4f h GLN 27 N 1.06 0.86 -0.69 6.66 4.20 -1.16 -1.23 115.11 124.81 3k4f h GLN 27 Ca 0.24 -0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.84 3k4f h GLN 27 Cb 0.26 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 3k4f h GLN 27 CO -0.01 0.57 0.23 0.00 -0.67 0.00 0.00 178.83 178.94 3k4f h ALA 28 N 1.33 0.90 -0.61 3.87 0.00 -1.03 -1.42 119.26 122.31 3k4f h ALA 28 Ca 0.31 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3k4f h ALA 28 Cb 0.07 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3k4f h ALA 28 CO -0.13 0.57 0.34 0.93 0.00 0.00 0.00 179.25 180.95 3k4f h GLU 29 N 1.00 0.84 0.00 0.00 5.08 -0.91 -2.61 114.58 117.98 3k4f h GLU 29 Ca 0.22 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3k4f h GLU 29 Cb 0.28 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3k4f h GLU 29 CO -0.01 0.62 -0.13 -1.71 -1.00 0.00 0.00 179.01 176.77 3k4f n ASN 30 N -4.39 0.50 -4.71 1.42 5.15 -0.50 -4.35 115.26 108.37 3k4f n ASN 30 Ca 0.06 0.41 -0.42 0.00 -0.60 0.00 0.00 54.58 54.03 3k4f n ASN 30 Cb 0.10 -0.47 -0.01 0.00 -0.53 0.00 0.00 39.78 38.87 3k4f n ASN 30 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3k4f n ALA 31 N -1.67 1.52 -0.19 5.20 0.00 -0.57 -4.74 120.51 120.05 3k4f n ALA 31 Ca 0.06 0.36 -0.02 0.00 0.00 0.00 0.00 53.44 53.83 3k4f n ALA 31 Cb 0.39 -2.29 0.08 0.00 0.00 0.00 0.00 19.45 17.63 3k4f n ALA 31 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3k4f h GLU 32 N 2.69 0.51 -0.73 0.00 5.08 -1.90 0.12 114.58 120.34 3k4f h GLU 32 Ca -0.47 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 57.81 3k4f h GLU 32 Cb 1.27 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.38 3k4f h GLU 32 CO 0.63 0.34 0.26 0.35 -1.00 0.00 0.00 179.01 179.59 3k4f h PHE 33 N 0.52 1.14 -0.36 4.33 3.04 -1.91 -1.87 116.94 121.83 3k4f h PHE 33 Ca 0.27 -0.09 -0.15 0.00 3.98 0.00 0.00 57.97 61.98 3k4f h PHE 33 Cb 0.22 -0.34 -0.01 0.00 2.56 0.00 0.00 35.95 38.39 3k4f h PHE 33 CO -0.11 0.88 -0.37 0.52 -2.02 0.00 0.00 178.31 177.21 3k4f h MET 34 N 1.08 0.84 -0.39 1.11 2.86 -1.58 0.91 114.93 119.76 3k4f h MET 34 Ca 0.24 -0.43 0.01 0.00 -2.06 0.00 0.00 59.70 57.47 3k4f h MET 34 Cb 0.25 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 3k4f h MET 34 CO -0.01 1.07 0.25 0.00 1.06 0.00 0.00 176.91 179.27 3k4f h ARG 35 N 0.70 0.49 -0.17 1.72 3.08 -0.69 -2.07 114.38 117.44 3k4f h ARG 35 Ca 0.06 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 3k4f h ARG 35 Cb 0.93 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.87 3k4f h ARG 35 CO 0.09 0.32 0.00 -0.91 -1.07 0.00 0.00 179.97 178.40 3k4f h ASN 36 N 0.50 0.30 -0.46 7.04 -0.26 -1.10 -3.11 115.58 118.49 3k4f h ASN 36 Ca 0.15 -0.31 0.01 0.00 -0.56 0.00 0.00 56.30 55.59 3k4f h ASN 36 Cb -0.03 -0.08 -0.02 0.00 -1.06 0.00 0.00 38.32 37.12 3k4f h ASN 36 CO -0.05 0.54 0.29 0.15 -1.06 0.00 0.00 177.43 177.30 3k4f h PHE 37 N 0.06 0.56 0.00 1.19 3.04 -0.81 0.55 116.94 121.53 3k4f h PHE 37 Ca 0.05 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.01 3k4f h PHE 37 Cb 0.38 -0.19 -0.00 0.00 2.56 0.00 0.00 35.95 38.70 3k4f h PHE 37 CO 0.03 0.34 -0.02 0.37 -2.02 0.00 0.00 178.31 177.02 3k4f h GLN 38 N 0.60 0.00 -0.60 1.11 4.15 -1.39 0.12 115.11 119.10 3k4f h GLN 38 Ca 0.17 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.59 3k4f h GLN 38 Cb -0.05 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.64 3k4f h GLN 38 CO -0.05 0.02 0.00 1.63 -1.93 0.00 0.00 178.83 178.50 3k4f n LYS 39 N -3.31 3.24 -2.23 1.69 4.76 -0.87 -4.96 118.16 116.48 3k4f n LYS 39 Ca -0.02 -2.68 -0.13 0.00 -2.87 0.00 0.00 58.31 52.60 3k4f n LYS 39 Cb 0.13 -1.69 -0.01 0.00 -1.84 0.00 0.00 35.03 31.62 3k4f n LYS 39 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3k4f n GLY 40 N 1.08 -0.13 1.03 0.72 0.00 0.43 -4.92 105.19 103.41 3k4f n GLY 40 Ca 0.23 -0.32 0.07 0.00 0.00 0.00 0.00 46.02 46.00 3k4f n GLY 40 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3k4f n GLN 41 N -2.30 2.49 -2.54 1.61 1.13 0.13 -4.82 117.38 113.08 3k4f n GLN 41 Ca -0.16 -1.85 -0.40 0.00 -1.94 0.00 0.00 57.00 52.64 3k4f n GLN 41 Cb 0.62 -1.53 -0.05 0.00 0.11 0.00 0.00 30.24 29.39 3k4f n GLN 41 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3k4f s VAL 42 N -1.54 3.69 0.39 5.09 0.11 -1.26 -4.87 120.40 122.01 3k4f s VAL 42 Ca 0.34 1.64 0.05 0.00 -2.93 0.00 0.00 61.98 61.09 3k4f s VAL 42 Cb 0.20 -4.05 -0.00 0.00 -1.53 0.00 0.00 36.38 31.00 3k4f s VAL 42 CO 0.20 0.37 0.55 0.42 -3.33 0.00 0.00 175.10 173.30 3k4f s THR 43 N -0.94 3.75 0.22 5.04 -4.23 -1.26 -4.78 115.64 113.43 3k4f s THR 43 Ca 0.45 -0.89 -0.09 0.00 -1.18 0.00 0.00 61.69 59.98 3k4f s THR 43 Cb -0.30 -3.31 0.17 0.00 1.34 0.00 0.00 72.50 70.40 3k4f s THR 43 CO 0.38 -0.14 1.88 0.03 -0.54 0.00 0.00 174.62 176.23 3k4f h ARG 44 N 0.70 1.02 -0.84 3.99 3.08 -1.94 0.55 114.38 120.94 3k4f h ARG 44 Ca -0.44 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 59.52 3k4f h ARG 44 Cb 1.26 -0.23 -0.04 0.00 0.08 0.00 0.00 29.97 31.04 3k4f h ARG 44 CO 0.52 0.67 0.42 -0.44 -1.07 0.00 0.00 179.97 180.08 3k4f h ASP 45 N 1.05 1.09 -0.50 7.04 3.32 -1.98 0.24 116.42 126.68 3k4f h ASP 45 Ca 0.29 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 57.18 3k4f h ASP 45 Cb -0.09 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.15 3k4f h ASP 45 CO -0.07 0.91 0.14 1.23 -1.72 0.00 0.00 179.24 179.73 3k4f h GLY 46 N 1.19 0.85 1.10 2.75 0.00 -1.83 -1.46 103.07 105.67 3k4f h GLY 46 Ca 0.29 -0.51 -0.15 0.00 0.00 0.00 0.00 47.33 46.96 3k4f h GLY 46 CO -0.04 0.48 -0.32 -2.75 0.00 0.00 0.00 176.54 173.91 3k4f h PHE 47 N 0.68 1.09 -1.00 5.60 3.57 -0.60 -2.71 116.94 123.57 3k4f h PHE 47 Ca 0.16 -0.31 0.01 0.00 3.53 0.00 0.00 57.97 61.36 3k4f h PHE 47 Cb 0.30 -0.24 -0.05 0.00 2.79 0.00 0.00 35.95 38.75 3k4f h PHE 47 CO 0.02 1.13 0.66 0.87 -2.23 0.00 0.00 178.31 178.75 3k4f h LYS 48 N 0.74 1.32 -0.87 1.11 1.57 -0.48 -1.43 116.57 118.52 3k4f h LYS 48 Ca 0.07 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3k4f h LYS 48 Cb 0.91 -0.30 -0.04 0.00 0.08 0.00 0.00 32.23 32.88 3k4f h LYS 48 CO 0.08 0.88 0.49 1.25 -0.57 0.00 0.00 179.45 181.58 3k4f h LEU 49 N 1.36 1.07 -0.09 2.94 6.46 -1.14 -0.01 115.31 125.90 3k4f h LEU 49 Ca 0.36 -0.09 -0.04 0.00 -0.12 0.00 0.00 57.88 58.00 3k4f h LEU 49 Cb -0.15 -0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 39.51 3k4f h LEU 49 CO -0.08 0.85 -0.08 0.58 -0.62 0.00 0.00 178.44 179.09 3k4f h VAL 50 N 1.21 1.36 -0.98 1.05 2.07 -1.15 -1.70 116.25 118.10 3k4f h VAL 50 Ca 0.31 -1.22 0.07 0.00 0.82 0.00 0.00 66.70 66.68 3k4f h VAL 50 Cb 0.00 1.96 -0.07 0.00 -1.52 0.00 0.00 31.29 31.67 3k4f h VAL 50 CO -0.05 0.34 0.63 0.24 0.02 0.00 0.00 177.57 178.75 3k4f h MET 51 N -0.19 1.11 -0.41 1.57 2.86 -1.12 0.71 114.93 119.46 3k4f h MET 51 Ca 0.02 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 3k4f h MET 51 Cb 0.59 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 3k4f h MET 51 CO 0.02 0.73 0.17 0.00 1.06 0.00 0.00 176.91 178.90 3k4f h ALA 52 N 1.45 0.53 0.02 6.32 0.00 -0.98 -1.86 119.26 124.75 3k4f h ALA 52 Ca 0.43 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3k4f h ALA 52 Cb 0.18 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3k4f h ALA 52 CO -0.18 0.13 -0.03 0.77 0.00 0.00 0.00 179.25 179.94 3k4f h SER 53 N 0.52 -0.08 -0.89 0.00 0.02 -0.44 -2.58 113.55 110.11 3k4f h SER 53 Ca 0.14 0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.12 3k4f h SER 53 Cb 0.17 0.03 -0.05 0.00 0.14 0.00 0.00 62.40 62.69 3k4f h SER 53 CO -0.01 -0.05 0.59 -0.07 -1.14 0.00 0.00 176.83 176.15 3k4f h LEU 54 N -0.06 1.00 0.25 5.07 3.38 -0.84 -1.31 115.31 122.78 3k4f h LEU 54 Ca 0.00 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3k4f h LEU 54 Cb 0.07 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3k4f h LEU 54 CO -0.01 0.71 -0.21 0.22 0.09 0.00 0.00 178.44 179.23 3k4f h TYR 55 N 1.17 -0.55 -0.76 1.13 3.20 -1.17 0.62 116.97 120.60 3k4f h TYR 55 Ca 0.34 0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.25 3k4f h TYR 55 Cb -0.07 0.21 -0.05 0.00 1.54 0.00 0.00 36.73 38.36 3k4f h TYR 55 CO -0.00 -0.32 0.48 0.45 -1.64 0.00 0.00 178.16 177.13 3k4f h HIS 56 N -0.47 0.89 -0.21 -3.82 3.86 -1.06 0.21 115.15 114.54 3k4f h HIS 56 Ca -0.01 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 3k4f h HIS 56 Cb 0.43 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.59 3k4f h HIS 56 CO -0.13 0.50 0.09 0.82 0.86 0.00 0.00 177.93 180.06 3k4f h ILE 57 N 0.92 1.16 -0.02 2.45 2.04 -1.09 -2.75 117.51 120.22 3k4f h ILE 57 Ca 0.31 -0.48 -0.12 0.00 1.00 0.00 0.00 64.86 65.57 3k4f h ILE 57 Cb 0.05 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 3k4f h ILE 57 CO -0.13 0.16 -0.55 1.88 0.00 0.00 0.00 178.15 179.51 3k4f h TYR 58 N 0.20 0.07 -0.12 1.37 0.05 -0.55 -0.73 116.97 117.26 3k4f h TYR 58 Ca 0.07 -0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.83 3k4f h TYR 58 Cb 0.17 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 37.88 3k4f h TYR 58 CO -0.01 0.60 0.07 0.28 -1.05 0.00 0.00 178.16 178.05 3k4f h VAL 59 N 0.05 1.01 -0.08 -2.88 2.07 -0.93 -0.48 116.25 115.02 3k4f h VAL 59 Ca -0.00 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 3k4f h VAL 59 Cb 0.99 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 31.61 3k4f h VAL 59 CO 0.08 0.03 0.02 0.00 0.02 0.00 0.00 177.57 177.71 3k4f h ALA 60 N 1.05 0.10 0.26 1.67 0.00 -1.29 -1.99 119.26 119.07 3k4f h ALA 60 Ca 0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3k4f h ALA 60 Cb -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3k4f h ALA 60 CO -0.02 -0.27 -0.12 1.25 0.00 0.00 0.00 179.25 180.08 3k4f h LEU 61 N -0.10 -0.30 -0.82 0.00 5.85 -1.12 -2.11 115.31 116.72 3k4f h LEU 61 Ca 0.02 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3k4f h LEU 61 Cb 0.25 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.36 3k4f h LEU 61 CO 0.00 -0.16 0.00 -0.33 -0.34 0.00 0.00 178.44 177.61 3k4f h GLU 62 N -0.41 0.00 -0.11 1.25 5.08 -1.16 0.12 114.58 119.36 3k4f h GLU 62 Ca -0.04 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 3k4f h GLU 62 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 3k4f h GLU 62 CO 0.06 0.00 -0.25 1.49 -1.00 0.00 0.00 179.01 179.31 3k4f h GLU 63 N 0.00 0.36 -0.11 2.33 4.81 -1.22 -2.82 114.58 117.94 3k4f h GLU 63 Ca 0.00 -0.25 -0.13 0.00 -0.13 0.00 0.00 59.36 58.86 3k4f h GLU 63 Cb 0.56 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.96 3k4f h GLU 63 CO 0.00 0.85 -0.49 0.93 -0.73 0.00 0.00 179.01 179.57 3k4f h GLU 64 N -0.07 0.28 -0.26 1.92 4.39 -0.76 -2.47 114.58 117.62 3k4f h GLU 64 Ca -0.00 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.53 3k4f h GLU 64 Cb 0.86 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.50 3k4f h GLU 64 CO 0.06 0.71 0.13 0.82 -1.16 0.00 0.00 179.01 179.56 3k4f h ILE 65 N 0.23 1.14 -0.05 3.13 2.04 -0.86 -1.87 117.51 121.26 3k4f h ILE 65 Ca 0.01 -0.40 -0.03 0.00 1.00 0.00 0.00 64.86 65.44 3k4f h ILE 65 Cb 0.95 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.96 3k4f h ILE 65 CO 0.08 0.14 -0.11 -0.33 0.00 0.00 0.00 178.15 177.93 3k4f h GLU 66 N 0.28 0.08 -0.14 2.37 4.39 -1.40 0.12 114.58 120.28 3k4f h GLU 66 Ca 0.09 -0.01 -0.15 0.00 0.34 0.00 0.00 59.36 59.63 3k4f h GLU 66 Cb 0.11 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 3k4f h GLU 66 CO -0.01 0.20 -0.53 -0.09 -1.16 0.00 0.00 179.01 177.42 3k4f h ARG 67 N 0.08 0.41 -0.22 2.33 2.43 -1.13 -3.32 114.38 114.96 3k4f h ARG 67 Ca 0.02 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 3k4f h ARG 67 Cb 0.25 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 3k4f h ARG 67 CO 0.02 0.84 0.00 0.09 -1.51 0.00 0.00 179.97 179.41 3k4f n ASN 68 N -3.95 3.34 0.25 -3.80 4.13 -0.73 -4.71 115.26 109.78 3k4f n ASN 68 Ca -0.03 -2.74 0.10 0.00 1.68 0.00 0.00 54.58 53.60 3k4f n ASN 68 Cb 0.58 -0.43 0.63 0.00 -1.54 0.00 0.00 39.78 39.03 3k4f n ASN 68 CO 0.00 0.00 0.00 0.07 0.28 0.00 0.00 177.26 177.61 3k4f h LYS 69 N 1.48 0.00 0.01 3.52 2.10 -0.88 -2.80 116.57 120.00 3k4f h LYS 69 Ca 0.00 0.00 -0.26 0.00 -2.00 0.00 0.00 60.65 58.39 3k4f h LYS 69 Cb 1.17 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 32.46 3k4f h LYS 69 CO 0.13 0.17 -1.44 0.93 -2.00 0.00 0.00 179.45 177.24 3k4f h GLU 70 N 0.00 0.03 -6.91 0.07 4.39 -1.86 -3.33 114.58 106.96 3k4f h GLU 70 Ca -0.00 -0.04 -0.54 0.00 0.34 0.00 0.00 59.36 59.11 3k4f h GLU 70 Cb 0.41 0.02 0.10 0.00 -0.10 0.00 0.00 28.75 29.18 3k4f h GLU 70 CO 0.02 0.75 0.80 0.45 -1.16 0.00 0.00 179.01 179.87 3k4f n SER 71 N -3.20 3.83 0.25 1.42 2.88 -1.06 -4.67 113.62 113.07 3k4f n SER 71 Ca -0.11 1.21 0.17 0.00 -1.33 0.00 0.00 58.87 58.81 3k4f n SER 71 Cb 1.01 -1.62 0.90 0.00 -0.75 0.00 0.00 64.21 63.75 3k4f n SER 71 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3k4f h PRO 72 N 3.38 0.00 0.00 -1.46 0.11 -1.92 0.21 132.00 132.32 3k4f h PRO 72 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3k4f h PRO 72 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3k4f h PRO 72 CO 0.67 0.00 0.00 -0.39 -0.21 0.00 0.00 178.00 178.07 3k4f h VAL 73 N 0.00 0.00 0.00 3.15 -1.51 -1.90 -3.40 116.25 112.59 3k4f h VAL 73 Ca 0.00 -0.59 0.00 0.00 -1.23 0.00 0.00 66.70 64.88 3k4f h VAL 73 Cb 0.01 1.57 0.00 0.00 -2.13 0.00 0.00 31.29 30.74 3k4f h VAL 73 CO 0.00 0.00 -0.38 0.33 -1.23 0.00 0.00 177.57 176.29 3k4f n PHE 74 N -2.48 0.00 -0.32 5.19 7.35 -0.71 -4.77 117.46 121.72 3k4f n PHE 74 Ca 0.05 0.00 0.23 0.00 -0.76 0.00 0.00 57.45 56.97 3k4f n PHE 74 Cb 0.44 0.00 0.45 0.00 0.35 0.00 0.00 39.48 40.72 3k4f n PHE 74 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3k4f h ALA 75 N 0.00 1.75 0.00 3.13 0.00 -0.73 0.96 119.26 124.37 3k4f h ALA 75 Ca 0.00 0.26 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 3k4f h ALA 75 Cb 0.37 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 3k4f h ALA 75 CO 0.00 -0.71 -0.14 -1.35 0.00 0.00 0.00 179.25 177.05 3k4f h PRO 76 N 0.10 0.00 -0.57 0.00 0.11 -1.83 -2.61 132.00 127.20 3k4f h PRO 76 Ca 0.72 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.83 3k4f h PRO 76 Cb 1.72 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.83 3k4f h PRO 76 CO -0.76 0.14 0.00 1.33 -0.21 0.00 0.00 178.00 178.50 3k4f n VAL 77 N -3.93 2.25 -2.67 3.15 0.24 0.32 -4.83 118.33 112.86 3k4f n VAL 77 Ca -0.02 -1.35 -0.42 0.00 -2.04 0.00 0.00 64.34 60.51 3k4f n VAL 77 Cb 0.23 -0.07 -0.03 0.00 -1.47 0.00 0.00 33.84 32.50 3k4f n VAL 77 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 3k4f s TYR 78 N -2.31 2.45 -0.59 6.34 5.04 -0.98 -4.92 117.35 122.38 3k4f s TYR 78 Ca 0.51 -0.19 0.06 0.00 -2.44 0.00 0.00 57.07 55.01 3k4f s TYR 78 Cb 0.36 -4.49 0.21 0.00 0.35 0.00 0.00 41.96 38.40 3k4f s TYR 78 CO 0.19 -1.88 0.57 1.19 -1.34 0.00 0.00 175.55 174.28 3k4f n PHE 79 N 8.70 2.21 -0.12 4.97 3.72 -1.26 -4.98 117.46 130.70 3k4f n PHE 79 Ca 0.01 -3.99 -0.10 0.00 -0.05 0.00 0.00 57.45 53.32 3k4f n PHE 79 Cb 0.48 -0.43 -0.02 0.00 -0.94 0.00 0.00 39.48 38.57 3k4f n PHE 79 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3k4f h PRO 80 N 4.73 0.60 -0.40 -1.08 0.13 -1.98 -2.43 132.00 131.58 3k4f h PRO 80 Ca 0.17 -0.18 -0.13 0.00 -0.87 0.00 0.00 66.00 64.99 3k4f h PRO 80 Cb 0.76 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.82 3k4f h PRO 80 CO 0.67 0.70 -0.28 0.93 -0.23 0.00 0.00 178.00 179.79 3k4f h GLU 81 N 0.42 0.84 -0.02 0.86 4.39 -1.96 -1.19 114.58 117.92 3k4f h GLU 81 Ca 0.10 -0.38 -0.17 0.00 0.34 0.00 0.00 59.36 59.25 3k4f h GLU 81 Cb 0.41 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 3k4f h GLU 81 CO 0.01 1.02 -0.76 0.93 -1.16 0.00 0.00 179.01 179.05 3k4f h GLU 82 N 0.72 0.19 0.00 2.33 3.07 -1.85 -3.41 114.58 115.62 3k4f h GLU 82 Ca 0.08 -0.17 -0.07 0.00 -0.50 0.00 0.00 59.36 58.71 3k4f h GLU 82 Cb 0.83 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.76 3k4f h GLU 82 CO 0.07 0.85 -1.27 1.28 -1.40 0.00 0.00 179.01 178.55 3k4f n LEU 83 N -3.74 0.00 -4.59 1.33 4.77 -0.92 -4.49 117.00 109.36 3k4f n LEU 83 Ca -0.03 0.00 -0.47 0.00 -0.03 0.00 0.00 56.01 55.48 3k4f n LEU 83 Cb 0.72 0.10 -0.03 0.00 -2.33 0.00 0.00 43.42 41.87 3k4f n LEU 83 CO 0.46 0.10 0.73 0.00 -1.33 0.00 0.00 177.39 177.35 3k4f n HIS 84 N -2.13 1.41 0.00 -1.77 1.44 -0.46 -4.91 115.22 108.80 3k4f n HIS 84 Ca -0.06 0.65 0.00 0.00 -2.01 0.00 0.00 57.72 56.29 3k4f n HIS 84 Cb 0.62 -2.30 0.00 0.00 0.12 0.00 0.00 29.99 28.43 3k4f n HIS 84 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3k4f n ARG 85 N 1.61 4.00 0.06 -1.40 5.12 -1.26 -4.78 116.66 120.00 3k4f n ARG 85 Ca 0.14 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.94 3k4f n ARG 85 Cb 0.27 -0.70 -0.05 0.00 -1.16 0.00 0.00 32.46 30.82 3k4f n ARG 85 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 3k4f h LYS 86 N 0.00 -0.36 -0.64 5.56 3.64 -1.91 -0.47 116.57 122.38 3k4f h LYS 86 Ca 0.00 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.45 3k4f h LYS 86 Cb 0.00 0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.86 3k4f h LYS 86 CO 0.00 -0.24 0.37 0.00 -2.27 0.00 0.00 179.45 177.31 3k4f h ALA 87 N 0.46 0.85 -0.70 5.00 0.00 -2.00 -0.59 119.26 122.28 3k4f h ALA 87 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3k4f h ALA 87 Cb 0.46 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3k4f h ALA 87 CO -0.21 0.08 0.24 0.00 0.00 0.00 0.00 179.25 179.36 3k4f h ALA 88 N 1.31 1.10 -0.19 0.00 0.00 -1.80 -2.53 119.26 117.14 3k4f h ALA 88 Ca 0.27 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 3k4f h ALA 88 Cb 0.11 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3k4f h ALA 88 CO -0.14 0.63 -0.48 -0.07 0.00 0.00 0.00 179.25 179.18 3k4f h LEU 89 N 1.03 0.56 -0.44 0.00 3.38 -0.34 -2.07 115.31 117.43 3k4f h LEU 89 Ca 0.23 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3k4f h LEU 89 Cb 0.26 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3k4f h LEU 89 CO -0.01 0.95 0.25 -0.33 0.09 0.00 0.00 178.44 179.39 3k4f h GLU 90 N 0.41 0.61 -0.59 1.13 5.08 -1.02 0.07 114.58 120.27 3k4f h GLU 90 Ca 0.02 -0.07 0.05 0.00 -1.00 0.00 0.00 59.36 58.37 3k4f h GLU 90 Cb 1.00 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 30.08 3k4f h GLU 90 CO 0.09 0.47 0.31 1.96 -1.00 0.00 0.00 179.01 180.85 3k4f h GLN 91 N 0.58 0.58 -0.33 2.33 1.08 -1.29 -1.87 115.11 116.19 3k4f h GLN 91 Ca 0.16 -0.03 -0.16 0.00 -1.45 0.00 0.00 58.65 57.16 3k4f h GLN 91 Cb 0.03 -0.13 -0.00 0.00 -0.05 0.00 0.00 27.48 27.33 3k4f h GLN 91 CO -0.03 0.38 -0.41 -0.44 -0.95 0.00 0.00 178.83 177.39 3k4f h ASP 92 N 0.60 0.93 0.08 1.46 3.32 -1.14 -3.10 116.42 118.56 3k4f h ASP 92 Ca 0.26 -0.49 -0.11 0.00 0.02 0.00 0.00 57.03 56.71 3k4f h ASP 92 Cb 0.15 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 3k4f h ASP 92 CO -0.17 1.24 -0.35 -0.07 -1.72 0.00 0.00 179.24 178.16 3k4f h LEU 93 N 0.65 0.40 -1.58 1.55 3.38 -0.85 -0.26 115.31 118.61 3k4f h LEU 93 Ca 0.04 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.86 3k4f h LEU 93 Cb 1.00 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 3k4f h LEU 93 CO 0.10 0.73 0.29 0.00 0.09 0.00 0.00 178.44 179.65 3k4f h ALA 94 N 1.29 1.71 -0.02 1.53 0.00 -1.34 0.35 119.26 122.78 3k4f h ALA 94 Ca 0.04 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3k4f h ALA 94 Cb 0.78 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.41 3k4f h ALA 94 CO 0.06 0.26 -0.35 0.35 0.00 0.00 0.00 179.25 179.58 3k4f h PHE 95 N 0.58 0.38 -0.14 0.00 3.57 -1.33 -1.97 116.94 118.03 3k4f h PHE 95 Ca 0.16 -0.20 -0.20 0.00 3.53 0.00 0.00 57.97 61.26 3k4f h PHE 95 Cb -0.04 -0.05 0.01 0.00 2.79 0.00 0.00 35.95 38.66 3k4f h PHE 95 CO -0.00 0.98 -0.70 -1.49 -2.23 0.00 0.00 178.31 174.87 3k4f h TRP 96 N -0.32 0.98 -0.00 0.41 4.06 -0.75 -3.34 115.95 116.99 3k4f h TRP 96 Ca -0.04 -0.43 0.00 0.00 2.06 0.00 0.00 58.89 60.48 3k4f h TRP 96 Cb 1.07 -0.15 0.00 0.00 -1.00 0.00 0.00 29.16 29.08 3k4f h TRP 96 CO 0.16 1.25 -0.52 0.66 -3.56 0.00 0.00 178.44 176.43 3k4f n TYR 97 N -4.02 0.00 -2.35 0.49 4.02 0.12 -5.08 117.16 110.34 3k4f n TYR 97 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 3k4f n TYR 97 Cb 0.71 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.03 3k4f n TYR 97 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3k4f n GLY 98 N 1.24 -1.89 0.28 2.72 0.00 -0.74 -4.22 105.19 102.56 3k4f n GLY 98 Ca 0.04 -1.68 0.06 0.00 0.00 0.00 0.00 46.02 44.44 3k4f n GLY 98 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3k4f h PRO 99 N 0.00 0.21 -0.77 1.61 0.11 -1.92 -2.38 132.00 128.86 3k4f h PRO 99 Ca 0.00 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.06 3k4f h PRO 99 Cb 0.00 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.05 3k4f h PRO 99 CO 0.00 0.16 0.04 0.54 -0.21 0.00 0.00 178.00 178.53 3k4f n ARG 100 N -4.49 3.22 -0.22 1.05 1.74 -1.26 -4.68 116.66 112.01 3k4f n ARG 100 Ca -0.01 -1.90 0.03 0.00 -0.77 0.00 0.00 57.85 55.20 3k4f n ARG 100 Cb 0.09 -1.94 0.13 0.00 -1.02 0.00 0.00 32.46 29.72 3k4f n ARG 100 CO 0.00 0.00 0.00 0.11 -1.52 0.00 0.00 177.63 176.22 3k4f h TRP 101 N 2.25 0.04 0.00 -1.55 5.08 -1.60 -0.91 115.95 119.26 3k4f h TRP 101 Ca 0.04 0.05 -0.02 0.00 1.08 0.00 0.00 58.89 60.03 3k4f h TRP 101 Cb 1.47 0.08 -0.00 0.00 -3.00 0.00 0.00 29.16 27.71 3k4f h TRP 101 CO 0.69 -0.15 -0.11 0.37 -1.28 0.00 0.00 178.44 177.97 3k4f h GLN 102 N 0.16 0.00 0.13 0.12 4.15 -1.87 -0.96 115.11 116.84 3k4f h GLN 102 Ca 0.36 0.00 -0.31 0.00 0.77 0.00 0.00 58.65 59.47 3k4f h GLN 102 Cb 0.59 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.28 3k4f h GLN 102 CO -0.54 0.11 -1.50 0.93 -1.93 0.00 0.00 178.83 175.90 3k4f h GLU 103 N 0.00 0.27 0.00 1.69 5.08 -1.56 -3.40 114.58 116.66 3k4f h GLU 103 Ca -0.00 -0.46 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3k4f h GLU 103 Cb 0.45 0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.87 3k4f h GLU 103 CO 0.01 1.15 -1.70 1.33 -1.00 0.00 0.00 179.01 178.80 3k4f n VAL 104 N -3.48 0.10 -1.79 3.13 0.24 -0.90 -4.97 118.33 110.66 3k4f n VAL 104 Ca -0.16 -0.45 -0.41 0.00 -2.04 0.00 0.00 64.34 61.28 3k4f n VAL 104 Cb 1.05 0.05 -0.01 0.00 -1.47 0.00 0.00 33.84 33.45 3k4f n VAL 104 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 3k4f s ILE 105 N -3.43 2.07 0.53 1.34 -4.36 -0.40 -4.96 121.20 111.98 3k4f s ILE 105 Ca -0.05 0.06 -0.20 0.00 -0.26 0.00 0.00 60.65 60.21 3k4f s ILE 105 Cb 0.14 -3.04 -0.06 0.00 1.25 0.00 0.00 42.46 40.74 3k4f s ILE 105 CO 0.88 0.01 1.11 -2.16 0.24 0.00 0.00 174.94 175.03 3k4f s PRO 106 N -1.17 3.43 -0.38 0.37 0.04 -1.26 -5.03 135.00 131.00 3k4f s PRO 106 Ca 0.59 1.57 0.01 0.00 0.04 0.00 0.00 61.00 63.21 3k4f s PRO 106 Cb -0.47 -2.02 0.13 0.00 0.04 0.00 0.00 34.50 32.18 3k4f s PRO 106 CO 0.54 -0.78 0.21 -0.47 0.04 0.00 0.00 177.00 176.55 3k4f s TYR 107 N -1.80 1.24 0.42 0.56 5.04 -1.26 -4.82 117.35 116.72 3k4f s TYR 107 Ca 0.72 -1.90 -0.00 0.00 -2.44 0.00 0.00 57.07 53.44 3k4f s TYR 107 Cb -0.23 -1.33 -0.02 0.00 0.35 0.00 0.00 41.96 40.73 3k4f s TYR 107 CO 0.26 -0.81 0.64 0.95 -1.34 0.00 0.00 175.55 175.25 3k4f s THR 108 N 0.87 4.52 0.29 4.34 -4.23 -1.26 -4.87 115.64 115.31 3k4f s THR 108 Ca 0.17 -0.39 0.02 0.00 -1.18 0.00 0.00 61.69 60.31 3k4f s THR 108 Cb -0.23 -3.67 0.33 0.00 1.34 0.00 0.00 72.50 70.27 3k4f s THR 108 CO -0.02 -0.49 1.62 -0.65 -0.54 0.00 0.00 174.62 174.55 3k4f h PRO 109 N 0.50 0.13 -0.10 3.99 0.11 -2.01 0.33 132.00 134.95 3k4f h PRO 109 Ca -0.48 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 65.52 3k4f h PRO 109 Cb 1.23 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3k4f h PRO 109 CO 0.59 0.09 -0.42 0.00 -0.21 0.00 0.00 178.00 178.05 3k4f h ALA 110 N 1.83 1.10 -0.29 -0.75 0.00 -1.94 0.00 119.26 119.21 3k4f h ALA 110 Ca 0.56 -0.42 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 3k4f h ALA 110 Cb 1.15 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3k4f h ALA 110 CO -0.72 0.60 -0.15 0.52 0.00 0.00 0.00 179.25 179.49 3k4f h MET 111 N 0.19 0.62 -0.58 0.00 2.86 -1.54 -2.95 114.93 113.54 3k4f h MET 111 Ca 0.02 -0.27 0.01 0.00 -2.06 0.00 0.00 59.70 57.40 3k4f h MET 111 Cb 0.83 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.44 3k4f h MET 111 CO 0.07 0.85 0.37 1.96 1.06 0.00 0.00 176.91 181.22 3k4f h GLN 112 N 0.36 0.73 -0.75 1.72 4.20 -0.59 -0.88 115.11 119.90 3k4f h GLN 112 Ca 0.06 -0.04 -0.05 0.00 0.06 0.00 0.00 58.65 58.68 3k4f h GLN 112 Cb 0.68 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.26 3k4f h GLN 112 CO 0.04 0.48 0.29 0.00 -0.67 0.00 0.00 178.83 178.98 3k4f h ARG 113 N 0.75 1.14 0.07 1.46 3.08 -1.05 0.25 114.38 120.08 3k4f h ARG 113 Ca 0.22 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 3k4f h ARG 113 Cb -0.05 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 29.82 3k4f h ARG 113 CO -0.07 0.93 -0.03 -0.92 -1.07 0.00 0.00 179.97 178.82 3k4f h TYR 114 N 1.10 -0.08 -0.67 3.04 5.03 -1.32 -1.77 116.97 122.29 3k4f h TYR 114 Ca 0.25 -0.00 0.03 0.00 2.58 0.00 0.00 58.73 61.59 3k4f h TYR 114 Cb 0.23 0.03 -0.04 0.00 1.55 0.00 0.00 36.73 38.49 3k4f h TYR 114 CO 0.02 0.18 0.41 0.28 -1.32 0.00 0.00 178.16 177.73 3k4f h VAL 115 N -0.34 1.07 -0.20 1.81 2.07 -1.02 -1.41 116.25 118.22 3k4f h VAL 115 Ca -0.01 -0.27 0.04 0.00 0.82 0.00 0.00 66.70 67.28 3k4f h VAL 115 Cb 0.30 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 3k4f h VAL 115 CO 0.01 0.15 -0.05 0.50 0.02 0.00 0.00 177.57 178.20 3k4f h LYS 116 N 0.80 -0.00 -0.70 1.57 3.64 -0.42 -1.77 116.57 119.68 3k4f h LYS 116 Ca 0.28 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.61 3k4f h LYS 116 Cb 0.05 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 3k4f h LYS 116 CO -0.12 -0.00 0.27 -0.09 -2.27 0.00 0.00 179.45 177.24 3k4f h ARG 117 N -0.00 1.06 -0.55 1.90 9.65 -1.01 -1.04 114.38 124.40 3k4f h ARG 117 Ca 0.10 -0.20 0.03 0.00 -1.10 0.00 0.00 59.98 58.80 3k4f h ARG 117 Cb 0.15 -0.17 -0.04 0.00 -1.39 0.00 0.00 29.97 28.52 3k4f h ARG 117 CO -0.21 0.88 0.33 -0.07 2.80 0.00 0.00 179.97 183.70 3k4f h LEU 118 N 1.01 0.53 -0.58 3.80 3.38 -0.98 0.01 115.31 122.48 3k4f h LEU 118 Ca 0.23 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.07 3k4f h LEU 118 Cb 0.22 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3k4f h LEU 118 CO -0.02 0.37 -0.35 0.45 0.09 0.00 0.00 178.44 178.98 3k4f h HIS 119 N 0.65 0.89 -0.51 1.13 3.86 -1.15 -1.18 115.15 118.83 3k4f h HIS 119 Ca 0.22 -0.25 0.01 0.00 -1.16 0.00 0.00 60.37 59.19 3k4f h HIS 119 Cb 0.03 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.28 3k4f h HIS 119 CO -0.06 1.00 0.34 0.93 0.86 0.00 0.00 177.93 180.99 3k4f h GLU 120 N 0.63 0.66 0.35 2.45 5.08 -0.81 -1.27 114.58 121.67 3k4f h GLU 120 Ca 0.06 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3k4f h GLU 120 Cb 0.89 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.99 3k4f h GLU 120 CO 0.08 0.44 -0.17 0.28 -1.00 0.00 0.00 179.01 178.64 3k4f h VAL 121 N 0.68 0.65 -0.04 3.13 2.07 -0.90 -1.67 116.25 120.18 3k4f h VAL 121 Ca 0.19 -0.41 0.01 0.00 0.82 0.00 0.00 66.70 67.31 3k4f h VAL 121 Cb -0.07 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 3k4f h VAL 121 CO -0.04 0.08 0.03 1.23 0.02 0.00 0.00 177.57 178.88 3k4f h GLY 122 N -0.71 0.02 0.64 2.17 0.00 -1.15 0.28 103.07 104.32 3k4f h GLY 122 Ca -0.05 -0.01 -0.34 0.00 0.00 0.00 0.00 47.33 46.94 3k4f h GLY 122 CO 0.08 0.01 -1.97 0.54 0.00 0.00 0.00 176.54 175.20 3k4f n ARG 123 N -4.53 0.69 -0.01 4.80 1.74 -0.49 -4.48 116.66 114.39 3k4f n ARG 123 Ca -0.02 0.24 -0.00 0.00 -0.77 0.00 0.00 57.85 57.29 3k4f n ARG 123 Cb 0.11 -1.71 -0.02 0.00 -1.02 0.00 0.00 32.46 29.83 3k4f n ARG 123 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3k4f n THR 124 N -3.20 0.11 -3.03 0.55 -2.24 -0.63 -4.84 114.28 101.00 3k4f n THR 124 Ca -0.27 -0.08 -0.21 0.00 -2.27 0.00 0.00 64.05 61.21 3k4f n THR 124 Cb 1.06 -0.58 -0.03 0.00 -2.10 0.00 0.00 70.33 68.68 3k4f n THR 124 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3k4f n GLU 125 N -1.95 2.00 0.24 -0.78 1.02 0.89 -4.95 120.64 117.12 3k4f n GLU 125 Ca -0.03 -4.02 0.17 0.00 -0.02 0.00 0.00 57.16 53.26 3k4f n GLU 125 Cb 0.44 -1.92 0.86 0.00 -0.02 0.00 0.00 31.44 30.80 3k4f n GLU 125 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3k4f h PRO 126 N 2.97 0.00 0.00 3.49 0.13 -1.53 -1.19 132.00 135.87 3k4f h PRO 126 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 3k4f h PRO 126 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 3k4f h PRO 126 CO 0.64 0.00 0.00 1.05 -0.23 0.00 0.00 178.00 179.46 3k4f h GLU 127 N 0.00 0.00 -0.02 0.86 9.09 -1.87 -2.64 114.58 120.00 3k4f h GLU 127 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 3k4f h GLU 127 Cb 0.06 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.16 3k4f h GLU 127 CO 0.00 0.00 -0.34 1.28 0.05 0.00 0.00 179.01 180.00 3k4f n LEU 128 N -2.80 1.91 0.20 3.06 4.77 -0.45 -4.36 117.00 119.33 3k4f n LEU 128 Ca 0.00 -0.67 0.07 0.00 -0.03 0.00 0.00 56.01 55.39 3k4f n LEU 128 Cb 0.23 -0.03 0.58 0.00 -2.33 0.00 0.00 43.42 41.88 3k4f n LEU 128 CO 0.23 0.35 1.07 0.25 -1.33 0.00 0.00 177.39 177.96 3k4f h LEU 129 N 2.46 0.11 -1.67 2.23 5.85 -1.59 -0.88 115.31 121.82 3k4f h LEU 129 Ca 0.00 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.77 3k4f h LEU 129 Cb 0.72 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.70 3k4f h LEU 129 CO 0.00 0.09 0.31 1.62 -0.34 0.00 0.00 178.44 180.12 3k4f h VAL 130 N 0.12 0.99 -0.56 1.05 3.04 -1.79 -0.18 116.25 118.92 3k4f h VAL 130 Ca 0.03 -0.14 -0.10 0.00 -1.01 0.00 0.00 66.70 65.48 3k4f h VAL 130 Cb 0.02 0.53 -0.02 0.00 -2.01 0.00 0.00 31.29 29.81 3k4f h VAL 130 CO -0.00 0.08 -0.05 0.00 -1.01 0.00 0.00 177.57 176.58 3k4f h ALA 131 N 1.75 0.85 -0.02 3.17 0.00 -1.46 0.15 119.26 123.70 3k4f h ALA 131 Ca 0.20 -0.33 -0.25 0.00 0.00 0.00 0.00 54.91 54.54 3k4f h ALA 131 Cb 0.25 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 17.85 3k4f h ALA 131 CO -0.05 0.66 -0.97 0.45 0.00 0.00 0.00 179.25 179.34 3k4f h HIS 132 N 0.92 0.88 -0.53 0.00 -0.00 -1.46 -2.15 115.15 112.81 3k4f h HIS 132 Ca 0.16 -0.47 -0.09 0.00 -0.00 0.00 0.00 60.37 59.97 3k4f h HIS 132 Cb 0.60 -0.10 -0.02 0.00 -0.00 0.00 0.00 27.41 27.88 3k4f h HIS 132 CO 0.04 1.29 -0.02 0.00 -0.00 0.00 0.00 177.93 179.25 3k4f h ALA 133 N 0.56 0.96 -0.01 2.45 0.00 -0.97 -1.10 119.26 121.15 3k4f h ALA 133 Ca -0.10 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 3k4f h ALA 133 Cb 1.61 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 3k4f h ALA 133 CO 0.18 0.63 0.01 -0.92 0.00 0.00 0.00 179.25 179.15 3k4f h TYR 134 N 0.85 0.02 -0.49 0.00 3.20 -0.72 -0.98 116.97 118.85 3k4f h TYR 134 Ca 0.15 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 62.01 3k4f h TYR 134 Cb 0.52 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.77 3k4f h TYR 134 CO 0.03 0.09 0.23 1.15 -1.64 0.00 0.00 178.16 178.02 3k4f h THR 135 N -0.05 1.19 0.16 1.81 2.02 -1.22 -2.78 112.91 114.03 3k4f h THR 135 Ca 0.01 -0.54 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 3k4f h THR 135 Cb 0.07 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 3k4f h THR 135 CO -0.00 0.21 -0.07 0.03 0.37 0.00 0.00 175.52 176.05 3k4f h ARG 136 N 0.64 -0.20 0.46 6.66 2.47 -1.25 -3.29 114.38 119.87 3k4f h ARG 136 Ca 0.17 0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.88 3k4f h ARG 136 Cb 0.12 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.49 3k4f h ARG 136 CO -0.02 -0.13 -0.22 1.88 0.56 0.00 0.00 179.97 182.04 3k4f h TYR 137 N -0.56 -0.57 -0.23 3.04 0.05 -1.27 -0.18 116.97 117.26 3k4f h TYR 137 Ca -0.02 -0.01 -0.08 0.00 0.05 0.00 0.00 58.73 58.66 3k4f h TYR 137 Cb 0.16 0.19 -0.01 0.00 1.01 0.00 0.00 36.73 38.07 3k4f h TYR 137 CO 0.04 -0.31 -0.20 -0.07 -1.05 0.00 0.00 178.16 176.56 3k4f h LEU 138 N -0.69 0.41 0.25 3.88 4.07 -1.63 0.17 115.31 121.77 3k4f h LEU 138 Ca -0.06 -0.12 -0.01 0.00 0.08 0.00 0.00 57.88 57.76 3k4f h LEU 138 Cb 0.51 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.14 3k4f h LEU 138 CO 0.10 0.63 -0.12 1.23 -1.08 0.00 0.00 178.44 179.21 3k4f h GLY 139 N 0.97 -0.35 1.70 0.83 0.00 -1.61 -1.96 103.07 102.65 3k4f h GLY 139 Ca 0.06 0.13 -0.06 0.00 0.00 0.00 0.00 47.33 47.46 3k4f h GLY 139 CO 0.04 -0.13 -0.12 -0.55 0.00 0.00 0.00 176.54 175.78 3k4f h ASP 140 N -0.58 0.35 -0.45 0.19 5.19 -0.78 -2.17 116.42 118.17 3k4f h ASP 140 Ca -0.03 -0.08 -0.13 0.00 -0.62 0.00 0.00 57.03 56.17 3k4f h ASP 140 Cb 0.42 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.83 3k4f h ASP 140 CO 0.06 0.50 -0.21 0.25 -3.12 0.00 0.00 179.24 176.72 3k4f h LEU 141 N 0.35 0.96 -0.48 1.55 5.85 -0.70 -0.34 115.31 122.50 3k4f h LEU 141 Ca 0.07 -0.40 -0.06 0.00 0.84 0.00 0.00 57.88 58.33 3k4f h LEU 141 Cb 0.42 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 3k4f h LEU 141 CO 0.02 1.15 0.05 0.28 -0.34 0.00 0.00 178.44 179.60 3k4f h SER 142 N 0.77 0.78 -0.01 1.25 0.02 -0.96 -3.29 113.55 112.11 3k4f h SER 142 Ca 0.10 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 3k4f h SER 142 Cb 0.78 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.11 3k4f h SER 142 CO 0.06 0.86 -0.56 0.61 -1.14 0.00 0.00 176.83 176.66 3k4f n GLY 143 N -0.47 -0.13 0.35 -3.77 0.00 -0.85 -4.70 105.19 95.61 3k4f n GLY 143 Ca 0.01 -0.64 -0.05 0.00 0.00 0.00 0.00 46.02 45.34 3k4f n GLY 143 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3k4f h GLY 144 N 4.87 -0.11 2.00 -0.02 0.00 -1.12 0.11 103.07 108.80 3k4f h GLY 144 Ca 0.00 0.45 -0.15 0.00 0.00 0.00 0.00 47.33 47.62 3k4f h GLY 144 CO 0.00 -0.20 -0.73 1.46 0.00 0.00 0.00 176.54 177.07 3k4f h GLN 145 N -0.15 0.00 -0.19 4.80 1.08 -1.84 -1.96 115.11 116.84 3k4f h GLN 145 Ca 0.24 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.36 3k4f h GLN 145 Cb 0.55 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.98 3k4f h GLN 145 CO -0.70 0.73 -0.20 0.28 -0.95 0.00 0.00 178.83 177.98 3k4f h VAL 146 N 0.00 1.33 -0.42 -0.54 2.07 -1.73 -2.45 116.25 114.51 3k4f h VAL 146 Ca -0.01 -1.37 -0.10 0.00 0.82 0.00 0.00 66.70 66.05 3k4f h VAL 146 Cb 1.49 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 33.03 3k4f h VAL 146 CO 0.09 0.41 -0.13 -0.07 0.02 0.00 0.00 177.57 177.90 3k4f h LEU 147 N 0.14 0.76 -0.29 2.57 3.38 -0.81 -2.47 115.31 118.59 3k4f h LEU 147 Ca 0.03 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.77 3k4f h LEU 147 Cb 0.75 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3k4f h LEU 147 CO 0.05 0.91 0.19 0.50 0.09 0.00 0.00 178.44 180.18 3k4f h LYS 148 N 0.69 0.39 -0.50 1.13 3.64 -1.38 -1.13 116.57 119.41 3k4f h LYS 148 Ca 0.11 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 3k4f h LYS 148 Cb 0.61 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 3k4f h LYS 148 CO 0.04 0.27 0.12 -0.22 -2.27 0.00 0.00 179.45 177.39 3k4f h LYS 149 N 0.39 0.76 -0.26 1.90 3.64 -1.26 0.22 116.57 121.96 3k4f h LYS 149 Ca 0.11 -0.15 -0.04 0.00 -1.27 0.00 0.00 60.65 59.29 3k4f h LYS 149 Cb -0.03 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 3k4f h LYS 149 CO -0.02 0.69 -0.01 0.82 -2.27 0.00 0.00 179.45 178.66 3k4f h ILE 150 N 0.74 1.26 -0.81 2.00 2.04 -1.33 -2.70 117.51 118.72 3k4f h ILE 150 Ca 0.17 -0.95 -0.04 0.00 1.00 0.00 0.00 64.86 65.04 3k4f h ILE 150 Cb 0.27 1.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.67 3k4f h ILE 150 CO -0.00 0.30 0.35 0.00 0.00 0.00 0.00 178.15 178.79 3k4f h ALA 151 N 0.81 1.09 -0.42 1.87 0.00 -0.53 -1.55 119.26 120.53 3k4f h ALA 151 Ca 0.07 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3k4f h ALA 151 Cb 0.44 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3k4f h ALA 151 CO 0.02 0.66 0.23 1.96 0.00 0.00 0.00 179.25 182.12 3k4f h GLN 152 N 1.17 0.59 -0.45 0.00 4.20 -0.59 -1.15 115.11 118.87 3k4f h GLN 152 Ca 0.27 -0.07 -0.12 0.00 0.06 0.00 0.00 58.65 58.80 3k4f h GLN 152 Cb 0.18 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 3k4f h GLN 152 CO -0.03 0.48 -0.18 -0.22 -0.67 0.00 0.00 178.83 178.21 3k4f h LYS 153 N 0.55 0.91 0.12 1.46 3.64 -1.27 -3.28 116.57 118.71 3k4f h LYS 153 Ca 0.15 -0.38 -0.31 0.00 -1.27 0.00 0.00 60.65 58.83 3k4f h LYS 153 Cb 0.06 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 3k4f h LYS 153 CO -0.02 1.04 -1.59 0.00 -2.27 0.00 0.00 179.45 176.60 3k4f h ALA 154 N 0.85 0.28 0.00 5.00 0.00 -1.24 -3.39 119.26 120.77 3k4f h ALA 154 Ca 0.11 -1.14 -0.01 0.00 0.00 0.00 0.00 54.91 53.87 3k4f h ALA 154 Cb 0.74 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 3k4f h ALA 154 CO 0.06 1.15 -0.82 -0.07 0.00 0.00 0.00 179.25 179.56 3k4f h LEU 155 N 0.07 0.00 -2.97 0.00 3.38 -1.34 -3.49 115.31 110.96 3k4f h LEU 155 Ca -0.27 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.44 3k4f h LEU 155 Cb 2.03 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.81 3k4f h LEU 155 CO 0.16 0.03 -0.59 -0.67 0.09 0.00 0.00 178.44 177.46 3k4f n ASP 156 N -2.78 -6.31 -4.79 -0.43 4.64 -1.23 -4.96 116.55 100.69 3k4f n ASP 156 Ca 0.00 -0.59 -0.32 0.00 -1.38 0.00 0.00 54.79 52.50 3k4f n ASP 156 Cb 0.56 -3.80 0.05 0.00 -1.04 0.00 0.00 41.12 36.89 3k4f n ASP 156 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 3k4f s LEU 157 N -4.95 3.26 1.01 -2.67 1.43 -1.26 -5.06 118.68 110.44 3k4f s LEU 157 Ca 0.14 1.82 -0.13 0.00 -1.03 0.00 0.00 54.13 54.93 3k4f s LEU 157 Cb -0.04 -4.53 0.19 0.00 0.03 0.00 0.00 46.19 41.84 3k4f s LEU 157 CO 0.82 -1.58 1.10 -2.16 0.23 0.00 0.00 176.35 174.77 3k4f s PRO 158 N -4.52 0.37 -0.70 1.29 0.04 -1.26 -4.93 135.00 125.29 3k4f s PRO 158 Ca 0.62 0.40 -0.06 0.00 0.04 0.00 0.00 61.00 62.00 3k4f s PRO 158 Cb -0.17 -1.74 -0.07 0.00 0.04 0.00 0.00 34.50 32.56 3k4f s PRO 158 CO 0.47 -2.75 3.03 -1.13 0.04 0.00 0.00 177.00 176.66 3k4f n SER 159 N -4.17 6.83 -0.02 6.66 3.41 -1.26 -4.48 113.62 120.59 3k4f n SER 159 Ca 0.06 -2.82 0.11 0.00 -0.26 0.00 0.00 58.87 55.95 3k4f n SER 159 Cb 0.58 -1.39 0.03 0.00 -0.26 0.00 0.00 64.21 63.17 3k4f n SER 159 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3k4f n SER 160 N 2.12 0.84 -2.36 4.04 2.88 -1.26 -4.98 113.62 114.90 3k4f n SER 160 Ca 0.56 -0.73 -0.19 0.00 -1.33 0.00 0.00 58.87 57.18 3k4f n SER 160 Cb 0.55 0.69 0.01 0.00 -0.75 0.00 0.00 64.21 64.72 3k4f n SER 160 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3k4f n GLY 161 N 1.50 -0.35 3.17 0.46 0.00 -1.26 -5.00 105.19 103.70 3k4f n GLY 161 Ca 0.05 -0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 3k4f n GLY 161 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3k4f s GLU 162 N -5.26 0.70 0.00 1.61 2.02 -1.26 -4.96 118.70 111.55 3k4f s GLU 162 Ca 0.15 -0.72 0.00 0.00 0.02 0.00 0.00 54.97 54.42 3k4f s GLU 162 Cb -0.07 0.29 0.00 0.00 0.10 0.00 0.00 34.13 34.45 3k4f s GLU 162 CO 0.19 -0.20 0.00 0.41 0.02 0.00 0.00 175.26 175.68 3k4f n GLY 163 N 0.56 2.08 0.68 -1.39 0.00 -1.26 -4.94 105.19 100.91 3k4f n GLY 163 Ca -0.18 0.00 0.05 0.00 0.00 0.00 0.00 46.02 45.89 3k4f n GLY 163 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3k4f n LEU 164 N 0.00 1.63 0.21 0.99 4.77 -1.26 -4.80 117.00 118.53 3k4f n LEU 164 Ca 0.00 -2.62 0.05 0.00 -0.03 0.00 0.00 56.01 53.41 3k4f n LEU 164 Cb 0.00 -0.26 0.52 0.00 -2.33 0.00 0.00 43.42 41.35 3k4f n LEU 164 CO 0.00 0.77 0.95 0.00 -1.33 0.00 0.00 177.39 177.78 3k4f h ALA 165 N 0.55 1.75 -0.42 -1.18 0.00 -1.92 -2.81 119.26 115.23 3k4f h ALA 165 Ca -0.06 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.78 3k4f h ALA 165 Cb 1.31 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 3k4f h ALA 165 CO 0.03 0.19 0.28 0.35 0.00 0.00 0.00 179.25 180.10 3k4f h PHE 166 N 0.06 0.36 -0.00 0.00 3.57 -1.88 -2.78 116.94 116.26 3k4f h PHE 166 Ca 0.01 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3k4f h PHE 166 Cb 0.23 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.85 3k4f h PHE 166 CO 0.00 0.20 -0.13 1.19 -2.23 0.00 0.00 178.31 177.34 3k4f n PHE 167 N -4.48 0.00 -4.38 0.41 3.72 -1.06 -4.67 117.46 107.00 3k4f n PHE 167 Ca 0.05 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.11 3k4f n PHE 167 Cb 0.22 -0.25 -0.14 0.00 -0.94 0.00 0.00 39.48 38.38 3k4f n PHE 167 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 3k4f s THR 168 N -2.62 3.29 -0.69 4.37 2.01 -1.05 -3.95 115.64 117.01 3k4f s THR 168 Ca 0.24 -0.55 -0.16 0.00 0.31 0.00 0.00 61.69 61.53 3k4f s THR 168 Cb 0.20 -2.44 0.16 0.00 0.01 0.00 0.00 72.50 70.43 3k4f s THR 168 CO 0.51 0.48 0.69 -0.36 -0.69 0.00 0.00 174.62 175.25 3k4f s PHE 169 N 0.78 3.38 0.34 4.92 0.40 -1.26 -4.95 117.98 121.59 3k4f s PHE 169 Ca -0.03 -1.50 0.25 0.00 -0.60 0.00 0.00 56.93 55.05 3k4f s PHE 169 Cb -0.15 -3.89 1.24 0.00 0.51 0.00 0.00 43.02 40.73 3k4f s PHE 169 CO 0.01 -1.10 1.98 -1.00 0.70 0.00 0.00 175.22 175.82 3k4f h PRO 170 N 8.53 0.00 -0.53 0.24 0.13 -1.93 -2.35 132.00 136.09 3k4f h PRO 170 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 3k4f h PRO 170 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 3k4f h PRO 170 CO 0.95 0.17 0.00 0.09 -0.23 0.00 0.00 178.00 178.99 3k4f n ASN 171 N -3.62 3.05 -4.02 1.44 5.03 -1.26 -4.66 115.26 111.22 3k4f n ASN 171 Ca -0.01 -1.98 -0.31 0.00 0.87 0.00 0.00 54.58 53.15 3k4f n ASN 171 Cb 0.31 -0.35 -0.15 0.00 -1.02 0.00 0.00 39.78 38.56 3k4f n ASN 171 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3k4f s ILE 172 N -1.30 2.10 0.05 2.41 1.01 -0.89 -4.74 121.20 119.85 3k4f s ILE 172 Ca 0.38 -1.89 -0.18 0.00 0.00 0.00 0.00 60.65 58.97 3k4f s ILE 172 Cb 0.20 -2.38 -0.17 0.00 0.01 0.00 0.00 42.46 40.13 3k4f s ILE 172 CO 0.27 -0.31 1.26 0.00 0.00 0.00 0.00 174.94 176.16 3k4f h ALA 173 N 7.73 0.22 -3.32 9.38 0.00 -1.83 -3.44 119.26 128.01 3k4f h ALA 173 Ca -0.12 -0.47 -0.62 0.00 0.00 0.00 0.00 54.91 53.69 3k4f h ALA 173 Cb 1.03 -0.02 -0.36 0.00 0.00 0.00 0.00 17.79 18.44 3k4f h ALA 173 CO 0.48 0.34 -0.82 0.45 0.00 0.00 0.00 179.25 179.70 3k4f s SER 174 N -6.58 3.24 0.18 0.00 0.15 -1.26 -5.02 113.70 104.40 3k4f s SER 174 Ca -0.13 -0.78 -0.12 0.00 0.70 0.00 0.00 55.95 55.62 3k4f s SER 174 Cb 0.06 -1.28 0.09 0.00 -1.71 0.00 0.00 66.02 63.18 3k4f s SER 174 CO 0.81 -0.10 1.77 0.00 1.20 0.00 0.00 173.24 176.92 3k4f h ALA 175 N 7.98 0.80 -0.40 5.45 0.00 -1.95 -1.93 119.26 129.21 3k4f h ALA 175 Ca -0.33 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3k4f h ALA 175 Cb 1.11 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3k4f h ALA 175 CO 0.51 0.37 0.26 1.15 0.00 0.00 0.00 179.25 181.54 3k4f h THR 176 N 0.85 1.11 -0.16 0.00 2.02 -1.98 0.79 112.91 115.55 3k4f h THR 176 Ca 0.21 -0.20 0.03 0.00 0.77 0.00 0.00 66.41 67.22 3k4f h THR 176 Cb 0.12 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.03 3k4f h THR 176 CO -0.03 0.10 -0.03 0.50 0.37 0.00 0.00 175.52 176.44 3k4f h LYS 177 N 0.54 0.01 -0.40 6.66 3.64 -1.93 -1.62 116.57 123.47 3k4f h LYS 177 Ca 0.15 -0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.42 3k4f h LYS 177 Cb -0.05 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 3k4f h LYS 177 CO -0.03 0.01 -0.16 0.35 -2.27 0.00 0.00 179.45 177.34 3k4f h PHE 178 N 0.01 0.94 -0.89 1.91 3.57 -1.20 -2.87 116.94 118.41 3k4f h PHE 178 Ca 0.08 -0.22 -0.00 0.00 3.53 0.00 0.00 57.97 61.35 3k4f h PHE 178 Cb 0.11 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 38.59 3k4f h PHE 178 CO -0.18 0.98 0.54 0.87 -2.23 0.00 0.00 178.31 178.29 3k4f h LYS 179 N 0.63 1.21 -0.80 1.11 1.57 -0.67 0.23 116.57 119.85 3k4f h LYS 179 Ca 0.09 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 3k4f h LYS 179 Cb 0.71 -0.26 -0.04 0.00 0.08 0.00 0.00 32.23 32.73 3k4f h LYS 179 CO 0.05 0.84 0.34 1.96 -0.57 0.00 0.00 179.45 182.07 3k4f h GLN 180 N 1.23 1.18 -0.33 3.15 1.08 -1.29 -0.07 115.11 120.06 3k4f h GLN 180 Ca 0.32 -0.20 -0.06 0.00 -1.45 0.00 0.00 58.65 57.26 3k4f h GLN 180 Cb -0.06 -0.20 -0.01 0.00 -0.05 0.00 0.00 27.48 27.16 3k4f h GLN 180 CO -0.06 0.94 -0.01 1.25 -0.95 0.00 0.00 178.83 180.00 3k4f h LEU 181 N 1.16 0.58 -0.69 1.46 5.85 -1.14 -2.41 115.31 120.13 3k4f h LEU 181 Ca 0.27 -0.31 -0.07 0.00 0.84 0.00 0.00 57.88 58.61 3k4f h LEU 181 Cb 0.18 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 3k4f h LEU 181 CO -0.03 0.76 0.15 0.22 -0.34 0.00 0.00 178.44 179.20 3k4f h TYR 182 N 0.40 1.17 -0.48 1.25 3.20 -0.35 -1.49 116.97 120.67 3k4f h TYR 182 Ca 0.09 -0.15 -0.01 0.00 3.14 0.00 0.00 58.73 61.81 3k4f h TYR 182 Cb 0.46 -0.33 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 3k4f h TYR 182 CO 0.04 0.96 0.27 0.00 -1.64 0.00 0.00 178.16 177.79 3k4f h ARG 183 N 1.04 0.66 -0.93 1.82 3.08 -1.01 0.18 114.38 119.21 3k4f h ARG 183 Ca 0.21 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.20 3k4f h ARG 183 Cb 0.39 -0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.26 3k4f h ARG 183 CO 0.01 0.51 0.60 1.03 -1.07 0.00 0.00 179.97 181.05 3k4f h SER 184 N 0.63 1.09 -0.14 7.04 0.87 -1.19 0.24 113.55 122.08 3k4f h SER 184 Ca 0.17 -0.04 -0.12 0.00 -1.23 0.00 0.00 61.79 60.57 3k4f h SER 184 Cb 0.03 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.71 3k4f h SER 184 CO -0.03 0.80 -0.31 0.03 -0.53 0.00 0.00 176.83 176.80 3k4f h ARG 185 N 1.27 0.63 -0.68 2.24 2.47 -0.94 0.41 114.38 119.78 3k4f h ARG 185 Ca 0.34 -0.28 -0.02 0.00 -1.26 0.00 0.00 59.98 58.76 3k4f h ARG 185 Cb -0.12 -0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.15 3k4f h ARG 185 CO -0.07 0.86 0.34 0.52 0.56 0.00 0.00 179.97 182.18 3k4f h MET 186 N 0.54 0.98 0.00 0.04 2.86 -0.48 -2.84 114.93 116.03 3k4f h MET 186 Ca 0.06 -0.13 -0.03 0.00 -2.06 0.00 0.00 59.70 57.54 3k4f h MET 186 Cb 0.79 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 32.27 3k4f h MET 186 CO 0.07 0.76 -0.13 -0.91 1.06 0.00 0.00 176.91 177.75 3k4f h ASN 187 N 0.95 0.00 1.30 1.22 2.35 -0.55 -2.94 115.58 117.90 3k4f h ASN 187 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 3k4f h ASN 187 Cb 0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.46 3k4f h ASN 187 CO -0.03 0.13 0.00 0.77 -1.65 0.00 0.00 177.43 176.65 3k4f h SER 188 N 0.00 0.00 -2.52 5.81 4.64 -0.67 -3.46 113.55 117.35 3k4f h SER 188 Ca -0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 3k4f h SER 188 Cb 0.70 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.82 3k4f h SER 188 CO 0.02 0.00 1.12 -0.76 -0.87 0.00 0.00 176.83 176.34 3k4f s LEU 189 N -5.13 4.40 -0.28 5.97 1.02 -1.11 -4.96 118.68 118.59 3k4f s LEU 189 Ca 0.07 2.74 -0.26 0.00 0.02 0.00 0.00 54.13 56.70 3k4f s LEU 189 Cb 0.09 -3.56 0.00 0.00 0.02 0.00 0.00 46.19 42.75 3k4f s LEU 189 CO 0.55 -1.01 0.89 -0.70 0.02 0.00 0.00 176.35 176.10 3k4f s GLU 190 N 2.96 4.10 -0.01 1.70 2.56 -1.26 -5.03 118.70 123.71 3k4f s GLU 190 Ca 0.82 0.91 -0.16 0.00 0.00 0.00 0.00 54.97 56.53 3k4f s GLU 190 Cb -0.45 -3.69 0.03 0.00 2.00 0.00 0.00 34.13 32.02 3k4f s GLU 190 CO 0.37 -0.66 0.35 0.00 -0.56 0.00 0.00 175.26 174.76 3k4f s MET 191 N 3.08 0.72 0.77 4.30 0.23 -1.26 -4.93 119.30 122.21 3k4f s MET 191 Ca 0.37 -0.18 -0.11 0.00 -1.03 0.00 0.00 55.69 54.74 3k4f s MET 191 Cb -0.14 0.32 0.05 0.00 -1.53 0.00 0.00 34.83 33.53 3k4f s MET 191 CO 0.10 -0.21 1.08 0.95 -2.03 0.00 0.00 175.02 174.92 3k4f s THR 192 N -1.43 3.38 0.32 3.16 -4.23 -1.26 -4.81 115.64 110.78 3k4f s THR 192 Ca -0.13 0.45 0.07 0.00 -1.18 0.00 0.00 61.69 60.90 3k4f s THR 192 Cb -0.04 -3.10 0.31 0.00 1.34 0.00 0.00 72.50 71.01 3k4f s THR 192 CO 0.04 -0.59 1.81 -0.65 -0.54 0.00 0.00 174.62 174.69 3k4f h PRO 193 N -1.04 0.75 -0.17 3.99 0.11 -2.02 -0.52 132.00 133.10 3k4f h PRO 193 Ca -0.46 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 3k4f h PRO 193 Cb 1.24 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3k4f h PRO 193 CO 0.56 0.49 0.01 0.00 -0.21 0.00 0.00 178.00 178.85 3k4f h ALA 194 N 1.61 0.22 -0.43 -0.75 0.00 -2.00 -2.46 119.26 115.46 3k4f h ALA 194 Ca 0.54 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 3k4f h ALA 194 Cb 0.83 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3k4f h ALA 194 CO -0.31 -0.08 0.16 0.28 0.00 0.00 0.00 179.25 179.30 3k4f h VAL 195 N 0.04 1.21 -0.55 0.00 2.07 -1.85 -2.44 116.25 114.72 3k4f h VAL 195 Ca 0.05 -0.64 0.09 0.00 0.82 0.00 0.00 66.70 67.01 3k4f h VAL 195 Cb 0.37 0.83 -0.07 0.00 -1.52 0.00 0.00 31.29 30.89 3k4f h VAL 195 CO 0.01 0.23 0.16 -0.09 0.02 0.00 0.00 177.57 177.90 3k4f h ARG 196 N 0.55 0.31 -0.63 1.57 2.43 -1.08 0.14 114.38 117.67 3k4f h ARG 196 Ca 0.14 -0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.24 3k4f h ARG 196 Cb 0.21 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 3k4f h ARG 196 CO -0.01 0.20 0.18 0.37 -1.51 0.00 0.00 179.97 179.20 3k4f h GLN 197 N 0.32 0.97 -0.24 0.20 5.75 -1.33 -1.98 115.11 118.80 3k4f h GLN 197 Ca 0.28 -0.20 -0.12 0.00 -0.15 0.00 0.00 58.65 58.46 3k4f h GLN 197 Cb 0.36 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.75 3k4f h GLN 197 CO -0.32 0.85 -0.35 0.00 -2.65 0.00 0.00 178.83 176.35 3k4f h ARG 198 N 0.93 0.52 -0.21 1.69 3.08 -0.78 -1.44 114.38 118.18 3k4f h ARG 198 Ca 0.20 -0.24 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 3k4f h ARG 198 Cb 0.30 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.33 3k4f h ARG 198 CO -0.00 0.80 0.12 0.28 -1.07 0.00 0.00 179.97 180.10 3k4f h VAL 199 N 0.44 1.10 -0.32 2.04 2.07 -0.54 -0.18 116.25 120.85 3k4f h VAL 199 Ca 0.05 -0.25 0.06 0.00 0.82 0.00 0.00 66.70 67.37 3k4f h VAL 199 Cb 0.82 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 31.42 3k4f h VAL 199 CO 0.07 0.09 -0.01 0.40 0.02 0.00 0.00 177.57 178.15 3k4f h ILE 200 N 0.25 0.76 -0.58 4.57 1.08 -1.17 -1.67 117.51 120.75 3k4f h ILE 200 Ca 0.07 -0.03 -0.05 0.00 -0.39 0.00 0.00 64.86 64.47 3k4f h ILE 200 Cb 0.04 0.66 -0.03 0.00 -3.07 0.00 0.00 36.82 34.43 3k4f h ILE 200 CO -0.01 0.02 0.17 -0.33 -0.69 0.00 0.00 178.15 177.30 3k4f h GLU 201 N 0.09 0.87 -0.27 2.37 4.39 -1.10 -2.78 114.58 118.15 3k4f h GLU 201 Ca 0.16 -0.17 -0.09 0.00 0.34 0.00 0.00 59.36 59.60 3k4f h GLU 201 Cb 0.21 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 3k4f h GLU 201 CO -0.27 0.76 -0.21 1.49 -1.16 0.00 0.00 179.01 179.62 3k4f h GLU 202 N 0.84 0.49 -0.76 2.33 4.57 -0.57 -1.49 114.58 120.00 3k4f h GLU 202 Ca 0.19 -0.17 -0.03 0.00 -1.18 0.00 0.00 59.36 58.17 3k4f h GLU 202 Cb 0.26 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.78 3k4f h GLU 202 CO -0.01 0.68 0.35 0.00 -1.18 0.00 0.00 179.01 178.85 3k4f h ALA 203 N 1.34 0.98 -0.47 2.92 0.00 -1.04 0.17 119.26 123.15 3k4f h ALA 203 Ca 0.07 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 3k4f h ALA 203 Cb 0.62 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3k4f h ALA 203 CO 0.04 0.56 -0.09 -0.22 0.00 0.00 0.00 179.25 179.54 3k4f h LYS 204 N 1.07 0.89 -0.65 0.00 3.64 -1.34 -1.49 116.57 118.70 3k4f h LYS 204 Ca 0.26 -0.33 0.04 0.00 -1.27 0.00 0.00 60.65 59.35 3k4f h LYS 204 Cb 0.14 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.86 3k4f h LYS 204 CO -0.03 0.98 0.38 1.15 -2.27 0.00 0.00 179.45 179.66 3k4f h THR 205 N 0.74 1.02 -0.44 1.00 2.02 -0.99 0.05 112.91 116.31 3k4f h THR 205 Ca 0.12 -0.25 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 3k4f h THR 205 Cb 0.64 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 3k4f h THR 205 CO 0.04 0.13 0.26 0.00 0.37 0.00 0.00 175.52 176.32 3k4f h ALA 206 N 1.31 0.56 -0.88 6.16 0.00 -0.42 0.95 119.26 126.94 3k4f h ALA 206 Ca 0.28 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3k4f h ALA 206 Cb 0.11 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 3k4f h ALA 206 CO -0.15 0.06 0.48 0.74 0.00 0.00 0.00 179.25 180.39 3k4f h PHE 207 N 0.58 1.22 -0.16 0.00 0.04 -1.00 -2.32 116.94 115.30 3k4f h PHE 207 Ca 0.16 -0.03 -0.13 0.00 2.80 0.00 0.00 57.97 60.77 3k4f h PHE 207 Cb 0.01 -0.39 -0.01 0.00 2.20 0.00 0.00 35.95 37.76 3k4f h PHE 207 CO -0.03 0.84 -0.45 -0.07 -0.60 0.00 0.00 178.31 178.01 3k4f h LEU 208 N 1.24 0.43 -1.08 1.54 3.38 -0.47 -0.75 115.31 119.59 3k4f h LEU 208 Ca 0.31 -0.20 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 3k4f h LEU 208 Cb 0.03 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3k4f h LEU 208 CO -0.05 0.82 -0.05 -0.07 0.09 0.00 0.00 178.44 179.17 3k4f h LEU 209 N 0.32 0.56 -0.31 1.67 3.38 -0.63 0.21 115.31 120.51 3k4f h LEU 209 Ca 0.02 -0.13 -0.13 0.00 0.09 0.00 0.00 57.88 57.74 3k4f h LEU 209 Cb 0.92 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 3k4f h LEU 209 CO 0.08 0.67 -0.30 0.78 0.09 0.00 0.00 178.44 179.76 3k4f h ASN 210 N 0.55 0.79 -0.09 -0.43 2.35 -1.07 -1.87 115.58 115.81 3k4f h ASN 210 Ca 0.11 -0.47 -0.00 0.00 -0.55 0.00 0.00 56.30 55.39 3k4f h ASN 210 Cb 0.43 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.58 3k4f h ASN 210 CO 0.02 1.10 0.05 0.40 -1.65 0.00 0.00 177.43 177.34 3k4f h ILE 211 N 0.50 1.11 -0.60 2.81 2.04 -0.94 -1.71 117.51 120.71 3k4f h ILE 211 Ca 0.05 -0.31 0.03 0.00 1.00 0.00 0.00 64.86 65.62 3k4f h ILE 211 Cb 0.87 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 38.07 3k4f h ILE 211 CO 0.07 0.09 0.40 1.56 0.00 0.00 0.00 178.15 180.28 3k4f h GLN 212 N 0.03 0.71 0.25 2.37 4.20 -1.01 -1.43 115.11 120.24 3k4f h GLN 212 Ca 0.03 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 3k4f h GLN 212 Cb 0.11 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 27.73 3k4f h GLN 212 CO -0.00 0.47 -0.12 1.25 -0.67 0.00 0.00 178.83 179.75 3k4f h LEU 213 N 0.73 -0.29 -1.47 1.46 5.85 -1.05 -2.33 115.31 118.22 3k4f h LEU 213 Ca 0.23 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 3k4f h LEU 213 Cb 0.03 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3k4f h LEU 213 CO -0.06 0.01 -0.17 -0.26 -0.34 0.00 0.00 178.44 177.62 3k4f h PHE 214 N -0.60 0.00 -0.28 1.25 0.04 -1.13 -0.32 116.94 115.90 3k4f h PHE 214 Ca -0.03 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.64 3k4f h PHE 214 Cb 0.44 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.58 3k4f h PHE 214 CO 0.01 0.17 -0.20 0.93 -0.60 0.00 0.00 178.31 178.62 3k4f h GLU 215 N 0.00 0.63 -0.34 1.51 5.08 -1.28 -2.16 114.58 118.02 3k4f h GLU 215 Ca -0.00 -0.30 -0.03 0.00 -1.00 0.00 0.00 59.36 58.02 3k4f h GLU 215 Cb 0.57 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 3k4f h GLU 215 CO 0.02 0.90 0.10 1.49 -1.00 0.00 0.00 179.01 180.52 3k4f h GLU 216 N 0.36 0.54 -0.79 2.33 4.81 -0.80 -1.87 114.58 119.17 3k4f h GLU 216 Ca 0.05 -0.12 -0.01 0.00 -0.13 0.00 0.00 59.36 59.15 3k4f h GLU 216 Cb 0.75 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 30.01 3k4f h GLU 216 CO 0.05 0.58 0.46 -0.07 -0.73 0.00 0.00 179.01 179.31 3k4f h LEU 217 N 0.40 0.96 -0.67 1.64 3.38 -1.12 0.28 115.31 120.18 3k4f h LEU 217 Ca 0.11 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3k4f h LEU 217 Cb 0.27 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3k4f h LEU 217 CO -0.00 0.75 0.43 -0.61 0.09 0.00 0.00 178.44 179.10 3k4f h GLN 218 N 1.08 0.90 -0.73 1.13 5.75 -1.32 -1.55 115.11 120.37 3k4f h GLN 218 Ca 0.28 -0.07 -0.06 0.00 -0.15 0.00 0.00 58.65 58.65 3k4f h GLN 218 Cb -0.02 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 28.31 3k4f h GLN 218 CO -0.05 0.61 0.21 1.49 -2.65 0.00 0.00 178.83 178.45 3k4f h GLU 219 N 0.91 1.15 -0.13 1.69 4.81 -0.66 -2.91 114.58 119.44 3k4f h GLU 219 Ca 0.24 -0.25 -0.12 0.00 -0.13 0.00 0.00 59.36 59.10 3k4f h GLU 219 Cb -0.07 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.14 3k4f h GLU 219 CO -0.05 0.98 -0.43 -0.07 -0.73 0.00 0.00 179.01 178.72 3k4f h LEU 220 N 1.09 0.33 -0.63 1.64 3.38 -0.73 -3.11 115.31 117.28 3k4f h LEU 220 Ca 0.23 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3k4f h LEU 220 Cb 0.33 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3k4f h LEU 220 CO -0.00 0.72 0.00 -0.07 0.09 0.00 0.00 178.44 179.18 3k4f h LEU 221 N 0.26 0.00 -7.33 1.67 3.38 -1.09 -3.37 115.31 108.83 3k4f h LEU 221 Ca 0.02 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.35 3k4f h LEU 221 Cb 0.86 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 41.20 3k4f h LEU 221 CO 0.07 0.00 -0.61 0.42 0.09 0.00 0.00 178.44 178.41 3k4f s THR 222 N -3.36 2.69 -3.00 0.22 -4.23 -1.14 -5.10 115.64 101.72 3k4f s THR 222 Ca 0.05 -3.51 0.24 0.00 -1.18 0.00 0.00 61.69 57.29 3k4f s THR 222 Cb 0.09 -2.84 0.19 0.00 1.34 0.00 0.00 72.50 71.27 3k4f s THR 222 CO 0.55 -0.84 1.26 1.41 -0.54 0.00 0.00 174.62 176.46