#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a4o n ASP 2 N 0.00 -1.63 -0.17 7.83 -0.08 -1.26 -4.92 116.55 116.32 1a4o n ASP 2 Ca 0.00 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.27 1a4o n ASP 2 Cb 0.00 -0.81 0.08 0.00 2.34 0.00 0.00 41.12 42.72 1a4o n ASP 2 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 1a4o h LYS 3 N 0.00 0.18 -0.35 -0.67 3.64 -1.97 -1.63 116.57 115.77 1a4o h LYS 3 Ca 0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1a4o h LYS 3 Cb 0.37 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1a4o h LYS 3 CO 0.00 0.12 0.00 0.09 -2.27 0.00 0.00 179.45 177.39 1a4o n ASN 4 N -5.17 0.35 -0.06 4.20 4.13 -1.26 -1.28 115.26 116.17 1a4o n ASN 4 Ca 0.07 -1.73 -0.05 0.00 1.68 0.00 0.00 54.58 54.54 1a4o n ASN 4 Cb 0.28 -0.18 -0.10 0.00 -1.54 0.00 0.00 39.78 38.24 1a4o n ASN 4 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1a4o n GLU 5 N -0.27 1.82 0.02 3.52 2.13 -0.63 -3.66 120.64 123.58 1a4o n GLU 5 Ca 0.00 -0.01 -0.13 0.00 0.66 0.00 0.00 57.16 57.68 1a4o n GLU 5 Cb 0.09 -1.33 -0.01 0.00 0.27 0.00 0.00 31.44 30.47 1a4o n GLU 5 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 1a4o h LEU 6 N 0.00 0.66 0.64 4.31 -0.00 -0.98 -2.43 115.31 117.50 1a4o h LEU 6 Ca -0.32 -0.43 -0.03 0.00 -0.00 0.00 0.00 57.88 57.10 1a4o h LEU 6 Cb 1.70 -0.19 0.01 0.00 -0.00 0.00 0.00 40.66 42.18 1a4o h LEU 6 CO 0.02 1.19 -0.31 0.58 -0.00 0.00 0.00 178.44 179.92 1a4o h VAL 7 N 0.38 0.20 0.00 1.22 2.07 -1.41 -0.78 116.25 117.93 1a4o h VAL 7 Ca -0.04 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1a4o h VAL 7 Cb 1.34 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1a4o h VAL 7 CO 0.14 0.03 0.00 0.00 0.02 0.00 0.00 177.57 177.75 1a4o n GLN 8 N -5.37 0.04 -0.05 1.57 3.00 -1.24 -1.01 117.38 114.33 1a4o n GLN 8 Ca -0.12 0.54 -0.13 0.00 -0.01 0.00 0.00 57.00 57.28 1a4o n GLN 8 Cb 0.36 -1.65 -0.14 0.00 0.00 0.00 0.00 30.24 28.81 1a4o n GLN 8 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.06 178.23 1a4o n LYS 9 N -1.74 0.68 -0.03 -1.09 0.00 -0.92 -3.15 118.16 111.90 1a4o n LYS 9 Ca -0.00 0.19 -0.12 0.00 0.00 0.00 0.00 58.31 58.38 1a4o n LYS 9 Cb 0.01 -1.67 -0.07 0.00 0.00 0.00 0.00 35.03 33.31 1a4o n LYS 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1a4o h ALA 10 N 0.63 0.14 -0.97 3.14 0.00 0.44 0.10 119.26 122.75 1a4o h ALA 10 Ca -0.43 -0.21 0.13 0.00 0.00 0.00 0.00 54.91 54.41 1a4o h ALA 10 Cb 2.06 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 19.73 1a4o h ALA 10 CO 0.04 -0.14 0.61 0.87 0.00 0.00 0.00 179.25 180.64 1a4o h LYS 11 N -0.11 0.86 -0.22 0.00 1.57 -1.39 -1.30 116.57 115.97 1a4o h LYS 11 Ca 0.03 -0.05 -0.20 0.00 -1.87 0.00 0.00 60.65 58.55 1a4o h LYS 11 Cb 0.41 -0.19 0.01 0.00 0.08 0.00 0.00 32.23 32.53 1a4o h LYS 11 CO 0.01 0.57 -0.65 1.25 -0.57 0.00 0.00 179.45 180.06 1a4o h LEU 12 N 0.89 0.96 0.24 2.94 5.85 -1.45 -2.98 115.31 121.76 1a4o h LEU 12 Ca 0.48 -0.58 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1a4o h LEU 12 Cb 0.58 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1a4o h LEU 12 CO -0.25 1.37 -0.21 0.00 -0.34 0.00 0.00 178.44 179.01 1a4o h ALA 13 N 0.61 -0.45 -0.78 1.25 0.00 0.26 -2.19 119.26 117.96 1a4o h ALA 13 Ca -0.02 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.87 1a4o h ALA 13 Cb 1.27 0.30 -0.05 0.00 0.00 0.00 0.00 17.79 19.30 1a4o h ALA 13 CO 0.14 -0.78 0.48 1.49 0.00 0.00 0.00 179.25 180.58 1a4o h GLU 14 N -0.47 0.89 0.00 0.00 4.81 -1.37 0.45 114.58 118.88 1a4o h GLU 14 Ca -0.01 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1a4o h GLU 14 Cb 0.43 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.61 1a4o h GLU 14 CO -0.03 0.59 0.00 1.04 -0.73 0.00 0.00 179.01 179.87 1a4o n GLN 15 N -4.64 0.14 -0.00 1.92 6.02 -1.10 0.07 117.38 119.78 1a4o n GLN 15 Ca 0.10 0.52 0.08 0.00 -0.01 0.00 0.00 57.00 57.69 1a4o n GLN 15 Cb 0.13 -1.85 -0.10 0.00 1.02 0.00 0.00 30.24 29.43 1a4o n GLN 15 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1a4o n ALA 16 N -1.73 4.10 -0.99 -1.58 0.00 0.58 -4.99 120.51 115.89 1a4o n ALA 16 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1a4o n ALA 16 Cb 0.12 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 18.95 1a4o n ALA 16 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1a4o n GLU 17 N -1.45 -0.06 -2.63 0.00 0.00 0.13 -4.96 120.64 111.65 1a4o n GLU 17 Ca 0.03 0.02 -0.43 0.00 0.00 0.00 0.00 57.16 56.77 1a4o n GLU 17 Cb 0.28 -2.91 -0.00 0.00 0.00 0.00 0.00 31.44 28.80 1a4o n GLU 17 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1a4o s ARG 18 N -0.08 3.97 0.25 5.31 1.81 -0.40 -4.80 118.95 125.02 1a4o s ARG 18 Ca 0.00 -2.01 0.00 0.00 -1.72 0.00 0.00 55.73 52.00 1a4o s ARG 18 Cb 0.00 -5.45 0.31 0.00 -0.45 0.00 0.00 34.95 29.36 1a4o s ARG 18 CO 0.00 -2.18 1.67 1.88 -0.68 0.00 0.00 175.30 175.99 1a4o h TYR 19 N 7.71 0.64 -0.22 -0.53 0.05 -1.93 -1.25 116.97 121.44 1a4o h TYR 19 Ca 0.41 -0.15 0.03 0.00 0.05 0.00 0.00 58.73 59.07 1a4o h TYR 19 Cb 0.88 -0.15 -0.03 0.00 1.01 0.00 0.00 36.73 38.44 1a4o h TYR 19 CO 1.37 0.79 0.05 -0.44 -1.05 0.00 0.00 178.16 178.88 1a4o h ASP 20 N 0.49 0.03 -0.78 3.88 3.32 -1.87 0.10 116.42 121.59 1a4o h ASP 20 Ca 0.06 0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.18 1a4o h ASP 20 Cb 0.74 0.04 -0.04 0.00 0.22 0.00 0.00 39.33 40.28 1a4o h ASP 20 CO 0.06 0.05 0.51 0.44 -1.72 0.00 0.00 179.24 178.58 1a4o h ASP 21 N 0.14 0.83 -0.37 6.45 5.19 -1.92 -0.10 116.42 126.64 1a4o h ASP 21 Ca 0.10 -0.01 -0.06 0.00 -0.62 0.00 0.00 57.03 56.44 1a4o h ASP 21 Cb 0.09 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.39 1a4o h ASP 21 CO -0.12 0.58 -0.01 -0.03 -3.12 0.00 0.00 179.24 176.53 1a4o h MET 22 N 0.97 0.67 0.00 3.56 4.05 -0.36 -2.78 114.93 121.04 1a4o h MET 22 Ca 0.31 -0.22 -0.05 0.00 -0.28 0.00 0.00 59.70 59.46 1a4o h MET 22 Cb 0.03 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.76 1a4o h MET 22 CO -0.09 0.78 -0.23 0.00 0.23 0.00 0.00 176.91 177.59 1a4o h ALA 23 N 0.87 1.36 0.14 0.39 0.00 -0.14 -2.76 119.26 119.12 1a4o h ALA 23 Ca 0.10 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1a4o h ALA 23 Cb 0.48 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1a4o h ALA 23 CO 0.02 0.29 -0.07 0.00 0.00 0.00 0.00 179.25 179.50 1a4o h ALA 24 N 1.77 -0.19 0.00 0.00 0.00 -0.78 -2.58 119.26 117.48 1a4o h ALA 24 Ca -0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1a4o h ALA 24 Cb 0.50 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1a4o h ALA 24 CO 0.03 -0.43 -0.22 0.00 0.00 0.00 0.00 179.25 178.63 1a4o h MET 26 N 0.00 0.00 -0.01 0.00 2.86 -1.53 -0.80 114.93 115.45 1a4o h MET 26 Ca -0.00 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 1a4o h MET 26 Cb 0.41 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.08 1a4o h MET 26 CO 0.03 0.25 -0.32 -0.22 1.06 0.00 0.00 176.91 177.71 1a4o h LYS 27 N 0.00 0.23 -0.57 1.72 3.64 -1.06 0.32 116.57 120.84 1a4o h LYS 27 Ca -0.03 -0.23 0.09 0.00 -1.27 0.00 0.00 60.65 59.21 1a4o h LYS 27 Cb 1.25 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 33.07 1a4o h LYS 27 CO 0.03 0.95 0.19 1.03 -2.27 0.00 0.00 179.45 179.38 1a4o h SER 28 N -0.40 0.16 -0.35 4.20 0.87 -1.18 0.25 113.55 117.10 1a4o h SER 28 Ca -0.04 0.08 -0.04 0.00 -1.23 0.00 0.00 61.79 60.56 1a4o h SER 28 Cb 1.05 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 63.08 1a4o h SER 28 CO 0.06 0.10 0.06 0.58 -0.53 0.00 0.00 176.83 177.11 1a4o h VAL 29 N 0.36 1.23 0.00 2.23 2.07 -1.09 -2.81 116.25 118.23 1a4o h VAL 29 Ca 0.29 -0.82 -0.08 0.00 0.82 0.00 0.00 66.70 66.91 1a4o h VAL 29 Cb 0.36 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1a4o h VAL 29 CO -0.31 0.28 -0.36 0.00 0.02 0.00 0.00 177.57 177.19 1a4o h THR 30 N 0.41 0.90 -0.13 2.57 1.03 -0.46 -3.06 112.91 114.18 1a4o h THR 30 Ca 0.11 -1.45 0.00 0.00 -0.01 0.00 0.00 66.41 65.06 1a4o h THR 30 Cb 0.34 1.88 0.00 0.00 -1.07 0.00 0.00 68.15 69.30 1a4o h THR 30 CO 0.01 0.36 0.00 -1.84 -0.01 0.00 0.00 175.52 174.03 1a4o n GLU 31 N -3.59 1.36 0.00 0.00 0.28 0.85 -4.49 120.64 115.05 1a4o n GLU 31 Ca -0.00 -0.50 0.00 0.00 -0.16 0.00 0.00 57.16 56.50 1a4o n GLU 31 Cb 0.49 -1.16 0.00 0.00 1.43 0.00 0.00 31.44 32.20 1a4o n GLU 31 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 1a4o n GLN 32 N -0.08 0.00 -4.19 3.44 -0.06 -1.16 -5.02 117.38 110.31 1a4o n GLN 32 Ca 0.05 0.00 -0.34 0.00 -2.00 0.00 0.00 57.00 54.70 1a4o n GLN 32 Cb 0.15 0.00 -0.10 0.00 -4.06 0.00 0.00 30.24 26.23 1a4o n GLN 32 CO 0.00 0.00 0.00 0.20 -0.20 0.00 0.00 177.06 177.06 1a4o s GLY 33 N 0.00 1.86 0.00 1.69 0.00 -1.26 -5.11 107.32 104.49 1a4o s GLY 33 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 44.72 43.95 1a4o s GLY 33 CO 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 173.10 172.95 1a4o n ALA 34 N 3.11 0.00 -3.04 3.20 0.00 -1.26 -4.89 120.51 117.63 1a4o n ALA 34 Ca -0.17 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.25 1a4o n ALA 34 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1a4o n ALA 34 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1a4o n GLU 35 N 0.00 -1.50 -2.28 0.00 4.07 -1.26 -4.89 120.64 114.78 1a4o n GLU 35 Ca 0.00 1.59 -0.43 0.00 -0.06 0.00 0.00 57.16 58.26 1a4o n GLU 35 Cb 0.00 -5.70 -0.02 0.00 -0.06 0.00 0.00 31.44 25.66 1a4o n GLU 35 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1a4o s LEU 36 N -3.78 3.55 0.18 4.31 1.02 -1.26 -4.96 118.68 117.74 1a4o s LEU 36 Ca 0.04 0.88 -0.31 0.00 0.02 0.00 0.00 54.13 54.76 1a4o s LEU 36 Cb -0.01 -3.50 -0.16 0.00 0.02 0.00 0.00 46.19 42.54 1a4o s LEU 36 CO 0.76 -1.52 0.92 -0.24 0.02 0.00 0.00 176.35 176.29 1a4o n SER 37 N 9.22 0.36 -0.45 2.29 2.88 -1.26 -4.16 113.62 122.49 1a4o n SER 37 Ca 0.18 1.15 0.39 0.00 -1.33 0.00 0.00 58.87 59.25 1a4o n SER 37 Cb 0.48 -1.11 0.67 0.00 -0.75 0.00 0.00 64.21 63.50 1a4o n SER 37 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1a4o h ASN 38 N 2.32 0.22 -0.18 -3.46 4.21 -1.97 0.71 115.58 117.43 1a4o h ASN 38 Ca -0.39 0.17 -0.02 0.00 1.21 0.00 0.00 56.30 57.27 1a4o h ASN 38 Cb 1.38 0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 38.75 1a4o h ASN 38 CO 0.63 -0.28 0.02 -0.08 -1.29 0.00 0.00 177.43 176.43 1a4o h GLU 39 N 0.01 0.30 -0.62 0.81 4.81 -2.00 -1.16 114.58 116.73 1a4o h GLU 39 Ca 0.88 -0.08 -0.01 0.00 -0.13 0.00 0.00 59.36 60.01 1a4o h GLU 39 Cb 2.75 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 32.07 1a4o h GLU 39 CO -0.51 0.48 0.34 0.93 -0.73 0.00 0.00 179.01 179.52 1a4o h GLU 40 N 0.08 0.85 -0.37 1.92 5.08 -0.08 -2.45 114.58 119.62 1a4o h GLU 40 Ca 0.05 -0.09 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 1a4o h GLU 40 Cb 0.33 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1a4o h GLU 40 CO 0.00 0.63 -0.14 -0.09 -1.00 0.00 0.00 179.01 178.41 1a4o h ARG 41 N 0.86 0.67 0.00 2.33 2.43 0.09 -2.31 114.38 118.46 1a4o h ARG 41 Ca 0.22 -0.23 -0.22 0.00 -0.81 0.00 0.00 59.98 58.94 1a4o h ARG 41 Cb 0.02 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.48 1a4o h ARG 41 CO -0.04 0.79 -1.31 -0.97 -1.51 0.00 0.00 179.97 176.93 1a4o h ASN 42 N 0.61 0.00 -0.94 -3.80 -0.73 -1.18 -2.94 115.58 106.60 1a4o h ASN 42 Ca 0.10 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.27 1a4o h ASN 42 Cb 0.59 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 39.14 1a4o h ASN 42 CO 0.04 0.87 0.59 -0.07 -0.37 0.00 0.00 177.43 178.49 1a4o h LEU 43 N 0.00 1.11 0.21 0.34 4.07 -1.35 0.11 115.31 119.80 1a4o h LEU 43 Ca -0.15 -0.05 -0.01 0.00 0.08 0.00 0.00 57.88 57.75 1a4o h LEU 43 Cb 1.80 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 43.26 1a4o h LEU 43 CO 0.09 0.83 -0.10 0.25 -1.08 0.00 0.00 178.44 178.43 1a4o h LEU 44 N 1.29 -0.24 -0.46 1.67 5.85 -1.46 -2.45 115.31 119.51 1a4o h LEU 44 Ca 0.34 -0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.93 1a4o h LEU 44 Cb -0.09 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 1a4o h LEU 44 CO -0.07 0.05 0.22 0.28 -0.34 0.00 0.00 178.44 178.58 1a4o h SER 45 N -0.54 0.30 -0.13 1.25 0.02 -1.27 -2.56 113.55 110.61 1a4o h SER 45 Ca -0.03 0.03 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 1a4o h SER 45 Cb 0.40 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.92 1a4o h SER 45 CO 0.05 0.21 -0.37 1.62 -1.14 0.00 0.00 176.83 177.20 1a4o h VAL 46 N 0.43 1.37 0.56 2.27 3.04 -0.87 -1.78 116.25 121.26 1a4o h VAL 46 Ca 0.20 -1.66 -0.02 0.00 -1.01 0.00 0.00 66.70 64.21 1a4o h VAL 46 Cb 0.13 2.09 -0.01 0.00 -2.01 0.00 0.00 31.29 31.49 1a4o h VAL 46 CO -0.16 0.50 -0.44 0.00 -1.01 0.00 0.00 177.57 176.45 1a4o h ALA 47 N 0.52 -1.16 -0.02 3.17 0.00 -1.43 -0.95 119.26 119.38 1a4o h ALA 47 Ca -0.01 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1a4o h ALA 47 Cb 0.98 0.63 -0.00 0.00 0.00 0.00 0.00 17.79 19.40 1a4o h ALA 47 CO 0.08 -1.16 0.01 1.88 0.00 0.00 0.00 179.25 180.05 1a4o h TYR 48 N -0.97 0.03 0.00 0.00 -1.99 -1.58 -2.35 116.97 110.10 1a4o h TYR 48 Ca -0.07 0.00 -0.16 0.00 2.00 0.00 0.00 58.73 60.50 1a4o h TYR 48 Cb 0.81 -0.01 -0.02 0.00 2.00 0.00 0.00 36.73 39.51 1a4o h TYR 48 CO -0.17 0.02 -0.77 1.57 -0.00 0.00 0.00 178.16 178.81 1a4o h LYS 49 N 0.03 0.00 -0.42 4.88 2.10 -0.93 -0.41 116.57 121.82 1a4o h LYS 49 Ca 0.01 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.52 1a4o h LYS 49 Cb 0.01 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.33 1a4o h LYS 49 CO -0.00 0.77 -0.26 -0.91 -2.00 0.00 0.00 179.45 177.06 1a4o h ASN 50 N 0.00 0.95 0.01 7.07 2.35 -0.66 -0.31 115.58 124.99 1a4o h ASN 50 Ca -0.01 -0.42 -0.00 0.00 -0.55 0.00 0.00 56.30 55.32 1a4o h ASN 50 Cb 1.37 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 39.48 1a4o h ASN 50 CO 0.10 1.16 -0.00 0.58 -1.65 0.00 0.00 177.43 177.62 1a4o h VAL 51 N 0.74 1.34 -0.32 2.81 2.07 -1.40 -0.84 116.25 120.64 1a4o h VAL 51 Ca 0.09 -1.04 -0.05 0.00 0.82 0.00 0.00 66.70 66.51 1a4o h VAL 51 Cb 0.83 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 32.63 1a4o h VAL 51 CO 0.07 0.27 -0.01 1.62 0.02 0.00 0.00 177.57 179.54 1a4o h VAL 52 N -0.46 1.26 -0.54 2.57 3.04 -1.15 -2.99 116.25 117.98 1a4o h VAL 52 Ca -0.00 -0.98 0.10 0.00 -1.01 0.00 0.00 66.70 64.81 1a4o h VAL 52 Cb 0.45 1.27 -0.03 0.00 -2.01 0.00 0.00 31.29 30.97 1a4o h VAL 52 CO 0.00 0.32 0.37 1.23 -1.01 0.00 0.00 177.57 178.48 1a4o h GLY 53 N 0.37 0.41 0.83 3.17 0.00 -1.07 -0.45 103.07 106.34 1a4o h GLY 53 Ca 0.09 -0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 1a4o h GLY 53 CO 0.02 0.07 0.01 0.00 0.00 0.00 0.00 176.54 176.64 1a4o h ALA 54 N 1.73 0.29 -0.36 3.60 0.00 -1.00 -2.40 119.26 121.12 1a4o h ALA 54 Ca 0.25 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1a4o h ALA 54 Cb 0.61 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1a4o h ALA 54 CO -0.06 -0.01 -0.23 0.00 0.00 0.00 0.00 179.25 178.96 1a4o h ARG 55 N 0.14 0.79 -0.65 0.00 -0.00 -1.06 -2.22 114.38 111.38 1a4o h ARG 55 Ca 0.06 -0.37 0.01 0.00 -0.50 0.00 0.00 59.98 59.18 1a4o h ARG 55 Cb 0.37 -0.01 -0.03 0.00 0.00 0.00 0.00 29.97 30.30 1a4o h ARG 55 CO 0.01 1.00 0.43 0.00 0.00 0.00 0.00 179.97 181.40 1a4o h ARG 56 N 0.58 0.86 -0.09 0.04 3.08 -1.26 0.67 114.38 118.24 1a4o h ARG 56 Ca 0.07 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1a4o h ARG 56 Cb 0.79 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.64 1a4o h ARG 56 CO 0.06 0.57 0.06 1.03 -1.07 0.00 0.00 179.97 180.62 1a4o h SER 57 N 0.88 0.11 0.29 7.04 0.87 -1.38 -0.05 113.55 121.31 1a4o h SER 57 Ca 0.24 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.78 1a4o h SER 57 Cb -0.10 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 61.84 1a4o h SER 57 CO -0.05 0.08 -0.14 0.28 -0.53 0.00 0.00 176.83 176.47 1a4o h SER 58 N 0.13 -0.33 -0.52 6.23 0.02 -1.13 -1.51 113.55 116.43 1a4o h SER 58 Ca 0.03 -0.03 0.10 0.00 -0.84 0.00 0.00 61.79 61.05 1a4o h SER 58 Cb -0.01 0.09 -0.11 0.00 0.14 0.00 0.00 62.40 62.51 1a4o h SER 58 CO -0.01 -0.19 -0.32 -0.25 -1.14 0.00 0.00 176.83 174.93 1a4o h TRP 59 N -0.45 -0.87 0.05 3.45 7.01 0.45 -0.06 115.95 125.53 1a4o h TRP 59 Ca -0.04 0.07 0.03 0.00 2.11 0.00 0.00 58.89 61.05 1a4o h TRP 59 Cb 0.34 0.46 -0.05 0.00 -2.10 0.00 0.00 29.16 27.81 1a4o h TRP 59 CO -0.04 -0.37 -0.41 0.00 -2.79 0.00 0.00 178.44 174.83 1a4o h ARG 60 N -0.18 -0.58 -0.46 2.65 3.08 -0.77 0.57 114.38 118.68 1a4o h ARG 60 Ca 0.21 0.04 0.02 0.00 0.07 0.00 0.00 59.98 60.32 1a4o h ARG 60 Cb 0.54 0.13 -0.03 0.00 0.08 0.00 0.00 29.97 30.69 1a4o h ARG 60 CO -0.62 -0.38 0.28 -0.24 -1.07 0.00 0.00 179.97 177.94 1a4o h VAL 61 N -0.60 1.07 0.00 2.04 3.04 -0.48 -1.84 116.25 119.47 1a4o h VAL 61 Ca 0.04 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.53 1a4o h VAL 61 Cb 0.66 0.44 0.00 0.00 -2.01 0.00 0.00 31.29 30.38 1a4o h VAL 61 CO -0.28 0.10 0.00 1.62 -1.01 0.00 0.00 177.57 178.00 1a4o h VAL 62 N 0.57 0.00 -0.05 1.51 3.04 -0.82 -2.64 116.25 117.86 1a4o h VAL 62 Ca 0.18 -0.56 -0.19 0.00 -1.01 0.00 0.00 66.70 65.12 1a4o h VAL 62 Cb -0.01 1.51 0.01 0.00 -2.01 0.00 0.00 31.29 30.80 1a4o h VAL 62 CO -0.07 0.00 -0.73 0.28 -1.01 0.00 0.00 177.57 176.04 1a4o h SER 63 N 0.00 0.73 -0.64 3.17 0.02 -0.39 -1.29 113.55 115.15 1a4o h SER 63 Ca 0.00 -0.70 -0.01 0.00 -0.84 0.00 0.00 61.79 60.24 1a4o h SER 63 Cb 0.60 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.89 1a4o h SER 63 CO 0.00 1.33 0.38 0.77 -1.14 0.00 0.00 176.83 178.17 1a4o h SER 64 N 0.19 0.78 -0.30 3.07 4.64 -1.17 -2.95 113.55 117.80 1a4o h SER 64 Ca -0.08 -0.07 -0.12 0.00 -0.47 0.00 0.00 61.79 61.06 1a4o h SER 64 Cb 1.39 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 1a4o h SER 64 CO 0.15 0.62 -0.27 0.40 -0.87 0.00 0.00 176.83 176.85 1a4o h ILE 65 N 0.87 1.30 -0.13 0.95 2.04 -1.49 -2.97 117.51 118.07 1a4o h ILE 65 Ca 0.23 -1.43 0.04 0.00 1.00 0.00 0.00 64.86 64.70 1a4o h ILE 65 Cb -0.01 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 1a4o h ILE 65 CO -0.04 0.46 0.38 -0.08 0.00 0.00 0.00 178.15 178.87 1a4o h GLU 66 N 0.47 0.00 0.00 2.37 4.81 -1.06 -1.45 114.58 119.72 1a4o h GLU 66 Ca 0.05 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 59.14 1a4o h GLU 66 Cb 0.84 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.20 1a4o h GLU 66 CO 0.07 0.00 -0.80 0.37 -0.73 0.00 0.00 179.01 177.92 1a4o h GLN 67 N 0.00 0.00 -3.28 1.92 -0.00 -1.42 -3.45 115.11 108.88 1a4o h GLN 67 Ca 0.06 0.00 -0.74 0.00 -0.00 0.00 0.00 58.65 57.97 1a4o h GLN 67 Cb 0.81 0.00 -0.11 0.00 0.00 0.00 0.00 27.48 28.18 1a4o h GLN 67 CO -0.00 0.94 2.46 1.63 0.00 0.00 0.00 178.83 183.86 1a4o n LYS 68 N -4.50 3.79 -0.11 1.69 5.02 -0.55 -5.11 118.16 118.39 1a4o n LYS 68 Ca -0.23 -3.26 -0.21 0.00 -2.02 0.00 0.00 58.31 52.58 1a4o n LYS 68 Cb 0.59 -2.88 -0.07 0.00 -0.02 0.00 0.00 35.03 32.65 1a4o n LYS 68 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1a4o n GLU 73 N 3.54 0.47 -0.10 1.97 0.00 -1.26 -4.76 120.64 120.51 1a4o n GLU 73 Ca 0.51 0.21 -0.11 0.00 0.00 0.00 0.00 57.16 57.76 1a4o n GLU 73 Cb 0.32 -1.30 -0.04 0.00 0.00 0.00 0.00 31.44 30.42 1a4o n GLU 73 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 1a4o h LYS 74 N -0.82 0.55 -0.17 5.31 3.64 -2.01 0.70 116.57 123.78 1a4o h LYS 74 Ca -0.47 -0.20 0.05 0.00 -1.27 0.00 0.00 60.65 58.76 1a4o h LYS 74 Cb 1.37 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.15 1a4o h LYS 74 CO -0.28 0.73 0.29 -0.22 -2.27 0.00 0.00 179.45 177.70 1a4o h LYS 75 N 0.33 0.00 0.04 1.90 3.64 -1.99 0.53 116.57 121.01 1a4o h LYS 75 Ca 0.08 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.16 1a4o h LYS 75 Cb 0.52 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.30 1a4o h LYS 75 CO 0.02 0.00 -1.67 0.37 -2.27 0.00 0.00 179.45 175.90 1a4o h GLN 76 N 0.00 0.09 -0.23 1.90 4.15 -1.10 -2.82 115.11 117.10 1a4o h GLN 76 Ca 0.08 -0.15 -0.08 0.00 0.77 0.00 0.00 58.65 59.28 1a4o h GLN 76 Cb 0.66 0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.39 1a4o h GLN 76 CO -0.00 0.76 -0.19 0.37 -1.93 0.00 0.00 178.83 177.84 1a4o h GLN 77 N 0.02 0.41 -0.06 1.69 4.15 0.25 0.47 115.11 122.05 1a4o h GLN 77 Ca -0.28 -0.13 -0.18 0.00 0.77 0.00 0.00 58.65 58.83 1a4o h GLN 77 Cb 2.00 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 29.64 1a4o h GLN 77 CO 0.10 0.59 -0.73 0.00 -1.93 0.00 0.00 178.83 176.86 1a4o h MET 78 N 0.37 0.32 0.02 1.69 -0.00 -1.52 -0.46 114.93 115.35 1a4o h MET 78 Ca 0.06 -0.27 -0.21 0.00 -0.00 0.00 0.00 59.70 59.29 1a4o h MET 78 Cb 0.56 0.06 -0.01 0.00 -0.00 0.00 0.00 31.60 32.21 1a4o h MET 78 CO 0.04 0.92 -0.93 0.00 -0.00 0.00 0.00 176.91 176.94 1a4o h ALA 79 N 1.00 0.44 -0.10 -3.00 0.00 -1.16 -0.78 119.26 115.67 1a4o h ALA 79 Ca -0.03 -0.75 -0.14 0.00 0.00 0.00 0.00 54.91 53.99 1a4o h ALA 79 Cb 1.30 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1a4o h ALA 79 CO 0.12 0.92 -0.57 -0.09 0.00 0.00 0.00 179.25 179.63 1a4o h ARG 80 N 0.12 0.31 -0.26 0.00 2.43 -0.05 -1.47 114.38 115.46 1a4o h ARG 80 Ca -0.06 -0.20 -0.16 0.00 -0.81 0.00 0.00 59.98 58.75 1a4o h ARG 80 Cb 1.58 0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 31.15 1a4o h ARG 80 CO 0.14 0.79 -0.50 1.49 -1.51 0.00 0.00 179.97 180.39 1a4o h GLU 81 N 0.23 0.71 -0.14 0.20 4.81 -0.98 -2.61 114.58 116.81 1a4o h GLU 81 Ca -0.00 -0.42 -0.17 0.00 -0.13 0.00 0.00 59.36 58.63 1a4o h GLU 81 Cb 1.07 0.04 0.01 0.00 0.63 0.00 0.00 28.75 30.49 1a4o h GLU 81 CO 0.09 1.04 -0.59 -0.92 -0.73 0.00 0.00 179.01 177.91 1a4o h TYR 82 N 0.56 0.86 -0.18 0.92 3.20 -0.96 -3.22 116.97 118.15 1a4o h TYR 82 Ca 0.02 -0.37 0.04 0.00 3.14 0.00 0.00 58.73 61.57 1a4o h TYR 82 Cb 1.06 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 39.16 1a4o h TYR 82 CO 0.05 1.17 -0.08 -0.09 -1.64 0.00 0.00 178.16 177.57 1a4o h ARG 83 N 0.31 -0.06 -0.89 1.82 2.43 -1.28 -2.38 114.38 114.34 1a4o h ARG 83 Ca -0.03 0.00 0.24 0.00 -0.81 0.00 0.00 59.98 59.38 1a4o h ARG 83 Cb 1.22 0.01 -0.15 0.00 -0.42 0.00 0.00 29.97 30.64 1a4o h ARG 83 CO 0.12 -0.04 0.23 1.49 -1.51 0.00 0.00 179.97 180.26 1a4o h GLU 84 N -0.06 0.18 -0.08 0.20 4.81 -1.51 0.30 114.58 118.42 1a4o h GLU 84 Ca 0.10 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.23 1a4o h GLU 84 Cb 0.20 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1a4o h GLU 84 CO -0.22 0.12 -0.29 -0.22 -0.73 0.00 0.00 179.01 177.67 1a4o h LYS 85 N 0.19 0.33 0.00 1.92 3.64 -1.49 -1.82 116.57 119.34 1a4o h LYS 85 Ca 0.56 -0.25 -0.03 0.00 -1.27 0.00 0.00 60.65 59.66 1a4o h LYS 85 Cb 1.15 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 33.02 1a4o h LYS 85 CO -0.68 0.89 -0.14 0.82 -2.27 0.00 0.00 179.45 178.07 1a4o h ILE 86 N -0.15 0.69 0.03 2.00 2.04 -0.84 -1.65 117.51 119.63 1a4o h ILE 86 Ca -0.01 -0.57 -0.06 0.00 1.00 0.00 0.00 64.86 65.22 1a4o h ILE 86 Cb 0.93 1.35 0.01 0.00 -0.74 0.00 0.00 36.82 38.37 1a4o h ILE 86 CO 0.06 0.14 -0.25 -0.08 0.00 0.00 0.00 178.15 178.02 1a4o h GLU 87 N 0.00 0.11 -0.43 2.37 4.81 -0.44 -2.73 114.58 118.27 1a4o h GLU 87 Ca -0.00 -0.16 0.08 0.00 -0.13 0.00 0.00 59.36 59.15 1a4o h GLU 87 Cb 0.34 0.06 -0.07 0.00 0.63 0.00 0.00 28.75 29.70 1a4o h GLU 87 CO 0.02 1.02 -0.03 1.15 -0.73 0.00 0.00 179.01 180.44 1a4o h THR 88 N -0.72 0.64 -0.56 0.32 2.02 -1.08 0.63 112.91 114.16 1a4o h THR 88 Ca -0.04 -0.03 0.01 0.00 0.77 0.00 0.00 66.41 67.12 1a4o h THR 88 Cb 1.14 0.56 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 1a4o h THR 88 CO 0.05 0.01 0.37 -0.33 0.37 0.00 0.00 175.52 175.99 1a4o h GLU 89 N 0.08 0.73 -0.48 6.66 5.08 -1.41 -1.23 114.58 124.01 1a4o h GLU 89 Ca 0.21 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.43 1a4o h GLU 89 Cb 0.32 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1a4o h GLU 89 CO -0.38 0.48 -0.07 1.25 -1.00 0.00 0.00 179.01 179.28 1a4o h LEU 90 N 0.75 0.89 -0.55 1.33 5.85 -1.06 -2.70 115.31 119.82 1a4o h LEU 90 Ca 0.21 -0.34 0.05 0.00 0.84 0.00 0.00 57.88 58.63 1a4o h LEU 90 Cb -0.08 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 40.67 1a4o h LEU 90 CO -0.05 1.02 0.29 -0.09 -0.34 0.00 0.00 178.44 179.28 1a4o h ARG 91 N 0.74 0.55 0.00 1.25 9.65 0.61 -0.45 114.38 126.72 1a4o h ARG 91 Ca 0.13 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.95 1a4o h ARG 91 Cb 0.61 -0.12 -0.00 0.00 -1.39 0.00 0.00 29.97 29.07 1a4o h ARG 91 CO 0.04 0.36 -0.09 -0.44 2.80 0.00 0.00 179.97 182.64 1a4o h ASP 92 N 0.56 0.00 0.35 -3.80 3.32 -1.11 -2.28 116.42 113.46 1a4o h ASP 92 Ca 0.24 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.27 1a4o h ASP 92 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1a4o h ASP 92 CO -0.16 0.09 -0.17 0.40 -1.72 0.00 0.00 179.24 177.69 1a4o h ILE 93 N 0.00 0.00 -0.34 0.35 1.08 -0.77 -2.82 117.51 115.00 1a4o h ILE 93 Ca -0.00 -0.64 0.07 0.00 -0.39 0.00 0.00 64.86 63.90 1a4o h ILE 93 Cb 0.44 0.00 -0.08 0.00 -3.07 0.00 0.00 36.82 34.11 1a4o h ILE 93 CO 0.01 0.00 -0.28 0.00 -0.69 0.00 0.00 178.15 177.19 1a4o h ASN 95 N -0.24 0.70 0.09 0.00 2.35 -1.56 0.39 115.58 117.31 1a4o h ASN 95 Ca 0.16 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1a4o h ASN 95 Cb 0.50 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.73 1a4o h ASN 95 CO -0.48 0.45 -0.04 -0.78 -1.65 0.00 0.00 177.43 174.93 1a4o h ASP 96 N 0.79 -0.10 0.17 5.81 3.58 -0.79 -2.09 116.42 123.79 1a4o h ASP 96 Ca 0.33 -0.06 -0.25 0.00 0.42 0.00 0.00 57.03 57.47 1a4o h ASP 96 Cb 0.27 0.03 0.01 0.00 1.72 0.00 0.00 39.33 41.35 1a4o h ASP 96 CO -0.11 -0.00 -0.99 1.62 -2.88 0.00 0.00 179.24 176.87 1a4o h VAL 97 N -0.19 1.34 -0.67 2.25 3.04 -0.66 -3.17 116.25 118.19 1a4o h VAL 97 Ca -0.01 -2.34 0.11 0.00 -1.01 0.00 0.00 66.70 63.44 1a4o h VAL 97 Cb 0.16 2.40 -0.04 0.00 -2.01 0.00 0.00 31.29 31.79 1a4o h VAL 97 CO 0.02 0.71 0.45 0.25 -1.01 0.00 0.00 177.57 177.99 1a4o h LEU 98 N 0.32 0.41 0.80 3.16 5.85 -0.24 -1.08 115.31 124.52 1a4o h LEU 98 Ca -0.10 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.59 1a4o h LEU 98 Cb 1.64 -0.07 0.01 0.00 0.37 0.00 0.00 40.66 42.60 1a4o h LEU 98 CO 0.18 0.24 -0.38 -1.28 -0.34 0.00 0.00 178.44 176.86 1a4o h SER 99 N 0.46 -0.91 -0.93 1.25 0.87 -1.35 -1.64 113.55 111.31 1a4o h SER 99 Ca 0.31 0.03 0.09 0.00 -1.23 0.00 0.00 61.79 61.00 1a4o h SER 99 Cb 0.61 0.23 -0.07 0.00 -0.44 0.00 0.00 62.40 62.74 1a4o h SER 99 CO -0.10 -0.62 0.60 -0.07 -0.53 0.00 0.00 176.83 176.11 1a4o h LEU 100 N -1.13 0.88 0.03 2.23 -0.00 -1.44 0.88 115.31 116.76 1a4o h LEU 100 Ca -0.11 0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 57.79 1a4o h LEU 100 Cb 0.82 -0.16 0.00 0.00 -0.00 0.00 0.00 40.66 41.32 1a4o h LEU 100 CO 0.18 0.52 -0.02 -0.07 -0.00 0.00 0.00 178.44 179.05 1a4o h LEU 101 N 0.97 -0.05 -0.33 1.67 4.07 -1.20 0.55 115.31 121.00 1a4o h LEU 101 Ca 0.43 0.00 0.04 0.00 0.08 0.00 0.00 57.88 58.42 1a4o h LEU 101 Cb 0.35 0.01 -0.03 0.00 1.08 0.00 0.00 40.66 42.07 1a4o h LEU 101 CO -0.19 -0.03 0.12 -0.33 -1.08 0.00 0.00 178.44 176.94 1a4o h GLU 102 N -0.05 0.26 -0.22 1.13 5.08 -0.99 0.23 114.58 120.02 1a4o h GLU 102 Ca -0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1a4o h GLU 102 Cb 0.04 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1a4o h GLU 102 CO 0.01 0.17 0.00 1.63 -1.00 0.00 0.00 179.01 179.82 1a4o n LYS 103 N -5.01 1.74 0.02 2.33 4.01 0.30 -4.47 118.16 117.09 1a4o n LYS 103 Ca 0.00 -1.13 0.00 0.00 -0.51 0.00 0.00 58.31 56.68 1a4o n LYS 103 Cb 0.11 -1.35 0.00 0.00 -0.51 0.00 0.00 35.03 33.28 1a4o n LYS 103 CO 0.00 0.00 0.00 1.19 -1.11 0.00 0.00 177.40 177.48 1a4o n PHE 104 N 0.37 -1.89 0.01 2.13 3.01 -0.32 -4.94 117.46 115.82 1a4o n PHE 104 Ca 0.15 0.15 -0.00 0.00 1.01 0.00 0.00 57.45 58.75 1a4o n PHE 104 Cb 0.31 0.78 -0.00 0.00 -0.01 0.00 0.00 39.48 40.56 1a4o n PHE 104 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 1a4o h LEU 105 N 0.00 -0.02 -1.39 4.37 4.07 0.17 -3.33 115.31 119.18 1a4o h LEU 105 Ca 0.00 0.00 0.19 0.00 0.08 0.00 0.00 57.88 58.15 1a4o h LEU 105 Cb 0.00 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 41.67 1a4o h LEU 105 CO 0.00 0.00 0.59 0.16 -1.08 0.00 0.00 178.44 178.12 1a4o h ILE 106 N -0.05 0.71 -0.26 1.22 3.07 -0.87 0.16 117.51 121.51 1a4o h ILE 106 Ca -0.00 -0.18 -0.14 0.00 1.55 0.00 0.00 64.86 66.09 1a4o h ILE 106 Cb 0.02 0.15 -0.08 0.00 -0.27 0.00 0.00 36.82 36.64 1a4o h ILE 106 CO 0.00 0.09 0.18 -0.81 -1.05 0.00 0.00 178.15 176.57 1a4o n PRO 107 N -4.56 1.35 -2.85 0.16 -0.04 -1.26 -4.21 135.00 123.59 1a4o n PRO 107 Ca 0.20 -0.79 -0.10 0.00 -0.04 0.00 0.00 63.50 62.76 1a4o n PRO 107 Cb 0.63 -1.31 0.02 0.00 -0.04 0.00 0.00 33.50 32.80 1a4o n PRO 107 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1a4o n ASN 108 N 0.28 -2.52 -0.53 3.54 2.85 0.57 -4.99 115.26 114.46 1a4o n ASN 108 Ca 0.16 -3.08 0.00 0.00 -0.11 0.00 0.00 54.58 51.55 1a4o n ASN 108 Cb 0.73 1.36 0.00 0.00 1.24 0.00 0.00 39.78 43.12 1a4o n ASN 108 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1a4o n ALA 109 N 2.02 0.00 -0.50 5.20 0.00 -1.26 -4.39 120.51 121.59 1a4o n ALA 109 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1a4o n ALA 109 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 1a4o n ALA 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a4o n ALA 112 N -3.00 0.71 0.04 0.00 0.00 -1.26 -5.00 120.51 112.00 1a4o n ALA 112 Ca 0.00 -0.09 -0.11 0.00 0.00 0.00 0.00 53.44 53.24 1a4o n ALA 112 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 1a4o n ALA 112 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1a4o h GLU 113 N 0.00 0.47 -1.09 0.00 4.11 -2.00 -3.23 114.58 112.83 1a4o h GLU 113 Ca 0.00 -0.38 0.31 0.00 0.07 0.00 0.00 59.36 59.37 1a4o h GLU 113 Cb 0.00 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.28 1a4o h GLU 113 CO 0.00 1.01 0.78 0.66 0.07 0.00 0.00 179.01 181.53 1a4o h SER 114 N 0.32 0.05 0.70 3.06 4.64 -1.98 -2.20 113.55 118.15 1a4o h SER 114 Ca -0.03 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.26 1a4o h SER 114 Cb 1.31 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.40 1a4o h SER 114 CO 0.13 0.01 -0.34 0.11 -0.87 0.00 0.00 176.83 175.87 1a4o h LYS 115 N 0.04 -0.91 -0.93 4.77 1.57 -1.92 -1.66 116.57 117.53 1a4o h LYS 115 Ca 0.53 0.06 0.07 0.00 -1.87 0.00 0.00 60.65 59.44 1a4o h LYS 115 Cb 2.04 0.21 -0.06 0.00 0.08 0.00 0.00 32.23 34.49 1a4o h LYS 115 CO -0.04 -0.60 0.60 -0.24 -0.57 0.00 0.00 179.45 178.61 1a4o h VAL 116 N -1.22 1.06 0.70 0.50 3.04 -1.61 0.03 116.25 118.74 1a4o h VAL 116 Ca -0.10 -0.36 -0.03 0.00 -1.01 0.00 0.00 66.70 65.20 1a4o h VAL 116 Cb 0.74 -0.09 0.01 0.00 -2.01 0.00 0.00 31.29 29.94 1a4o h VAL 116 CO 0.16 0.19 -0.35 0.15 -1.01 0.00 0.00 177.57 176.71 1a4o h PHE 117 N 1.05 -0.92 -0.58 3.17 3.04 -1.47 -2.94 116.94 118.30 1a4o h PHE 117 Ca 0.41 -0.02 0.08 0.00 3.98 0.00 0.00 57.97 62.42 1a4o h PHE 117 Cb 0.22 0.31 -0.07 0.00 2.56 0.00 0.00 35.95 38.97 1a4o h PHE 117 CO -0.00 -0.56 0.22 1.88 -2.02 0.00 0.00 178.31 177.83 1a4o h TYR 118 N -0.96 0.39 0.00 0.41 0.05 -0.86 -1.38 116.97 114.62 1a4o h TYR 118 Ca -0.10 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.71 1a4o h TYR 118 Cb 0.74 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 38.39 1a4o h TYR 118 CO 0.04 0.11 0.00 -0.07 -1.05 0.00 0.00 178.16 177.20 1a4o h LEU 119 N 0.41 0.00 0.22 3.88 4.07 -1.07 -0.46 115.31 122.36 1a4o h LEU 119 Ca 0.29 0.00 -0.32 0.00 0.08 0.00 0.00 57.88 57.92 1a4o h LEU 119 Cb 0.33 0.00 0.04 0.00 1.08 0.00 0.00 40.66 42.10 1a4o h LEU 119 CO -0.28 0.00 -1.40 0.50 -1.08 0.00 0.00 178.44 176.18 1a4o h LYS 120 N 0.00 0.56 -0.69 1.13 3.64 -1.07 -2.63 116.57 117.51 1a4o h LYS 120 Ca 0.00 -0.90 -0.01 0.00 -1.27 0.00 0.00 60.65 58.47 1a4o h LYS 120 Cb 0.27 0.33 -0.03 0.00 -0.41 0.00 0.00 32.23 32.38 1a4o h LYS 120 CO 0.00 1.43 0.38 1.98 -2.27 0.00 0.00 179.45 180.97 1a4o h MET 121 N 0.16 0.95 0.00 1.90 4.05 -0.81 1.14 114.93 122.33 1a4o h MET 121 Ca -0.24 -0.11 -0.02 0.00 -0.28 0.00 0.00 59.70 59.05 1a4o h MET 121 Cb 2.09 -0.19 -0.00 0.00 -0.80 0.00 0.00 31.60 32.70 1a4o h MET 121 CO 0.26 0.71 -0.11 -0.22 0.23 0.00 0.00 176.91 177.79 1a4o h LYS 122 N 0.94 0.00 0.17 0.39 3.64 -1.19 -1.51 116.57 119.01 1a4o h LYS 122 Ca 0.24 0.00 -0.33 0.00 -1.27 0.00 0.00 60.65 59.29 1a4o h LYS 122 Cb 0.03 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1a4o h LYS 122 CO -0.04 0.11 -1.66 0.78 -2.27 0.00 0.00 179.45 176.37 1a4o h GLY 123 N 0.86 0.40 0.86 5.01 0.00 -0.33 -2.96 103.07 106.92 1a4o h GLY 123 Ca -0.00 -1.03 -0.00 0.00 0.00 0.00 0.00 47.33 46.30 1a4o h GLY 123 CO 0.01 0.90 -0.01 -0.55 0.00 0.00 0.00 176.54 176.89 1a4o h ASP 124 N 0.10 -0.03 0.46 0.19 3.32 0.16 -2.12 116.42 118.50 1a4o h ASP 124 Ca -0.30 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 56.58 1a4o h ASP 124 Cb 2.08 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 41.63 1a4o h ASP 124 CO 0.18 0.11 -0.15 1.88 -1.72 0.00 0.00 179.24 179.54 1a4o h TYR 125 N -0.18 0.00 0.00 4.55 0.05 -1.43 -1.12 116.97 118.85 1a4o h TYR 125 Ca -0.00 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.66 1a4o h TYR 125 Cb 0.16 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.89 1a4o h TYR 125 CO -0.03 0.15 -0.60 1.88 -1.05 0.00 0.00 178.16 178.52 1a4o h TYR 126 N 0.00 0.00 -0.24 4.88 0.05 -1.45 -2.73 116.97 117.47 1a4o h TYR 126 Ca -0.00 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.66 1a4o h TYR 126 Cb 0.42 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.16 1a4o h TYR 126 CO 0.00 0.52 -0.29 -0.09 -1.05 0.00 0.00 178.16 177.25 1a4o h ARG 127 N 0.00 0.62 -0.35 4.88 2.43 -0.54 -0.41 114.38 121.00 1a4o h ARG 127 Ca -0.02 -0.35 -0.03 0.00 -0.81 0.00 0.00 59.98 58.77 1a4o h ARG 127 Cb 1.41 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.97 1a4o h ARG 127 CO 0.07 0.96 0.11 1.88 -1.51 0.00 0.00 179.97 181.48 1a4o h TYR 128 N 0.33 0.57 0.00 2.20 0.05 -1.33 -2.12 116.97 116.67 1a4o h TYR 128 Ca 0.03 -0.06 0.00 0.00 0.05 0.00 0.00 58.73 58.76 1a4o h TYR 128 Cb 0.87 -0.16 0.00 0.00 1.01 0.00 0.00 36.73 38.44 1a4o h TYR 128 CO 0.08 0.55 0.00 1.25 -1.05 0.00 0.00 178.16 178.99 1a4o h LEU 129 N 0.42 0.00 0.00 3.88 5.85 -1.43 -1.79 115.31 122.23 1a4o h LEU 129 Ca 0.11 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1a4o h LEU 129 Cb 0.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.28 1a4o h LEU 129 CO -0.00 0.00 -0.86 0.00 -0.34 0.00 0.00 178.44 177.24 1a4o n ALA 130 N -1.82 3.19 0.09 1.25 0.00 -0.17 -3.03 120.51 120.03 1a4o n ALA 130 Ca 0.01 -0.34 -0.23 0.00 0.00 0.00 0.00 53.44 52.88 1a4o n ALA 130 Cb 0.20 -1.06 -0.15 0.00 0.00 0.00 0.00 19.45 18.44 1a4o n ALA 130 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1a4o h GLU 131 N 0.00 0.42 0.00 0.00 5.08 -0.81 -3.36 114.58 115.92 1a4o h GLU 131 Ca 0.00 -0.73 0.00 0.00 -1.00 0.00 0.00 59.36 57.63 1a4o h GLU 131 Cb 0.74 0.27 0.00 0.00 0.50 0.00 0.00 28.75 30.26 1a4o h GLU 131 CO 0.00 1.35 0.00 0.28 -1.00 0.00 0.00 179.01 179.64 1a4o h VAL 132 N -0.01 0.00 -3.01 3.13 2.07 -1.61 -3.47 116.25 113.35 1a4o h VAL 132 Ca -0.27 -0.56 -0.24 0.00 0.82 0.00 0.00 66.70 66.45 1a4o h VAL 132 Cb 2.01 1.51 0.10 0.00 -1.52 0.00 0.00 31.29 33.38 1a4o h VAL 132 CO 0.20 0.00 0.23 0.00 0.02 0.00 0.00 177.57 178.02 1a4o n ALA 133 N -1.91 -0.91 0.14 1.67 0.00 -1.17 -5.07 120.51 113.27 1a4o n ALA 133 Ca 0.04 -0.97 0.00 0.00 0.00 0.00 0.00 53.44 52.51 1a4o n ALA 133 Cb 0.39 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.79 1a4o n ALA 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a4o n ALA 134 N -3.51 2.39 -1.00 0.00 0.00 -1.26 -4.89 120.51 112.24 1a4o n ALA 134 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1a4o n ALA 134 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 1a4o n ALA 134 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1a4o n GLY 135 N 0.89 0.76 0.00 0.00 0.00 -1.26 -4.59 105.19 100.99 1a4o n GLY 135 Ca 0.00 -1.35 0.09 0.00 0.00 0.00 0.00 46.02 44.76 1a4o n GLY 135 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1a4o n ASP 136 N 0.00 0.00 -0.02 1.61 -0.08 -1.26 -1.31 116.55 115.49 1a4o n ASP 136 Ca 0.00 -0.53 -0.12 0.00 -1.51 0.00 0.00 54.79 52.63 1a4o n ASP 136 Cb 0.00 -0.02 -0.06 0.00 2.34 0.00 0.00 41.12 43.38 1a4o n ASP 136 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 1a4o h ASP 137 N 0.00 0.14 -0.37 1.67 5.19 -2.00 -3.10 116.42 117.96 1a4o h ASP 137 Ca 0.00 -0.21 0.04 0.00 -0.62 0.00 0.00 57.03 56.24 1a4o h ASP 137 Cb 0.01 -0.04 -0.07 0.00 0.18 0.00 0.00 39.33 39.42 1a4o h ASP 137 CO 0.00 0.32 -0.43 0.50 -3.12 0.00 0.00 179.24 176.51 1a4o h LYS 138 N -0.04 -0.25 -0.46 3.56 3.64 -1.45 -1.96 116.57 119.61 1a4o h LYS 138 Ca 0.03 0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.52 1a4o h LYS 138 Cb 0.23 0.06 -0.10 0.00 -0.41 0.00 0.00 32.23 32.00 1a4o h LYS 138 CO -0.00 -0.17 -0.27 0.87 -2.27 0.00 0.00 179.45 177.61 1a4o h LYS 139 N -0.26 -0.17 -0.98 1.90 1.79 -1.69 0.09 116.57 117.25 1a4o h LYS 139 Ca 0.06 0.01 0.21 0.00 -2.18 0.00 0.00 60.65 58.75 1a4o h LYS 139 Cb 0.43 0.04 -0.11 0.00 -1.58 0.00 0.00 32.23 31.01 1a4o h LYS 139 CO -0.49 -0.11 0.58 0.78 -1.08 0.00 0.00 179.45 179.13 1a4o h GLY 140 N -0.18 1.78 0.89 3.86 0.00 -1.31 -2.27 103.07 105.85 1a4o h GLY 140 Ca 0.21 -0.32 -0.21 0.00 0.00 0.00 0.00 47.33 47.00 1a4o h GLY 140 CO -0.56 -0.14 -0.87 -2.22 0.00 0.00 0.00 176.54 172.75 1a4o h ILE 141 N 0.67 1.41 0.00 2.60 2.04 -0.54 -2.90 117.51 120.79 1a4o h ILE 141 Ca 0.59 -2.34 0.00 0.00 1.00 0.00 0.00 64.86 64.11 1a4o h ILE 141 Cb 1.00 2.82 0.00 0.00 -0.74 0.00 0.00 36.82 39.90 1a4o h ILE 141 CO -0.42 0.69 0.00 0.55 0.00 0.00 0.00 178.15 178.96 1a4o n VAL 142 N -4.06 1.07 -0.03 1.67 3.14 -0.09 -1.86 118.33 118.17 1a4o n VAL 142 Ca -0.13 0.42 -0.19 0.00 -2.96 0.00 0.00 64.34 61.48 1a4o n VAL 142 Cb 0.82 -1.35 -0.14 0.00 -1.06 0.00 0.00 33.84 32.12 1a4o n VAL 142 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1a4o n ASP 143 N -2.03 1.89 -0.26 6.55 2.03 -0.91 -3.77 116.55 120.06 1a4o n ASP 143 Ca 0.01 0.13 -0.02 0.00 0.52 0.00 0.00 54.79 55.43 1a4o n ASP 143 Cb 0.13 -0.60 0.10 0.00 -0.72 0.00 0.00 41.12 40.03 1a4o n ASP 143 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 1a4o h GLN 144 N 0.04 0.85 -0.29 -0.67 1.08 -1.15 -2.61 115.11 112.36 1a4o h GLN 144 Ca -0.46 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 56.70 1a4o h GLN 144 Cb 2.01 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 29.23 1a4o h GLN 144 CO 0.04 0.56 0.19 1.03 -0.95 0.00 0.00 178.83 179.70 1a4o h SER 145 N 0.87 0.34 0.29 1.46 0.87 -1.55 -3.19 113.55 112.64 1a4o h SER 145 Ca 0.31 -0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.84 1a4o h SER 145 Cb 0.08 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 1a4o h SER 145 CO -0.13 0.26 -0.20 -0.61 -0.53 0.00 0.00 176.83 175.62 1a4o h GLN 146 N 0.39 -0.46 0.00 2.24 4.15 -1.57 -1.47 115.11 118.39 1a4o h GLN 146 Ca 0.11 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.56 1a4o h GLN 146 Cb -0.03 0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.76 1a4o h GLN 146 CO -0.02 -0.31 0.00 0.00 -1.93 0.00 0.00 178.83 176.57 1a4o n GLN 147 N -5.32 0.07 -0.10 1.69 10.64 -1.03 0.14 117.38 123.47 1a4o n GLN 147 Ca -0.09 0.11 -0.18 0.00 -1.83 0.00 0.00 57.00 55.00 1a4o n GLN 147 Cb 0.23 -1.50 -0.08 0.00 -0.86 0.00 0.00 30.24 28.03 1a4o n GLN 147 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1a4o n ALA 148 N -1.12 1.65 0.31 2.61 0.00 -1.01 -3.74 120.51 119.21 1a4o n ALA 148 Ca 0.02 -0.81 -0.17 0.00 0.00 0.00 0.00 53.44 52.48 1a4o n ALA 148 Cb 0.02 0.17 -0.09 0.00 0.00 0.00 0.00 19.45 19.55 1a4o n ALA 148 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1a4o h TYR 149 N -0.43 -0.68 0.00 0.00 0.05 -0.19 -0.72 116.97 115.01 1a4o h TYR 149 Ca -0.48 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.29 1a4o h TYR 149 Cb 1.53 0.22 0.00 0.00 1.01 0.00 0.00 36.73 39.50 1a4o h TYR 149 CO -0.03 -0.42 0.00 0.94 -1.05 0.00 0.00 178.16 177.60 1a4o n GLN 150 N -5.40 0.30 -0.07 4.88 7.27 0.37 0.20 117.38 124.93 1a4o n GLN 150 Ca -0.12 0.00 -0.11 0.00 0.07 0.00 0.00 57.00 56.83 1a4o n GLN 150 Cb 0.30 -1.34 -0.06 0.00 2.41 0.00 0.00 30.24 31.55 1a4o n GLN 150 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 1a4o n GLU 151 N -0.84 0.35 -0.12 3.69 2.13 -0.81 -3.69 120.64 121.35 1a4o n GLU 151 Ca 0.05 0.10 -0.07 0.00 0.66 0.00 0.00 57.16 57.90 1a4o n GLU 151 Cb 0.02 -1.22 0.10 0.00 0.27 0.00 0.00 31.44 30.61 1a4o n GLU 151 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1a4o h ALA 152 N -0.13 0.95 0.18 4.31 0.00 -0.66 -2.26 119.26 121.64 1a4o h ALA 152 Ca -0.33 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.27 1a4o h ALA 152 Cb 1.45 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 1a4o h ALA 152 CO -0.09 0.62 -0.40 0.35 0.00 0.00 0.00 179.25 179.72 1a4o h PHE 153 N 0.76 -1.11 -0.89 0.00 3.57 -0.45 -0.04 116.94 118.78 1a4o h PHE 153 Ca 0.13 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.66 1a4o h PHE 153 Cb 0.60 0.46 -0.05 0.00 2.79 0.00 0.00 35.95 39.76 1a4o h PHE 153 CO 0.03 -0.51 0.59 0.93 -2.23 0.00 0.00 178.31 177.12 1a4o h GLU 154 N -0.68 1.15 0.00 1.11 5.08 -1.60 -0.94 114.58 118.71 1a4o h GLU 154 Ca 0.01 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1a4o h GLU 154 Cb 0.68 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1a4o h GLU 154 CO -0.19 0.76 0.00 0.82 -1.00 0.00 0.00 179.01 179.40 1a4o h ILE 155 N 1.19 0.00 0.15 3.13 2.04 -1.13 -3.15 117.51 119.74 1a4o h ILE 155 Ca 0.33 -0.37 0.02 0.00 1.00 0.00 0.00 64.86 65.84 1a4o h ILE 155 Cb -0.11 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 1a4o h ILE 155 CO -0.08 0.00 -0.41 0.28 0.00 0.00 0.00 178.15 177.94 1a4o h SER 156 N 0.00 -1.18 -0.37 1.72 0.02 0.45 -3.17 113.55 111.01 1a4o h SER 156 Ca 0.00 0.13 -0.18 0.00 -0.84 0.00 0.00 61.79 60.90 1a4o h SER 156 Cb 0.41 0.44 -0.02 0.00 0.14 0.00 0.00 62.40 63.37 1a4o h SER 156 CO 0.00 -0.49 0.54 -0.75 -1.14 0.00 0.00 176.83 174.99 1a4o s LYS 157 N -5.93 1.94 0.00 3.45 2.20 -1.19 -3.30 119.74 116.91 1a4o s LYS 157 Ca -0.16 -0.56 0.00 0.00 -0.36 0.00 0.00 55.97 54.89 1a4o s LYS 157 Cb 0.07 -5.07 0.00 0.00 -1.51 0.00 0.00 37.83 31.33 1a4o s LYS 157 CO 0.63 -4.46 0.00 1.17 -0.36 0.00 0.00 175.35 172.33 1a4o n LYS 158 N 8.41 0.00 -0.32 4.03 4.81 -1.20 -4.95 118.16 128.94 1a4o n LYS 158 Ca 0.43 0.00 0.10 0.00 -0.87 0.00 0.00 58.31 57.98 1a4o n LYS 158 Cb 0.46 0.00 0.28 0.00 0.02 0.00 0.00 35.03 35.80 1a4o n LYS 158 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1a4o n GLU 159 N 0.00 2.49 0.00 1.64 2.13 -1.25 -5.21 120.64 120.43 1a4o n GLU 159 Ca 0.00 -2.31 0.00 0.00 0.66 0.00 0.00 57.16 55.51 1a4o n GLU 159 Cb 0.00 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.21 1a4o n GLU 159 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 1a4o n MET 160 N 1.39 1.42 0.00 5.31 2.81 -1.21 -5.09 117.12 121.75 1a4o n MET 160 Ca 0.21 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.10 1a4o n MET 160 Cb 0.54 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.05 1a4o n MET 160 CO 0.00 0.00 0.00 1.51 1.51 0.00 0.00 175.97 178.99 1a4o n ILE 166 N 0.00 0.00 0.02 2.02 3.06 -1.26 -4.99 119.36 118.21 1a4o n ILE 166 Ca 0.00 0.00 -0.04 0.00 -2.50 0.00 0.00 62.75 60.21 1a4o n ILE 166 Cb 0.00 0.00 -0.03 0.00 0.54 0.00 0.00 39.64 40.15 1a4o n ILE 166 CO 0.00 0.00 0.00 -0.09 -2.50 0.00 0.00 176.55 173.96 1a4o h ARG 167 N 0.00 -0.15 0.00 9.51 2.43 -1.96 0.62 114.38 124.83 1a4o h ARG 167 Ca 0.00 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1a4o h ARG 167 Cb 0.00 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1a4o h ARG 167 CO 0.00 0.02 -0.03 1.25 -1.51 0.00 0.00 179.97 179.70 1a4o h LEU 168 N -1.02 0.00 -0.13 3.80 5.85 -1.98 0.30 115.31 122.12 1a4o h LEU 168 Ca -0.02 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.61 1a4o h LEU 168 Cb 0.24 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1a4o h LEU 168 CO 0.03 0.03 -0.43 1.23 -0.34 0.00 0.00 178.44 178.95 1a4o h GLY 169 N 0.31 0.00 0.41 3.75 0.00 -1.96 -2.89 103.07 102.69 1a4o h GLY 169 Ca -0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 1a4o h GLY 169 CO 0.00 0.00 -0.38 -2.00 0.00 0.00 0.00 176.54 174.17 1a4o h LEU 170 N 0.00 0.25 -0.50 3.11 5.85 0.19 -3.16 115.31 121.05 1a4o h LEU 170 Ca -0.00 -0.90 0.10 0.00 0.84 0.00 0.00 57.88 57.91 1a4o h LEU 170 Cb 1.28 -0.08 -0.09 0.00 0.37 0.00 0.00 40.66 42.14 1a4o h LEU 170 CO 0.06 1.13 -0.08 0.00 -0.34 0.00 0.00 178.44 179.21 1a4o h ALA 171 N 0.13 0.38 0.11 1.25 0.00 -0.81 0.28 119.26 120.60 1a4o h ALA 171 Ca -0.06 0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1a4o h ALA 171 Cb 1.23 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 19.32 1a4o h ALA 171 CO 0.07 -0.43 -0.42 1.25 0.00 0.00 0.00 179.25 179.72 1a4o h LEU 172 N 0.04 -1.27 0.70 0.00 5.85 -1.61 0.68 115.31 119.70 1a4o h LEU 172 Ca 0.24 0.13 -0.03 0.00 0.84 0.00 0.00 57.88 59.07 1a4o h LEU 172 Cb 0.38 0.47 -0.01 0.00 0.37 0.00 0.00 40.66 41.86 1a4o h LEU 172 CO -0.48 -0.45 -0.49 0.78 -0.34 0.00 0.00 178.44 177.46 1a4o h ASN 173 N -0.62 -1.27 -1.01 1.25 2.35 -1.38 -0.13 115.58 114.77 1a4o h ASN 173 Ca -0.01 0.08 0.23 0.00 -0.55 0.00 0.00 56.30 56.05 1a4o h ASN 173 Cb 0.62 0.39 -0.12 0.00 0.05 0.00 0.00 38.32 39.25 1a4o h ASN 173 CO -0.22 -0.72 0.61 0.15 -1.65 0.00 0.00 177.43 175.60 1a4o h PHE 174 N -1.13 0.99 -0.29 1.19 3.04 -0.44 0.47 116.94 120.77 1a4o h PHE 174 Ca -0.09 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 61.86 1a4o h PHE 174 Cb 0.93 -0.29 -0.01 0.00 2.56 0.00 0.00 35.95 39.13 1a4o h PHE 174 CO -0.15 0.11 0.06 1.03 -2.02 0.00 0.00 178.31 177.34 1a4o h SER 175 N 0.61 0.46 0.55 0.41 0.87 -0.58 -2.63 113.55 113.24 1a4o h SER 175 Ca 0.62 -0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.93 1a4o h SER 175 Cb 1.16 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 1a4o h SER 175 CO -0.43 0.59 0.00 0.55 -0.53 0.00 0.00 176.83 177.01 1a4o n VAL 176 N -4.65 0.49 0.05 2.23 3.14 0.12 -1.47 118.33 118.25 1a4o n VAL 176 Ca -0.02 0.12 -0.06 0.00 -2.96 0.00 0.00 64.34 61.42 1a4o n VAL 176 Cb 0.20 -0.78 0.12 0.00 -1.06 0.00 0.00 33.84 32.33 1a4o n VAL 176 CO 0.00 0.00 0.00 0.15 -6.46 0.00 0.00 176.83 170.52 1a4o h PHE 177 N 0.00 0.47 -1.11 1.45 3.04 0.03 -3.31 116.94 117.51 1a4o h PHE 177 Ca 0.00 -0.16 -0.64 0.00 3.98 0.00 0.00 57.97 61.16 1a4o h PHE 177 Cb 0.27 -0.09 -0.10 0.00 2.56 0.00 0.00 35.95 38.59 1a4o h PHE 177 CO 0.00 0.81 1.72 0.71 -2.02 0.00 0.00 178.31 179.53 1a4o s TYR 178 N -3.99 2.68 0.00 0.41 2.02 -0.54 -5.08 117.35 112.84 1a4o s TYR 178 Ca -0.06 -1.19 0.00 0.00 -0.37 0.00 0.00 57.07 55.46 1a4o s TYR 178 Cb 0.12 -4.69 0.00 0.00 -0.40 0.00 0.00 41.96 36.99 1a4o s TYR 178 CO 0.81 -1.86 0.00 0.98 -1.57 0.00 0.00 175.55 173.91 1a4o n TYR 179 N 8.51 0.00 -3.41 2.71 9.36 -1.25 -4.90 117.16 128.18 1a4o n TYR 179 Ca 0.38 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.60 1a4o n TYR 179 Cb 0.49 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.20 1a4o n TYR 179 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1a4o n ALA 188 N 0.00 0.00 0.27 2.98 0.00 -1.03 -5.15 120.51 117.59 1a4o n ALA 188 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1a4o n ALA 188 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.59 1a4o n ALA 188 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a4o h SER 190 N 0.00 0.15 0.31 0.00 4.64 -1.98 -3.17 113.55 113.50 1a4o h SER 190 Ca 0.00 -0.83 -0.19 0.00 -0.47 0.00 0.00 61.79 60.29 1a4o h SER 190 Cb 0.05 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1a4o h SER 190 CO 0.00 1.32 -0.78 0.25 -0.87 0.00 0.00 176.83 176.74 1a4o h LEU 191 N -0.76 0.46 -0.21 5.97 5.85 -1.50 -2.00 115.31 123.12 1a4o h LEU 191 Ca -0.18 -0.32 -0.22 0.00 0.84 0.00 0.00 57.88 58.00 1a4o h LEU 191 Cb 1.33 -0.14 0.01 0.00 0.37 0.00 0.00 40.66 42.23 1a4o h LEU 191 CO -0.02 1.08 -0.85 0.00 -0.34 0.00 0.00 178.44 178.31 1a4o h ALA 192 N 0.91 0.38 0.50 1.25 0.00 -1.40 -1.82 119.26 119.08 1a4o h ALA 192 Ca -0.04 -0.65 -0.02 0.00 0.00 0.00 0.00 54.91 54.20 1a4o h ALA 192 Cb 1.37 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1a4o h ALA 192 CO 0.13 0.74 -0.24 -0.22 0.00 0.00 0.00 179.25 179.67 1a4o h LYS 193 N 0.36 -0.64 -0.79 0.00 3.64 -1.59 -3.12 116.57 114.43 1a4o h LYS 193 Ca -0.07 0.04 0.19 0.00 -1.27 0.00 0.00 60.65 59.54 1a4o h LYS 193 Cb 1.47 0.15 -0.14 0.00 -0.41 0.00 0.00 32.23 33.30 1a4o h LYS 193 CO 0.16 -0.35 0.04 1.15 -2.27 0.00 0.00 179.45 178.18 1a4o h THR 194 N -1.06 0.32 -0.77 1.00 2.02 -1.43 -0.03 112.91 112.95 1a4o h THR 194 Ca -0.07 -0.04 -0.05 0.00 0.77 0.00 0.00 66.41 67.02 1a4o h THR 194 Cb 0.59 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 1a4o h THR 194 CO 0.11 0.02 0.29 0.00 0.37 0.00 0.00 175.52 176.32 1a4o h ALA 195 N 1.73 1.01 0.00 6.16 0.00 -1.42 -2.64 119.26 124.10 1a4o h ALA 195 Ca 0.44 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 55.08 1a4o h ALA 195 Cb 0.80 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1a4o h ALA 195 CO -0.68 0.65 -0.34 0.35 0.00 0.00 0.00 179.25 179.23 1a4o h PHE 196 N 1.13 0.00 0.92 0.00 3.57 -1.23 -1.13 116.94 120.20 1a4o h PHE 196 Ca 0.26 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.71 1a4o h PHE 196 Cb 0.24 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.98 1a4o h PHE 196 CO 0.02 0.34 -0.49 0.22 -2.23 0.00 0.00 178.31 176.16 1a4o h ASP 197 N 0.00 -1.21 0.69 0.41 1.82 -0.67 -1.47 116.42 115.99 1a4o h ASP 197 Ca -0.00 0.05 -0.04 0.00 -0.39 0.00 0.00 57.03 56.65 1a4o h ASP 197 Cb 0.88 0.33 -0.01 0.00 0.68 0.00 0.00 39.33 41.22 1a4o h ASP 197 CO 0.04 -0.80 -0.17 -0.33 -1.61 0.00 0.00 179.24 176.37 1a4o h GLU 198 N -1.30 0.00 0.00 0.28 5.08 -1.47 -2.84 114.58 114.33 1a4o h GLU 198 Ca -0.13 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.16 1a4o h GLU 198 Cb 1.02 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 1a4o h GLU 198 CO 0.17 0.17 -0.33 0.00 -1.00 0.00 0.00 179.01 178.02 1a4o h ALA 199 N 1.83 1.12 -0.02 3.43 0.00 -0.58 -2.30 119.26 122.74 1a4o h ALA 199 Ca -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1a4o h ALA 199 Cb 0.56 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1a4o h ALA 199 CO 0.02 0.42 -0.10 -0.89 0.00 0.00 0.00 179.25 178.70 1a4o n ILE 200 N -3.67 0.00 1.56 0.00 5.41 -0.61 -3.66 119.36 118.39 1a4o n ILE 200 Ca -0.01 -0.29 0.11 0.00 1.00 0.00 0.00 62.75 63.56 1a4o n ILE 200 Cb 0.44 0.83 0.49 0.00 -0.71 0.00 0.00 39.64 40.69 1a4o n ILE 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1a4o n ALA 201 N 0.31 2.57 0.09 -1.39 0.00 -0.87 -2.79 120.51 118.43 1a4o n ALA 201 Ca 0.15 -0.36 0.05 0.00 0.00 0.00 0.00 53.44 53.28 1a4o n ALA 201 Cb 0.43 -1.19 0.10 0.00 0.00 0.00 0.00 19.45 18.79 1a4o n ALA 201 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1a4o n GLU 202 N -0.14 1.84 -1.88 0.00 2.13 -1.24 -5.10 120.64 116.25 1a4o n GLU 202 Ca 0.16 -1.63 -0.42 0.00 0.66 0.00 0.00 57.16 55.93 1a4o n GLU 202 Cb 0.23 -1.23 -0.03 0.00 0.27 0.00 0.00 31.44 30.69 1a4o n GLU 202 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1a4o s LEU 203 N -0.94 4.37 0.10 4.31 1.43 -1.12 -5.17 118.68 121.66 1a4o s LEU 203 Ca 0.17 2.50 -0.19 0.00 -1.03 0.00 0.00 54.13 55.59 1a4o s LEU 203 Cb 0.10 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.72 1a4o s LEU 203 CO 0.14 -0.93 1.17 -0.11 0.23 0.00 0.00 176.35 176.85 1a4o n LEU 216 N 6.13 -0.65 -0.33 1.79 7.94 -1.26 -5.18 117.00 125.44 1a4o n LEU 216 Ca 0.17 1.32 -0.07 0.00 -1.11 0.00 0.00 56.01 56.32 1a4o n LEU 216 Cb 0.41 -0.26 -0.03 0.00 0.53 0.00 0.00 43.42 44.07 1a4o n LEU 216 CO 0.64 -1.00 0.55 0.40 -1.11 0.00 0.00 177.39 176.86 1a4o h ILE 217 N 0.00 0.03 -0.58 1.96 2.04 -1.97 0.33 117.51 119.32 1a4o h ILE 217 Ca 0.10 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.07 1a4o h ILE 217 Cb 0.25 0.03 -0.09 0.00 -0.74 0.00 0.00 36.82 36.27 1a4o h ILE 217 CO -0.57 0.00 0.09 0.24 0.00 0.00 0.00 178.15 177.90 1a4o h MET 218 N -0.08 0.21 -0.13 2.37 2.86 -2.01 -1.95 114.93 116.19 1a4o h MET 218 Ca 0.23 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.83 1a4o h MET 218 Cb 0.53 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 32.14 1a4o h MET 218 CO -0.87 0.14 -0.04 0.37 1.06 0.00 0.00 176.91 177.57 1a4o h GLN 219 N 0.21 0.25 -0.84 1.72 -0.00 -1.58 -3.29 115.11 111.59 1a4o h GLN 219 Ca 0.30 -0.10 0.17 0.00 -0.00 0.00 0.00 58.65 59.02 1a4o h GLN 219 Cb 0.45 -0.01 -0.10 0.00 0.00 0.00 0.00 27.48 27.82 1a4o h GLN 219 CO -0.42 0.56 0.39 -0.07 0.00 0.00 0.00 178.83 179.29 1a4o h LEU 220 N -0.07 0.39 -0.58 -2.39 4.07 0.14 0.53 115.31 117.40 1a4o h LEU 220 Ca 0.03 0.12 0.00 0.00 0.08 0.00 0.00 57.88 58.11 1a4o h LEU 220 Cb 0.48 0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.29 1a4o h LEU 220 CO 0.01 0.12 0.00 0.17 -1.08 0.00 0.00 178.44 177.66 1a4o h LEU 221 N 0.50 0.00 0.10 1.67 -0.00 -1.44 0.77 115.31 116.91 1a4o h LEU 221 Ca 0.48 0.00 -0.21 0.00 -0.00 0.00 0.00 57.88 58.16 1a4o h LEU 221 Cb 0.78 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.44 1a4o h LEU 221 CO -0.43 0.00 -1.02 -0.09 -0.00 0.00 0.00 178.44 176.90 1a4o h ARG 222 N 0.00 0.21 -0.20 0.17 1.12 -0.66 -3.06 114.38 111.95 1a4o h ARG 222 Ca 0.00 -0.36 -0.00 0.00 -1.11 0.00 0.00 59.98 58.51 1a4o h ARG 222 Cb 0.56 0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 30.64 1a4o h ARG 222 CO 0.00 1.17 0.12 0.22 -3.11 0.00 0.00 179.97 178.37 1a4o h ASP 223 N -0.48 0.23 0.90 -3.80 1.82 -0.00 0.17 116.42 115.25 1a4o h ASP 223 Ca -0.22 -0.01 -0.02 0.00 -0.39 0.00 0.00 57.03 56.40 1a4o h ASP 223 Cb 1.58 -0.06 -0.00 0.00 0.68 0.00 0.00 39.33 41.53 1a4o h ASP 223 CO 0.06 0.18 -0.07 0.78 -1.61 0.00 0.00 179.24 178.58 1a4o h ASN 224 N 0.27 0.00 1.39 2.28 2.35 -0.87 -2.20 115.58 118.82 1a4o h ASN 224 Ca 0.07 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.73 1a4o h ASN 224 Cb -0.01 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 1a4o h ASN 224 CO -0.01 0.07 -0.63 -0.07 -1.65 0.00 0.00 177.43 175.14 1a4o h LEU 225 N 0.00 0.00 -1.00 1.61 4.07 -0.58 -1.65 115.31 117.76 1a4o h LEU 225 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1a4o h LEU 225 Cb 0.54 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.28 1a4o h LEU 225 CO 0.01 0.41 0.00 0.74 -1.08 0.00 0.00 178.44 178.52 1a4o h THR 226 N 0.00 0.00 0.00 0.22 2.02 -0.91 -3.22 112.91 111.02 1a4o h THR 226 Ca -0.03 -0.38 -0.20 0.00 0.77 0.00 0.00 66.41 66.57 1a4o h THR 226 Cb 1.34 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 68.96 1a4o h THR 226 CO 0.05 0.00 -1.54 0.18 0.37 0.00 0.00 175.52 174.58 1a4o n LEU 227 N -2.63 1.92 0.00 2.58 4.77 -1.18 -5.12 117.00 117.33 1a4o n LEU 227 Ca 0.02 0.38 0.00 0.00 -0.03 0.00 0.00 56.01 56.38 1a4o n LEU 227 Cb 0.28 -0.81 0.00 0.00 -2.33 0.00 0.00 43.42 40.55 1a4o n LEU 227 CO 0.24 0.08 0.19 -2.67 -1.33 0.00 0.00 177.39 173.90