#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 -2.51 -0.29 7.83 -0.08 -1.26 -4.75 116.55 115.49 1a4o n ASP 2 Ca 0.00 -0.12 0.20 0.00 -1.51 0.00 0.00 54.79 53.35 1a4o n ASP 2 Cb 0.00 -1.35 0.37 0.00 2.34 0.00 0.00 41.12 42.48 1a4o n ASP 2 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1a4o n LYS 3 N -1.72 -0.06 0.24 -0.67 4.81 -1.26 0.15 118.16 119.66 1a4o n LYS 3 Ca -0.03 1.27 0.15 0.00 -0.87 0.00 0.00 58.31 58.83 1a4o n LYS 3 Cb 0.53 -2.13 0.43 0.00 0.02 0.00 0.00 35.03 33.88 1a4o n LYS 3 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 1a4o h ASN 4 N 0.00 0.00 0.57 3.14 4.21 -1.97 0.26 115.58 121.79 1a4o h ASN 4 Ca 0.63 0.00 -0.28 0.00 1.21 0.00 0.00 56.30 57.85 1a4o h ASN 4 Cb 1.48 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.69 1a4o h ASN 4 CO -0.76 0.00 -1.33 -0.08 -1.29 0.00 0.00 177.43 173.97 1a4o h GLU 5 N 0.00 0.27 -0.26 0.81 4.81 0.11 0.14 114.58 120.46 1a4o h GLU 5 Ca 0.00 -0.46 -0.08 0.00 -0.13 0.00 0.00 59.36 58.68 1a4o h GLU 5 Cb 0.74 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.28 1a4o h GLU 5 CO 0.00 1.19 -0.20 -0.07 -0.73 0.00 0.00 179.01 179.21 1a4o h LEU 6 N 0.07 0.46 -0.08 1.64 -0.00 -1.04 0.40 115.31 116.76 1a4o h LEU 6 Ca -0.17 -0.14 -0.12 0.00 -0.00 0.00 0.00 57.88 57.46 1a4o h LEU 6 Cb 1.99 -0.12 0.01 0.00 -0.00 0.00 0.00 40.66 42.53 1a4o h LEU 6 CO 0.19 0.67 -0.41 0.58 -0.00 0.00 0.00 178.44 179.48 1a4o h VAL 7 N 0.42 1.40 0.00 1.22 2.07 -0.87 -2.57 116.25 117.93 1a4o h VAL 7 Ca 0.07 -1.78 -0.04 0.00 0.82 0.00 0.00 66.70 65.77 1a4o h VAL 7 Cb 0.58 2.28 -0.01 0.00 -1.52 0.00 0.00 31.29 32.63 1a4o h VAL 7 CO 0.04 0.52 -0.19 1.56 0.02 0.00 0.00 177.57 179.53 1a4o h GLN 8 N -0.04 0.00 -0.47 1.57 7.50 -0.56 -2.79 115.11 120.32 1a4o h GLN 8 Ca -0.03 0.00 -0.10 0.00 0.50 0.00 0.00 58.65 59.02 1a4o h GLN 8 Cb 1.06 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 28.57 1a4o h GLN 8 CO 0.08 0.19 -0.10 -0.22 -1.50 0.00 0.00 178.83 177.28 1a4o h LYS 9 N 0.00 0.89 0.00 1.46 3.11 -0.83 -2.68 116.57 118.52 1a4o h LYS 9 Ca -0.00 -0.34 -0.01 0.00 -2.81 0.00 0.00 60.65 57.49 1a4o h LYS 9 Cb 0.33 -0.05 -0.00 0.00 -1.00 0.00 0.00 32.23 31.51 1a4o h LYS 9 CO 0.02 0.98 -0.07 0.00 -2.81 0.00 0.00 179.45 177.58 1a4o h ALA 10 N 0.88 0.97 0.00 5.00 0.00 -1.20 -0.20 119.26 124.71 1a4o h ALA 10 Ca 0.12 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1a4o h ALA 10 Cb 0.65 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1a4o h ALA 10 CO 0.04 0.08 -0.55 0.87 0.00 0.00 0.00 179.25 179.69 1a4o h LYS 11 N 0.00 0.00 0.18 0.00 1.57 -1.42 -2.46 116.57 114.44 1a4o h LYS 11 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1a4o h LYS 11 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.16 1a4o h LYS 11 CO 0.01 0.55 -0.09 1.25 -0.57 0.00 0.00 179.45 180.61 1a4o h LEU 12 N 0.00 -0.20 -0.87 2.94 5.85 -1.15 -3.08 115.31 118.79 1a4o h LEU 12 Ca -0.01 0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.81 1a4o h LEU 12 Cb 1.37 0.05 -0.11 0.00 0.37 0.00 0.00 40.66 42.33 1a4o h LEU 12 CO 0.07 0.26 -0.57 0.00 -0.34 0.00 0.00 178.44 177.86 1a4o h ALA 13 N -1.08 -0.57 -0.95 1.25 0.00 -1.11 0.32 119.26 117.12 1a4o h ALA 13 Ca -0.02 0.10 0.13 0.00 0.00 0.00 0.00 54.91 55.11 1a4o h ALA 13 Cb 0.18 1.31 -0.09 0.00 0.00 0.00 0.00 17.79 19.20 1a4o h ALA 13 CO 0.04 -0.97 0.57 1.49 0.00 0.00 0.00 179.25 180.38 1a4o h GLU 14 N -0.09 0.86 0.00 0.00 4.81 -1.60 0.28 114.58 118.85 1a4o h GLU 14 Ca 0.15 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 1a4o h GLU 14 Cb 0.46 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.64 1a4o h GLU 14 CO -0.87 0.57 -0.04 1.96 -0.73 0.00 0.00 179.01 179.90 1a4o h GLN 15 N 0.88 0.00 -0.59 1.92 4.20 -0.32 0.14 115.11 121.34 1a4o h GLN 15 Ca 0.48 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.19 1a4o h GLN 15 Cb 0.53 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.31 1a4o h GLN 15 CO -0.29 0.04 0.00 0.00 -0.67 0.00 0.00 178.83 177.91 1a4o n ALA 16 N -2.19 2.36 0.00 3.87 0.00 0.86 -4.97 120.51 120.44 1a4o n ALA 16 Ca -0.02 -1.20 0.00 0.00 0.00 0.00 0.00 53.44 52.22 1a4o n ALA 16 Cb 0.15 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.77 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 1.46 0.00 -2.01 0.00 0.00 0.48 -4.94 120.64 115.63 1a4o n GLU 17 Ca 0.21 0.00 -0.26 0.00 0.00 0.00 0.00 57.16 57.12 1a4o n GLU 17 Cb 0.59 -2.02 -0.05 0.00 0.00 0.00 0.00 31.44 29.96 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 0.00 2.47 0.37 5.31 0.52 -0.99 -4.77 118.95 121.87 1a4o s ARG 18 Ca 0.00 -0.22 0.20 0.00 -0.52 0.00 0.00 55.73 55.18 1a4o s ARG 18 Cb 0.00 -5.04 0.54 0.00 0.52 0.00 0.00 34.95 30.97 1a4o s ARG 18 CO 0.00 -3.47 1.66 1.88 0.02 0.00 0.00 175.30 175.39 1a4o h TYR 19 N 11.41 0.00 -0.08 -0.53 0.05 -1.92 -2.57 116.97 123.33 1a4o h TYR 19 Ca 0.09 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.74 1a4o h TYR 19 Cb 1.00 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.73 1a4o h TYR 19 CO 1.21 0.35 -0.52 -0.44 -1.05 0.00 0.00 178.16 177.72 1a4o h ASP 20 N 0.00 0.23 0.54 3.88 3.32 -1.91 0.36 116.42 122.84 1a4o h ASP 20 Ca -0.00 -0.12 -0.10 0.00 0.02 0.00 0.00 57.03 56.84 1a4o h ASP 20 Cb 1.02 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 1a4o h ASP 20 CO 0.05 0.71 -0.46 0.44 -1.72 0.00 0.00 179.24 178.26 1a4o h ASP 21 N 0.17 0.00 0.13 6.45 5.19 -1.89 -1.76 116.42 124.70 1a4o h ASP 21 Ca 0.00 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.41 1a4o h ASP 21 Cb 0.97 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.48 1a4o h ASP 21 CO 0.08 0.46 -0.06 -0.03 -3.12 0.00 0.00 179.24 176.56 1a4o h MET 22 N 0.00 -0.17 -0.78 3.56 4.05 -0.96 -2.36 114.93 118.28 1a4o h MET 22 Ca -0.00 0.01 0.12 0.00 -0.28 0.00 0.00 59.70 59.55 1a4o h MET 22 Cb 0.85 0.04 -0.09 0.00 -0.80 0.00 0.00 31.60 31.60 1a4o h MET 22 CO 0.06 0.22 0.38 0.00 0.23 0.00 0.00 176.91 177.79 1a4o h ALA 23 N -0.53 1.12 -0.06 0.39 0.00 -0.98 0.31 119.26 119.51 1a4o h ALA 23 Ca -0.02 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1a4o h ALA 23 Cb 0.46 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1a4o h ALA 23 CO 0.03 -0.10 -0.12 0.00 0.00 0.00 0.00 179.25 179.07 1a4o h ALA 24 N 1.51 -0.08 -0.66 0.00 0.00 -1.39 0.35 119.26 118.98 1a4o h ALA 24 Ca 0.41 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.27 1a4o h ALA 24 Cb 0.53 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1a4o h ALA 24 CO -0.33 -0.59 0.11 0.00 0.00 0.00 0.00 179.25 178.43 1a4o h MET 26 N 1.01 0.00 -0.33 0.00 2.86 -0.18 -2.91 114.93 115.38 1a4o h MET 26 Ca 0.20 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.74 1a4o h MET 26 Cb 0.43 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.08 1a4o h MET 26 CO 0.01 0.66 -0.23 -0.22 1.06 0.00 0.00 176.91 178.19 1a4o h LYS 27 N 0.00 0.64 -0.40 1.72 3.64 -0.23 -1.74 116.57 120.19 1a4o h LYS 27 Ca -0.01 -0.25 -0.06 0.00 -1.27 0.00 0.00 60.65 59.06 1a4o h LYS 27 Cb 1.26 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 1a4o h LYS 27 CO 0.09 0.82 0.01 1.03 -2.27 0.00 0.00 179.45 179.13 1a4o h SER 28 N 0.56 0.68 -0.65 4.20 0.87 -1.44 -1.57 113.55 116.21 1a4o h SER 28 Ca 0.08 -0.30 -0.05 0.00 -1.23 0.00 0.00 61.79 60.29 1a4o h SER 28 Cb 0.70 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 62.44 1a4o h SER 28 CO 0.05 0.81 0.22 0.58 -0.53 0.00 0.00 176.83 177.97 1a4o h VAL 29 N 0.53 1.24 -0.04 2.23 2.07 -1.31 -2.71 116.25 118.26 1a4o h VAL 29 Ca 0.12 -0.83 -0.13 0.00 0.82 0.00 0.00 66.70 66.67 1a4o h VAL 29 Cb 0.46 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 1a4o h VAL 29 CO 0.02 0.33 -0.59 0.00 0.02 0.00 0.00 177.57 177.34 1a4o h THR 30 N 0.99 1.40 -0.69 2.57 1.03 -1.18 -3.11 112.91 113.93 1a4o h THR 30 Ca 0.22 -1.98 -0.42 0.00 -0.01 0.00 0.00 66.41 64.23 1a4o h THR 30 Cb 0.26 2.03 -0.21 0.00 -1.07 0.00 0.00 68.15 69.17 1a4o h THR 30 CO -0.01 0.58 0.53 -1.84 -0.01 0.00 0.00 175.52 174.77 1a4o n GLU 31 N -3.86 2.02 0.00 0.00 0.28 -0.60 -4.28 120.64 114.19 1a4o n GLU 31 Ca -0.02 -2.18 0.00 0.00 -0.16 0.00 0.00 57.16 54.80 1a4o n GLU 31 Cb 0.60 -1.85 0.00 0.00 1.43 0.00 0.00 31.44 31.61 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 -0.40 0.00 -3.41 3.44 -0.06 -1.18 -5.00 117.38 110.77 1a4o n GLN 32 Ca 0.43 0.00 -0.19 0.00 -2.00 0.00 0.00 57.00 55.24 1a4o n GLN 32 Cb 0.96 0.00 -0.10 0.00 -4.06 0.00 0.00 30.24 27.04 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 -0.02 -0.02 0.00 1.69 0.00 -1.26 -5.14 107.32 102.57 1a4o s GLY 33 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 44.72 44.14 1a4o s GLY 33 CO 0.00 2.59 0.00 0.00 0.00 0.00 0.00 173.10 175.69 1a4o n ALA 34 N 5.06 0.00 -1.12 3.20 0.00 -1.26 -4.93 120.51 121.45 1a4o n ALA 34 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1a4o n ALA 34 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 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 0.00 -1.81 0.00 4.07 -1.26 -4.95 120.64 116.69 1a4o n GLU 35 Ca 0.00 0.37 -0.41 0.00 -0.06 0.00 0.00 57.16 57.07 1a4o n GLU 35 Cb 0.00 -1.12 -0.03 0.00 -0.06 0.00 0.00 31.44 30.23 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 -1.36 3.43 0.32 4.31 1.02 -1.26 -4.93 118.68 120.20 1a4o s LEU 36 Ca 0.00 1.27 -0.26 0.00 0.02 0.00 0.00 54.13 55.16 1a4o s LEU 36 Cb 0.00 -3.16 -0.14 0.00 0.02 0.00 0.00 46.19 42.91 1a4o s LEU 36 CO 0.00 -2.12 0.64 -0.24 0.02 0.00 0.00 176.35 174.65 1a4o n SER 37 N 12.18 -0.49 -0.32 2.29 2.88 -1.26 -3.92 113.62 124.98 1a4o n SER 37 Ca 0.27 1.05 0.28 0.00 -1.33 0.00 0.00 58.87 59.13 1a4o n SER 37 Cb 0.49 -1.10 0.51 0.00 -0.75 0.00 0.00 64.21 63.36 1a4o n SER 37 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1a4o n ASN 38 N 1.54 0.24 -0.11 -3.46 4.13 -1.26 0.92 115.26 117.27 1a4o n ASN 38 Ca 0.13 1.64 -0.04 0.00 1.68 0.00 0.00 54.58 57.98 1a4o n ASN 38 Cb 0.33 -0.75 0.16 0.00 -1.54 0.00 0.00 39.78 37.98 1a4o n ASN 38 CO 0.00 0.00 0.00 -0.08 0.28 0.00 0.00 177.26 177.46 1a4o h GLU 39 N 0.00 0.79 -0.11 3.52 4.81 -2.01 -2.87 114.58 118.70 1a4o h GLU 39 Ca 0.78 -0.21 -0.11 0.00 -0.13 0.00 0.00 59.36 59.69 1a4o h GLU 39 Cb 1.98 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 31.27 1a4o h GLU 39 CO -0.79 0.80 -0.35 0.93 -0.73 0.00 0.00 179.01 178.87 1a4o h GLU 40 N 0.73 0.43 -0.31 1.92 5.08 0.26 -2.95 114.58 119.75 1a4o h GLU 40 Ca 0.14 -0.32 0.09 0.00 -1.00 0.00 0.00 59.36 58.28 1a4o h GLU 40 Cb 0.46 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1a4o h GLU 40 CO 0.02 0.94 0.25 -0.09 -1.00 0.00 0.00 179.01 179.13 1a4o h ARG 41 N 0.01 0.00 0.06 2.33 2.43 -0.41 0.13 114.38 118.93 1a4o h ARG 41 Ca -0.01 0.00 -0.37 0.00 -0.81 0.00 0.00 59.98 58.79 1a4o h ARG 41 Cb 0.97 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.48 1a4o h ARG 41 CO 0.07 0.00 -2.15 -1.71 -1.51 0.00 0.00 179.97 174.67 1a4o n ASN 42 N -4.22 2.04 -0.34 -3.80 4.05 -1.10 -3.56 115.26 108.33 1a4o n ASN 42 Ca 0.05 0.11 0.16 0.00 0.45 0.00 0.00 54.58 55.35 1a4o n ASN 42 Cb 0.41 -0.71 0.37 0.00 1.23 0.00 0.00 39.78 41.09 1a4o n ASN 42 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 177.26 174.46 1a4o h LEU 43 N -0.12 0.67 -0.16 1.20 5.85 -1.24 0.96 115.31 122.48 1a4o h LEU 43 Ca -0.49 0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.33 1a4o h LEU 43 Cb 1.90 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.95 1a4o h LEU 43 CO -0.04 0.13 -0.01 0.25 -0.34 0.00 0.00 178.44 178.43 1a4o h LEU 44 N 0.60 0.28 -0.07 2.25 5.85 -0.92 -2.23 115.31 121.06 1a4o h LEU 44 Ca 0.63 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 59.02 1a4o h LEU 44 Cb 1.16 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.11 1a4o h LEU 44 CO -0.46 0.53 0.00 -1.20 -0.34 0.00 0.00 178.44 176.97 1a4o n SER 45 N -4.73 0.34 -0.00 1.25 7.64 0.80 -2.03 113.62 116.88 1a4o n SER 45 Ca -0.05 0.54 -0.17 0.00 1.01 0.00 0.00 58.87 60.20 1a4o n SER 45 Cb 0.23 -0.63 -0.14 0.00 -1.01 0.00 0.00 64.21 62.66 1a4o n SER 45 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 1a4o n VAL 46 N -1.83 1.72 0.05 0.44 3.14 0.30 -3.13 118.33 119.02 1a4o n VAL 46 Ca 0.06 -0.71 -0.02 0.00 -2.96 0.00 0.00 64.34 60.71 1a4o n VAL 46 Cb 0.34 -1.49 -0.01 0.00 -1.06 0.00 0.00 33.84 31.62 1a4o n VAL 46 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1a4o h ALA 47 N 0.40 -0.65 -1.11 1.55 0.00 -1.39 -2.71 119.26 115.35 1a4o h ALA 47 Ca -0.38 -0.03 0.32 0.00 0.00 0.00 0.00 54.91 54.82 1a4o h ALA 47 Cb 2.03 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.82 1a4o h ALA 47 CO 0.09 -0.64 0.79 1.88 0.00 0.00 0.00 179.25 181.37 1a4o h TYR 48 N -0.21 0.06 0.02 0.00 0.05 -1.62 -1.62 116.97 113.65 1a4o h TYR 48 Ca -0.01 0.00 -0.21 0.00 0.05 0.00 0.00 58.73 58.56 1a4o h TYR 48 Cb 0.11 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 37.82 1a4o h TYR 48 CO 0.12 0.01 -0.95 1.57 -1.05 0.00 0.00 178.16 177.85 1a4o h LYS 49 N 0.04 0.17 -0.23 4.88 2.10 -1.54 -1.92 116.57 120.06 1a4o h LYS 49 Ca 0.54 -0.21 -0.19 0.00 -2.00 0.00 0.00 60.65 58.79 1a4o h LYS 49 Cb 2.08 0.07 0.00 0.00 -0.90 0.00 0.00 32.23 33.47 1a4o h LYS 49 CO -0.03 1.00 -0.59 -0.91 -2.00 0.00 0.00 179.45 176.91 1a4o h ASN 50 N 0.08 0.86 0.06 7.07 2.35 -0.97 -1.79 115.58 123.25 1a4o h ASN 50 Ca -0.05 -0.48 -0.00 0.00 -0.55 0.00 0.00 56.30 55.21 1a4o h ASN 50 Cb 1.61 -0.25 0.00 0.00 0.05 0.00 0.00 38.32 39.74 1a4o h ASN 50 CO 0.14 1.26 -0.03 0.58 -1.65 0.00 0.00 177.43 177.73 1a4o h VAL 51 N 0.57 0.00 0.00 2.81 2.07 -1.40 0.15 116.25 120.45 1a4o h VAL 51 Ca 0.00 -0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1a4o h VAL 51 Cb 1.19 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1a4o h VAL 51 CO 0.12 0.00 -0.14 1.62 0.02 0.00 0.00 177.57 179.20 1a4o h VAL 52 N -0.09 1.04 -0.40 2.57 3.04 -1.50 -2.19 116.25 118.72 1a4o h VAL 52 Ca -0.01 -0.48 0.02 0.00 -1.01 0.00 0.00 66.70 65.23 1a4o h VAL 52 Cb 0.07 1.26 -0.03 0.00 -2.01 0.00 0.00 31.29 30.58 1a4o h VAL 52 CO 0.01 0.13 0.21 1.23 -1.01 0.00 0.00 177.57 178.15 1a4o h GLY 53 N 0.45 0.55 0.53 3.17 0.00 -1.26 -0.60 103.07 105.91 1a4o h GLY 53 Ca -0.00 -0.15 0.09 0.00 0.00 0.00 0.00 47.33 47.27 1a4o h GLY 53 CO 0.02 0.12 0.48 0.00 0.00 0.00 0.00 176.54 177.16 1a4o h ALA 54 N 1.20 1.18 -0.48 3.60 0.00 -0.30 -2.05 119.26 122.40 1a4o h ALA 54 Ca 0.16 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 1a4o h ALA 54 Cb 0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1a4o h ALA 54 CO -0.10 0.10 -0.11 0.00 0.00 0.00 0.00 179.25 179.15 1a4o h ARG 55 N 0.80 0.92 -0.39 0.00 -0.00 -1.25 -2.36 114.38 112.11 1a4o h ARG 55 Ca 0.40 -0.35 -0.05 0.00 -0.50 0.00 0.00 59.98 59.48 1a4o h ARG 55 Cb 0.36 -0.05 -0.02 0.00 0.00 0.00 0.00 29.97 30.25 1a4o h ARG 55 CO -0.25 1.01 0.05 0.00 0.00 0.00 0.00 179.97 180.78 1a4o h ARG 56 N 0.78 0.59 0.20 0.04 3.08 -0.58 0.13 114.38 118.62 1a4o h ARG 56 Ca 0.12 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1a4o h ARG 56 Cb 0.66 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.62 1a4o h ARG 56 CO 0.05 0.58 -0.10 1.03 -1.07 0.00 0.00 179.97 180.46 1a4o h SER 57 N 0.57 -0.23 -0.70 7.04 0.87 -1.26 -1.83 113.55 118.01 1a4o h SER 57 Ca 0.13 -0.17 0.04 0.00 -1.23 0.00 0.00 61.79 60.55 1a4o h SER 57 Cb 0.29 0.06 -0.05 0.00 -0.44 0.00 0.00 62.40 62.26 1a4o h SER 57 CO 0.00 0.05 0.43 0.28 -0.53 0.00 0.00 176.83 177.06 1a4o h SER 58 N -0.52 0.68 -0.73 6.23 0.02 -1.18 -1.61 113.55 116.44 1a4o h SER 58 Ca -0.03 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1a4o h SER 58 Cb 0.39 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.76 1a4o h SER 58 CO 0.05 0.47 0.46 -0.25 -1.14 0.00 0.00 176.83 176.41 1a4o h TRP 59 N 0.82 0.95 0.37 3.45 7.01 -0.72 0.13 115.95 127.96 1a4o h TRP 59 Ca 0.29 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.28 1a4o h TRP 59 Cb 0.06 -0.31 0.00 0.00 -2.10 0.00 0.00 29.16 26.81 1a4o h TRP 59 CO -0.05 0.62 -0.18 0.00 -2.79 0.00 0.00 178.44 176.04 1a4o h ARG 60 N 1.00 -0.49 0.41 2.65 3.08 -0.48 -0.34 114.38 120.21 1a4o h ARG 60 Ca 0.27 0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.33 1a4o h ARG 60 Cb -0.07 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.10 1a4o h ARG 60 CO -0.05 -0.26 -0.19 -0.24 -1.07 0.00 0.00 179.97 178.15 1a4o h VAL 61 N -0.61 0.60 -0.80 2.04 3.04 -1.25 -2.10 116.25 117.18 1a4o h VAL 61 Ca -0.05 -0.22 0.10 0.00 -1.01 0.00 0.00 66.70 65.52 1a4o h VAL 61 Cb 0.45 0.71 -0.06 0.00 -2.01 0.00 0.00 31.29 30.38 1a4o h VAL 61 CO 0.08 0.04 0.52 1.62 -1.01 0.00 0.00 177.57 178.83 1a4o h VAL 62 N -0.67 0.92 -0.36 1.51 3.04 -1.00 0.31 116.25 120.00 1a4o h VAL 62 Ca -0.06 -0.24 -0.15 0.00 -1.01 0.00 0.00 66.70 65.25 1a4o h VAL 62 Cb 0.49 0.17 -0.01 0.00 -2.01 0.00 0.00 31.29 29.92 1a4o h VAL 62 CO 0.09 0.13 -0.36 0.28 -1.01 0.00 0.00 177.57 176.70 1a4o h SER 63 N 0.70 0.87 0.07 3.17 0.02 -0.97 -0.50 113.55 116.91 1a4o h SER 63 Ca 0.37 -0.38 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1a4o h SER 63 Cb 0.50 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1a4o h SER 63 CO -0.14 1.14 -0.03 0.77 -1.14 0.00 0.00 176.83 177.42 1a4o h SER 64 N 0.68 -0.08 -0.88 3.07 4.64 -0.59 -3.06 113.55 117.33 1a4o h SER 64 Ca 0.06 -0.36 0.15 0.00 -0.47 0.00 0.00 61.79 61.17 1a4o h SER 64 Cb 0.92 0.02 -0.07 0.00 -0.31 0.00 0.00 62.40 62.96 1a4o h SER 64 CO 0.08 0.34 0.57 0.40 -0.87 0.00 0.00 176.83 177.35 1a4o h ILE 65 N -0.50 0.81 0.00 0.95 2.04 -0.95 -0.08 117.51 119.79 1a4o h ILE 65 Ca -0.01 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1a4o h ILE 65 Cb 0.44 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1a4o h ILE 65 CO 0.01 0.12 0.00 -0.08 0.00 0.00 0.00 178.15 178.20 1a4o h GLU 66 N 0.64 0.00 0.02 2.37 4.81 -0.99 -3.12 114.58 118.31 1a4o h GLU 66 Ca 0.45 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 59.36 1a4o h GLU 66 Cb 0.78 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.11 1a4o h GLU 66 CO -0.20 0.00 -1.90 0.00 -0.73 0.00 0.00 179.01 176.18 1a4o n GLN 67 N -3.04 0.66 -1.93 1.92 0.00 -0.05 -4.78 117.38 110.16 1a4o n GLN 67 Ca -0.01 0.24 -0.37 0.00 0.00 0.00 0.00 57.00 56.86 1a4o n GLN 67 Cb 0.22 -1.73 -0.01 0.00 0.00 0.00 0.00 30.24 28.72 1a4o n GLN 67 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1a4o n LYS 68 N -3.09 4.08 -0.10 2.61 5.02 -1.16 -5.13 118.16 120.39 1a4o n LYS 68 Ca -0.23 -3.30 -0.17 0.00 -2.02 0.00 0.00 58.31 52.59 1a4o n LYS 68 Cb 1.07 -2.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.54 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 1.27 0.51 0.10 1.97 0.00 -1.26 -4.95 120.64 118.28 1a4o n GLU 73 Ca 0.57 0.21 0.02 0.00 0.00 0.00 0.00 57.16 57.96 1a4o n GLU 73 Cb 0.32 -1.38 0.36 0.00 0.00 0.00 0.00 31.44 30.74 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 -0.92 0.27 0.00 5.31 3.64 -2.02 0.41 116.57 123.26 1a4o h LYS 74 Ca -0.28 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.02 1a4o h LYS 74 Cb 1.21 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.99 1a4o h LYS 74 CO -0.17 0.43 -0.01 -0.22 -2.27 0.00 0.00 179.45 177.20 1a4o h LYS 75 N 0.26 0.00 0.22 1.90 3.64 -1.99 -2.07 116.57 118.53 1a4o h LYS 75 Ca 0.05 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.09 1a4o h LYS 75 Cb 0.42 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 32.27 1a4o h LYS 75 CO 0.03 0.01 -1.56 0.37 -2.27 0.00 0.00 179.45 176.03 1a4o h GLN 76 N 0.00 0.47 -0.42 1.90 4.15 -0.64 -2.49 115.11 118.08 1a4o h GLN 76 Ca -0.00 -0.80 -0.02 0.00 0.77 0.00 0.00 58.65 58.60 1a4o h GLN 76 Cb 0.55 0.30 -0.02 0.00 0.21 0.00 0.00 27.48 28.51 1a4o h GLN 76 CO 0.00 1.37 0.17 0.37 -1.93 0.00 0.00 178.83 178.81 1a4o h GLN 77 N 0.13 0.63 -0.72 1.69 4.15 -0.59 0.74 115.11 121.14 1a4o h GLN 77 Ca -0.28 -0.12 0.18 0.00 0.77 0.00 0.00 58.65 59.21 1a4o h GLN 77 Cb 2.13 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 29.68 1a4o h GLN 77 CO 0.24 0.59 0.50 0.00 -1.93 0.00 0.00 178.83 178.23 1a4o h MET 78 N 0.54 0.15 0.00 1.69 -0.00 -1.43 0.33 114.93 116.21 1a4o h MET 78 Ca 0.14 -0.01 -0.24 0.00 -0.00 0.00 0.00 59.70 59.59 1a4o h MET 78 Cb 0.20 -0.03 -0.04 0.00 -0.00 0.00 0.00 31.60 31.72 1a4o h MET 78 CO -0.01 0.10 -2.03 0.00 -0.00 0.00 0.00 176.91 174.97 1a4o n ALA 79 N -2.61 1.87 0.04 -3.00 0.00 -0.67 -2.87 120.51 113.27 1a4o n ALA 79 Ca 0.14 -0.94 -0.07 0.00 0.00 0.00 0.00 53.44 52.57 1a4o n ALA 79 Cb 0.68 -0.53 0.10 0.00 0.00 0.00 0.00 19.45 19.70 1a4o n ALA 79 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1a4o h ARG 80 N 0.00 0.42 -0.60 0.00 2.43 0.12 0.53 114.38 117.29 1a4o h ARG 80 Ca -0.33 -0.26 -0.10 0.00 -0.81 0.00 0.00 59.98 58.49 1a4o h ARG 80 Cb 1.82 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 31.37 1a4o h ARG 80 CO 0.03 0.85 -0.02 1.49 -1.51 0.00 0.00 179.97 180.81 1a4o h GLU 81 N 0.33 1.08 -0.02 0.20 4.81 -0.51 0.18 114.58 120.65 1a4o h GLU 81 Ca 0.01 -0.35 -0.25 0.00 -0.13 0.00 0.00 59.36 58.64 1a4o h GLU 81 Cb 1.04 -0.09 0.01 0.00 0.63 0.00 0.00 28.75 30.34 1a4o h GLU 81 CO 0.09 1.06 -0.97 -0.92 -0.73 0.00 0.00 179.01 177.54 1a4o h TYR 82 N 0.98 0.91 -0.21 0.92 3.20 -1.37 -3.16 116.97 118.24 1a4o h TYR 82 Ca 0.17 -0.48 -0.01 0.00 3.14 0.00 0.00 58.73 61.55 1a4o h TYR 82 Cb 0.59 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 1a4o h TYR 82 CO 0.04 1.31 0.10 -0.09 -1.64 0.00 0.00 178.16 177.88 1a4o h ARG 83 N 0.36 0.30 -0.95 1.82 2.43 -0.79 -2.68 114.38 114.87 1a4o h ARG 83 Ca -0.10 -0.04 0.24 0.00 -0.81 0.00 0.00 59.98 59.26 1a4o h ARG 83 Cb 1.61 -0.05 -0.17 0.00 -0.42 0.00 0.00 29.97 30.94 1a4o h ARG 83 CO 0.19 0.31 -0.03 1.49 -1.51 0.00 0.00 179.97 180.42 1a4o h GLU 84 N 0.20 0.03 0.18 0.20 4.81 -1.00 -0.46 114.58 118.54 1a4o h GLU 84 Ca 0.07 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 1a4o h GLU 84 Cb 0.12 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1a4o h GLU 84 CO -0.01 0.02 -0.09 -0.22 -0.73 0.00 0.00 179.01 177.98 1a4o h LYS 85 N 0.03 -0.23 0.00 1.92 3.64 -1.45 -2.38 116.57 118.09 1a4o h LYS 85 Ca 0.54 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.92 1a4o h LYS 85 Cb 1.04 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1a4o h LYS 85 CO -0.89 0.01 -0.08 0.82 -2.27 0.00 0.00 179.45 177.04 1a4o h ILE 86 N -0.46 0.76 -0.06 2.00 2.04 -1.04 -0.41 117.51 120.35 1a4o h ILE 86 Ca -0.02 -0.32 -0.12 0.00 1.00 0.00 0.00 64.86 65.40 1a4o h ILE 86 Cb 0.35 1.19 0.01 0.00 -0.74 0.00 0.00 36.82 37.63 1a4o h ILE 86 CO 0.04 0.08 -0.43 -0.08 0.00 0.00 0.00 178.15 177.77 1a4o h GLU 87 N 0.00 0.39 -0.17 2.37 4.81 -1.07 -1.63 114.58 119.28 1a4o h GLU 87 Ca -0.00 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 1a4o h GLU 87 Cb 0.18 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1a4o h GLU 87 CO 0.01 0.99 0.11 1.15 -0.73 0.00 0.00 179.01 180.54 1a4o h THR 88 N -0.09 1.05 -0.12 0.32 2.02 -0.87 0.15 112.91 115.36 1a4o h THR 88 Ca -0.04 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.06 1a4o h THR 88 Cb 1.09 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 1a4o h THR 88 CO 0.09 0.04 0.08 -0.33 0.37 0.00 0.00 175.52 175.77 1a4o h GLU 89 N 0.22 0.15 0.01 6.66 5.08 -1.13 -2.38 114.58 123.19 1a4o h GLU 89 Ca 0.06 -0.01 -0.25 0.00 -1.00 0.00 0.00 59.36 58.17 1a4o h GLU 89 Cb -0.02 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 1a4o h GLU 89 CO -0.01 0.10 -1.29 1.25 -1.00 0.00 0.00 179.01 178.05 1a4o h LEU 90 N 0.16 0.02 -0.60 1.33 5.85 -0.63 -3.31 115.31 118.13 1a4o h LEU 90 Ca 0.05 -0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.64 1a4o h LEU 90 Cb -0.00 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 1a4o h LEU 90 CO -0.01 1.03 -0.44 -0.09 -0.34 0.00 0.00 178.44 178.59 1a4o h ARG 91 N 0.00 0.00 0.00 1.25 9.65 -0.37 -2.87 114.38 122.04 1a4o h ARG 91 Ca -0.13 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.75 1a4o h ARG 91 Cb 1.88 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.46 1a4o h ARG 91 CO 0.11 0.44 0.00 -0.44 2.80 0.00 0.00 179.97 182.88 1a4o h ASP 92 N 0.00 0.00 0.08 -3.80 3.32 -1.53 -2.27 116.42 112.22 1a4o h ASP 92 Ca -0.00 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.74 1a4o h ASP 92 Cb 1.09 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.62 1a4o h ASP 92 CO 0.06 0.00 -1.65 0.40 -1.72 0.00 0.00 179.24 176.33 1a4o h ILE 93 N 0.00 0.78 0.06 0.35 1.08 -1.62 -3.02 117.51 115.14 1a4o h ILE 93 Ca 0.00 -2.28 -0.00 0.00 -0.39 0.00 0.00 64.86 62.18 1a4o h ILE 93 Cb 0.62 2.41 0.00 0.00 -3.07 0.00 0.00 36.82 36.79 1a4o h ILE 93 CO 0.00 0.65 -0.03 0.00 -0.69 0.00 0.00 178.15 178.08 1a4o h ASN 95 N -0.23 0.69 -0.51 0.00 4.21 -1.60 0.53 115.58 118.69 1a4o h ASN 95 Ca -0.01 0.02 -0.08 0.00 1.21 0.00 0.00 56.30 57.44 1a4o h ASN 95 Cb 0.20 -0.12 -0.02 0.00 -1.12 0.00 0.00 38.32 37.26 1a4o h ASN 95 CO 0.01 0.40 -0.01 -0.78 -1.29 0.00 0.00 177.43 175.76 1a4o h ASP 96 N 0.76 0.88 0.75 5.81 3.58 -1.23 -3.08 116.42 123.89 1a4o h ASP 96 Ca 0.40 -0.31 -0.21 0.00 0.42 0.00 0.00 57.03 57.33 1a4o h ASP 96 Cb 0.51 -0.24 -0.04 0.00 1.72 0.00 0.00 39.33 41.29 1a4o h ASP 96 CO -0.17 0.98 -1.37 1.62 -2.88 0.00 0.00 179.24 177.43 1a4o h VAL 97 N 0.76 0.84 0.00 2.25 3.04 0.85 -3.32 116.25 120.69 1a4o h VAL 97 Ca 0.14 -2.49 -0.04 0.00 -1.01 0.00 0.00 66.70 63.30 1a4o h VAL 97 Cb 0.53 2.34 -0.01 0.00 -2.01 0.00 0.00 31.29 32.15 1a4o h VAL 97 CO 0.03 0.48 -0.19 -0.07 -1.01 0.00 0.00 177.57 176.81 1a4o h LEU 98 N 0.00 0.00 0.07 3.16 4.07 -0.04 -1.29 115.31 121.29 1a4o h LEU 98 Ca -0.17 0.00 -0.18 0.00 0.08 0.00 0.00 57.88 57.61 1a4o h LEU 98 Cb 1.75 0.00 0.02 0.00 1.08 0.00 0.00 40.66 43.51 1a4o h LEU 98 CO 0.07 0.19 -0.75 -1.28 -1.08 0.00 0.00 178.44 175.60 1a4o h SER 99 N 0.00 0.53 -0.18 -0.43 0.87 -1.66 -1.17 113.55 111.51 1a4o h SER 99 Ca -0.00 -0.85 0.05 0.00 -1.23 0.00 0.00 61.79 59.75 1a4o h SER 99 Cb 0.40 -0.17 -0.05 0.00 -0.44 0.00 0.00 62.40 62.14 1a4o h SER 99 CO 0.02 1.33 -0.13 -0.07 -0.53 0.00 0.00 176.83 177.45 1a4o h LEU 100 N -0.20 -0.41 0.00 2.23 -0.00 -1.60 0.32 115.31 115.65 1a4o h LEU 100 Ca -0.11 0.09 0.00 0.00 -0.00 0.00 0.00 57.88 57.85 1a4o h LEU 100 Cb 1.51 0.21 0.00 0.00 -0.00 0.00 0.00 40.66 42.38 1a4o h LEU 100 CO 0.14 -0.17 0.00 0.18 -0.00 0.00 0.00 178.44 178.60 1a4o n LEU 101 N -5.28 0.00 0.29 1.67 4.32 -0.50 0.46 117.00 117.95 1a4o n LEU 101 Ca -0.02 0.48 0.17 0.00 -0.02 0.00 0.00 56.01 56.61 1a4o n LEU 101 Cb 0.20 0.00 0.95 0.00 -1.62 0.00 0.00 43.42 42.95 1a4o n LEU 101 CO 0.21 0.00 1.14 -0.33 -1.22 0.00 0.00 177.39 177.19 1a4o h GLU 102 N 0.00 0.00 -0.11 3.23 5.08 -1.25 0.32 114.58 121.84 1a4o h GLU 102 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1a4o h GLU 102 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1a4o h GLU 102 CO 0.00 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.64 1a4o n LYS 103 N -3.71 2.43 0.00 2.33 4.01 0.10 -4.61 118.16 118.70 1a4o n LYS 103 Ca -0.02 -2.20 0.00 0.00 -0.51 0.00 0.00 58.31 55.58 1a4o n LYS 103 Cb 0.11 -1.37 0.00 0.00 -0.51 0.00 0.00 35.03 33.26 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 -0.61 -1.61 -0.00 2.13 3.72 -0.25 -4.95 117.46 115.89 1a4o n PHE 104 Ca 0.11 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.51 1a4o n PHE 104 Cb 0.53 0.37 -0.00 0.00 -0.94 0.00 0.00 39.48 39.44 1a4o n PHE 104 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1a4o h LEU 105 N 0.00 0.00 -1.39 4.37 4.07 0.55 -3.31 115.31 119.60 1a4o h LEU 105 Ca 0.00 0.00 0.17 0.00 0.08 0.00 0.00 57.88 58.13 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 0.58 0.16 -1.08 0.00 0.00 178.44 178.10 1a4o h ILE 106 N -0.00 0.76 -0.00 1.22 3.07 -0.61 -1.06 117.51 120.88 1a4o h ILE 106 Ca 0.00 -0.19 0.00 0.00 1.55 0.00 0.00 64.86 66.22 1a4o h ILE 106 Cb 0.00 0.16 0.00 0.00 -0.27 0.00 0.00 36.82 36.71 1a4o h ILE 106 CO 0.00 0.10 -0.01 -0.81 -1.05 0.00 0.00 178.15 176.38 1a4o n PRO 107 N -4.55 0.44 -2.96 0.16 -0.04 -1.26 -3.76 135.00 123.04 1a4o n PRO 107 Ca 0.18 -0.01 -0.27 0.00 -0.04 0.00 0.00 63.50 63.36 1a4o n PRO 107 Cb 0.57 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.49 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 -1.27 4.50 -0.38 3.54 2.85 -0.40 -5.08 115.26 119.01 1a4o n ASN 108 Ca 0.14 -3.68 0.00 0.00 -0.11 0.00 0.00 54.58 50.94 1a4o n ASN 108 Cb 0.24 -0.57 0.00 0.00 1.24 0.00 0.00 39.78 40.69 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 -0.19 0.00 -0.86 5.20 0.00 -1.25 -4.26 120.51 119.15 1a4o n ALA 109 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1a4o n ALA 109 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 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 2.14 -0.04 0.00 0.00 -1.26 -4.99 120.51 113.36 1a4o n ALA 112 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1a4o n ALA 112 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 1a4o n ALA 112 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1a4o n GLU 113 N -1.21 0.66 -0.25 0.00 0.28 -1.26 -4.20 120.64 114.66 1a4o n GLU 113 Ca 0.00 -0.03 0.05 0.00 -0.16 0.00 0.00 57.16 57.02 1a4o n GLU 113 Cb 0.00 -1.58 0.29 0.00 1.43 0.00 0.00 31.44 31.58 1a4o n GLU 113 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 1a4o h SER 114 N 0.00 0.80 -0.97 -1.84 4.64 -1.99 -2.41 113.55 111.78 1a4o h SER 114 Ca -0.26 0.01 0.21 0.00 -0.47 0.00 0.00 61.79 61.27 1a4o h SER 114 Cb 1.63 -0.17 -0.09 0.00 -0.31 0.00 0.00 62.40 63.47 1a4o h SER 114 CO 0.02 0.51 0.62 0.11 -0.87 0.00 0.00 176.83 177.22 1a4o h LYS 115 N 0.91 0.55 0.13 4.77 1.57 -1.94 0.23 116.57 122.78 1a4o h LYS 115 Ca 0.36 -0.03 -0.23 0.00 -1.87 0.00 0.00 60.65 58.87 1a4o h LYS 115 Cb 0.23 -0.12 0.02 0.00 0.08 0.00 0.00 32.23 32.44 1a4o h LYS 115 CO -0.13 0.37 -0.98 -0.24 -0.57 0.00 0.00 179.45 177.90 1a4o h VAL 116 N 0.57 1.40 -0.07 0.50 3.04 -1.70 -2.16 116.25 117.84 1a4o h VAL 116 Ca 0.54 -2.45 0.03 0.00 -1.01 0.00 0.00 66.70 63.81 1a4o h VAL 116 Cb 1.10 2.94 -0.06 0.00 -2.01 0.00 0.00 31.29 33.26 1a4o h VAL 116 CO -0.28 0.72 -0.46 0.15 -1.01 0.00 0.00 177.57 176.69 1a4o h PHE 117 N -0.08 -1.32 0.26 3.17 3.04 -1.05 -0.01 116.94 120.94 1a4o h PHE 117 Ca -0.16 0.05 -0.01 0.00 3.98 0.00 0.00 57.97 61.83 1a4o h PHE 117 Cb 1.73 0.59 0.00 0.00 2.56 0.00 0.00 35.95 40.83 1a4o h PHE 117 CO 0.16 -0.51 -0.12 1.88 -2.02 0.00 0.00 178.31 177.69 1a4o h TYR 118 N -0.56 -0.32 -0.43 0.41 0.05 -1.13 -1.82 116.97 113.17 1a4o h TYR 118 Ca 0.05 -0.01 0.09 0.00 0.05 0.00 0.00 58.73 58.92 1a4o h TYR 118 Cb 0.66 0.11 -0.02 0.00 1.01 0.00 0.00 36.73 38.49 1a4o h TYR 118 CO -0.48 -0.13 0.30 -0.07 -1.05 0.00 0.00 178.16 176.72 1a4o h LEU 119 N -0.44 0.14 -0.05 3.88 4.07 -1.27 -0.49 115.31 121.15 1a4o h LEU 119 Ca -0.04 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.92 1a4o h LEU 119 Cb 0.33 -0.03 -0.00 0.00 1.08 0.00 0.00 40.66 42.04 1a4o h LEU 119 CO 0.06 0.09 0.01 0.50 -1.08 0.00 0.00 178.44 178.01 1a4o h LYS 120 N 0.16 0.09 -0.83 1.13 3.64 -0.71 -1.53 116.57 118.53 1a4o h LYS 120 Ca 0.20 -0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.66 1a4o h LYS 120 Cb 0.58 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 32.33 1a4o h LYS 120 CO -0.03 0.32 0.54 1.98 -2.27 0.00 0.00 179.45 179.99 1a4o h MET 121 N -0.15 0.72 0.12 1.90 4.05 -0.30 0.30 114.93 121.56 1a4o h MET 121 Ca 0.02 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.39 1a4o h MET 121 Cb 0.27 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 30.91 1a4o h MET 121 CO 0.00 0.47 -0.06 -0.22 0.23 0.00 0.00 176.91 177.34 1a4o h LYS 122 N 0.74 -0.16 -0.83 0.39 3.64 -0.81 -1.23 116.57 118.32 1a4o h LYS 122 Ca 0.39 0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.85 1a4o h LYS 122 Cb 0.51 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.30 1a4o h LYS 122 CO -0.16 0.07 0.50 0.78 -2.27 0.00 0.00 179.45 178.37 1a4o h GLY 123 N -0.37 1.25 0.83 5.01 0.00 -0.21 -1.53 103.07 108.05 1a4o h GLY 123 Ca -0.02 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 46.93 1a4o h GLY 123 CO 0.03 0.21 -0.49 -0.55 0.00 0.00 0.00 176.54 175.74 1a4o h ASP 124 N 0.89 -1.24 0.41 0.19 3.32 -0.21 0.41 116.42 120.19 1a4o h ASP 124 Ca 0.37 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.49 1a4o h ASP 124 Cb 0.23 0.35 0.00 0.00 0.22 0.00 0.00 39.33 40.13 1a4o h ASP 124 CO -0.19 -0.77 0.00 1.88 -1.72 0.00 0.00 179.24 178.44 1a4o h TYR 125 N -1.24 0.00 0.10 4.55 -1.99 -1.07 -0.29 116.97 117.04 1a4o h TYR 125 Ca -0.11 0.00 -0.29 0.00 2.00 0.00 0.00 58.73 60.33 1a4o h TYR 125 Cb 0.98 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.70 1a4o h TYR 125 CO -0.09 0.00 -1.43 1.88 -0.00 0.00 0.00 178.16 178.52 1a4o h TYR 126 N 0.00 0.39 -0.23 4.88 0.05 -1.09 -3.02 116.97 117.95 1a4o h TYR 126 Ca 0.00 -0.29 -0.05 0.00 0.05 0.00 0.00 58.73 58.45 1a4o h TYR 126 Cb 0.21 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 37.92 1a4o h TYR 126 CO 0.00 1.30 -0.07 -0.09 -1.05 0.00 0.00 178.16 178.25 1a4o h ARG 127 N 0.06 0.36 -0.13 4.88 2.43 0.49 0.46 114.38 122.93 1a4o h ARG 127 Ca -0.20 -0.08 -0.19 0.00 -0.81 0.00 0.00 59.98 58.70 1a4o h ARG 127 Cb 1.98 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 31.48 1a4o h ARG 127 CO 0.16 0.44 -0.70 1.88 -1.51 0.00 0.00 179.97 180.25 1a4o h TYR 128 N 0.34 0.76 0.00 2.20 0.05 -1.14 -2.10 116.97 117.08 1a4o h TYR 128 Ca 0.07 -0.32 -0.11 0.00 0.05 0.00 0.00 58.73 58.42 1a4o h TYR 128 Cb 0.34 -0.12 -0.02 0.00 1.01 0.00 0.00 36.73 37.94 1a4o h TYR 128 CO 0.01 1.10 -0.55 -0.07 -1.05 0.00 0.00 178.16 177.60 1a4o h LEU 129 N 0.40 0.00 -0.56 3.88 4.07 -1.28 -2.72 115.31 119.10 1a4o h LEU 129 Ca -0.03 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.79 1a4o h LEU 129 Cb 1.29 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.02 1a4o h LEU 129 CO 0.13 0.55 -0.37 0.00 -1.08 0.00 0.00 178.44 177.67 1a4o h ALA 130 N 1.45 0.74 -0.62 1.53 0.00 -0.71 0.27 119.26 121.92 1a4o h ALA 130 Ca -0.01 -0.44 -0.08 0.00 0.00 0.00 0.00 54.91 54.39 1a4o h ALA 130 Cb 1.05 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1a4o h ALA 130 CO 0.07 0.66 0.07 0.93 0.00 0.00 0.00 179.25 180.98 1a4o h GLU 131 N 0.62 1.05 0.00 0.00 5.08 -1.25 -3.29 114.58 116.79 1a4o h GLU 131 Ca 0.06 -0.30 -0.03 0.00 -1.00 0.00 0.00 59.36 58.09 1a4o h GLU 131 Cb 0.91 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 1a4o h GLU 131 CO 0.08 0.99 -0.82 0.28 -1.00 0.00 0.00 179.01 178.55 1a4o h VAL 132 N 0.96 0.12 -3.60 3.13 2.07 -1.33 -3.48 116.25 114.11 1a4o h VAL 132 Ca 0.19 -1.22 -0.44 0.00 0.82 0.00 0.00 66.70 66.05 1a4o h VAL 132 Cb 0.47 1.74 0.18 0.00 -1.52 0.00 0.00 31.29 32.16 1a4o h VAL 132 CO 0.02 0.07 0.12 0.00 0.02 0.00 0.00 177.57 177.79 1a4o s ALA 133 N -3.24 0.36 0.00 1.67 0.00 0.94 -5.07 121.76 116.41 1a4o s ALA 133 Ca 0.01 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.57 1a4o s ALA 133 Cb 0.08 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 20.09 1a4o s ALA 133 CO 0.77 -3.33 0.00 0.00 0.00 0.00 0.00 175.76 173.20 1a4o n ALA 134 N -4.54 2.12 -1.04 0.00 0.00 -1.26 -4.81 120.51 110.98 1a4o n ALA 134 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1a4o n ALA 134 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 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 3.94 0.86 0.07 0.00 0.00 -1.26 -4.51 105.19 104.29 1a4o n GLY 135 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 0.32 -0.16 1.61 -0.08 -1.26 -1.81 116.55 115.16 1a4o n ASP 136 Ca 0.00 0.60 -0.08 0.00 -1.51 0.00 0.00 54.79 53.80 1a4o n ASP 136 Cb 0.00 -0.66 0.01 0.00 2.34 0.00 0.00 41.12 42.82 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 0.59 -0.74 1.67 5.19 -1.98 -3.19 116.42 117.96 1a4o h ASP 137 Ca 0.00 -0.07 0.13 0.00 -0.62 0.00 0.00 57.03 56.46 1a4o h ASP 137 Cb 0.22 -0.15 -0.13 0.00 0.18 0.00 0.00 39.33 39.45 1a4o h ASP 137 CO 0.00 0.49 -0.33 0.50 -3.12 0.00 0.00 179.24 176.78 1a4o h LYS 138 N 0.64 -0.09 0.70 3.56 1.63 -1.59 -2.51 116.57 118.91 1a4o h LYS 138 Ca 0.17 0.01 -0.03 0.00 -0.85 0.00 0.00 60.65 59.95 1a4o h LYS 138 Cb 0.02 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 31.67 1a4o h LYS 138 CO -0.03 -0.06 -0.41 0.87 -3.45 0.00 0.00 179.45 176.37 1a4o h LYS 139 N -0.09 -1.00 -1.03 1.90 1.57 -1.72 -1.72 116.57 114.48 1a4o h LYS 139 Ca 0.29 0.07 0.27 0.00 -1.87 0.00 0.00 60.65 59.41 1a4o h LYS 139 Cb 0.57 0.23 -0.12 0.00 0.08 0.00 0.00 32.23 32.98 1a4o h LYS 139 CO -0.79 -0.67 0.62 0.78 -0.57 0.00 0.00 179.45 178.83 1a4o h GLY 140 N -1.04 1.74 0.40 3.86 0.00 -1.52 -2.14 103.07 104.37 1a4o h GLY 140 Ca -0.09 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 1a4o h GLY 140 CO 0.10 -0.27 -0.01 -2.22 0.00 0.00 0.00 176.54 174.14 1a4o h ILE 141 N 0.46 1.39 -0.36 2.60 2.04 -1.37 -2.74 117.51 119.54 1a4o h ILE 141 Ca 0.66 -1.36 0.02 0.00 1.00 0.00 0.00 64.86 65.18 1a4o h ILE 141 Cb 1.45 2.28 -0.02 0.00 -0.74 0.00 0.00 36.82 39.79 1a4o h ILE 141 CO -0.45 0.34 0.24 1.62 0.00 0.00 0.00 178.15 179.90 1a4o h VAL 142 N -0.64 1.05 0.11 1.67 3.04 -0.70 -0.91 116.25 119.87 1a4o h VAL 142 Ca -0.00 -0.14 -0.27 0.00 -1.01 0.00 0.00 66.70 65.27 1a4o h VAL 142 Cb 0.59 0.60 0.01 0.00 -2.01 0.00 0.00 31.29 30.47 1a4o h VAL 142 CO 0.01 0.08 -1.19 -0.78 -1.01 0.00 0.00 177.57 174.68 1a4o h ASP 143 N 0.42 0.50 0.17 3.17 3.58 -1.51 -2.22 116.42 120.53 1a4o h ASP 143 Ca 0.14 -0.49 -0.04 0.00 0.42 0.00 0.00 57.03 57.06 1a4o h ASP 143 Cb 0.04 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 40.93 1a4o h ASP 143 CO -0.03 1.36 -0.17 1.56 -2.88 0.00 0.00 179.24 179.07 1a4o h GLN 144 N 0.12 0.01 -0.07 0.28 1.08 -1.07 -1.16 115.11 114.29 1a4o h GLN 144 Ca -0.13 -0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 56.86 1a4o h GLN 144 Cb 1.89 -0.00 0.01 0.00 -0.05 0.00 0.00 27.48 29.33 1a4o h GLN 144 CO 0.20 0.18 -0.76 1.03 -0.95 0.00 0.00 178.83 178.53 1a4o h SER 145 N 0.01 0.79 0.54 1.46 0.87 -1.12 -3.20 113.55 112.89 1a4o h SER 145 Ca -0.00 -0.68 -0.02 0.00 -1.23 0.00 0.00 61.79 59.85 1a4o h SER 145 Cb 0.31 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 1a4o h SER 145 CO 0.02 1.36 -0.34 -0.61 -0.53 0.00 0.00 176.83 176.74 1a4o h GLN 146 N 0.29 -0.80 0.00 2.24 4.15 -0.74 -1.16 115.11 119.10 1a4o h GLN 146 Ca -0.07 0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1a4o h GLN 146 Cb 1.41 0.18 0.00 0.00 0.21 0.00 0.00 27.48 29.28 1a4o h GLN 146 CO 0.15 -0.53 0.00 0.00 -1.93 0.00 0.00 178.83 176.52 1a4o n GLN 147 N -5.47 0.16 -0.08 1.69 10.64 -0.51 0.85 117.38 124.67 1a4o n GLN 147 Ca -0.12 0.18 -0.23 0.00 -1.83 0.00 0.00 57.00 55.00 1a4o n GLN 147 Cb 0.36 -1.50 -0.12 0.00 -0.86 0.00 0.00 30.24 28.12 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 -1.29 0.96 -0.16 2.61 0.00 -1.06 -2.99 120.51 118.58 1a4o n ALA 148 Ca 0.05 -0.70 -0.04 0.00 0.00 0.00 0.00 53.44 52.76 1a4o n ALA 148 Cb 0.10 -0.43 0.16 0.00 0.00 0.00 0.00 19.45 19.27 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 -0.54 0.94 0.00 0.00 0.05 -0.60 -2.15 116.97 114.67 1a4o h TYR 149 Ca -0.46 -0.09 -0.01 0.00 0.05 0.00 0.00 58.73 58.22 1a4o h TYR 149 Cb 1.66 -0.27 -0.00 0.00 1.01 0.00 0.00 36.73 39.13 1a4o h TYR 149 CO 0.05 0.78 -0.03 0.37 -1.05 0.00 0.00 178.16 178.28 1a4o h GLN 150 N 0.87 0.00 0.00 4.88 4.15 0.31 0.21 115.11 125.54 1a4o h GLN 150 Ca 0.19 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.57 1a4o h GLN 150 Cb 0.31 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.99 1a4o h GLN 150 CO -0.00 0.03 -0.27 1.49 -1.93 0.00 0.00 178.83 178.14 1a4o h GLU 151 N 0.00 0.00 -0.69 1.69 4.81 -1.36 -2.97 114.58 116.07 1a4o h GLU 151 Ca -0.00 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1a4o h GLU 151 Cb 0.69 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.03 1a4o h GLU 151 CO 0.00 0.73 0.46 0.00 -0.73 0.00 0.00 179.01 179.47 1a4o h ALA 152 N -0.36 1.52 -0.97 2.92 0.00 -1.42 -1.86 119.26 119.10 1a4o h ALA 152 Ca -0.07 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.82 1a4o h ALA 152 Cb 0.82 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 1a4o h ALA 152 CO -0.04 0.44 0.64 0.35 0.00 0.00 0.00 179.25 180.64 1a4o h PHE 153 N 0.92 1.20 0.00 0.00 3.57 -0.68 -1.43 116.94 120.53 1a4o h PHE 153 Ca 0.26 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.72 1a4o h PHE 153 Cb -0.09 -0.40 -0.01 0.00 2.79 0.00 0.00 35.95 38.24 1a4o h PHE 153 CO -0.00 0.73 -0.29 0.93 -2.23 0.00 0.00 178.31 177.44 1a4o h GLU 154 N 1.27 0.00 0.00 1.11 5.08 -1.17 -2.48 114.58 118.39 1a4o h GLU 154 Ca 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1a4o h GLU 154 Cb -0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1a4o h GLU 154 CO -0.10 0.29 0.00 -0.89 -1.00 0.00 0.00 179.01 177.32 1a4o n ILE 155 N -3.19 0.28 -0.19 3.13 5.41 -0.93 -2.91 119.36 120.96 1a4o n ILE 155 Ca 0.02 -0.03 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1a4o n ILE 155 Cb 0.63 -0.60 0.10 0.00 -0.71 0.00 0.00 39.64 39.06 1a4o n ILE 155 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1a4o h SER 156 N 0.00 -0.03 -0.73 4.38 0.02 -0.78 -2.26 113.55 114.15 1a4o h SER 156 Ca 0.00 0.11 -0.73 0.00 -0.84 0.00 0.00 61.79 60.34 1a4o h SER 156 Cb 0.52 0.16 -0.08 0.00 0.14 0.00 0.00 62.40 63.14 1a4o h SER 156 CO 0.00 -0.00 2.75 2.29 -1.14 0.00 0.00 176.83 180.73 1a4o n LYS 157 N -5.14 3.69 0.00 3.45 2.85 -1.15 -3.97 118.16 117.89 1a4o n LYS 157 Ca 0.08 -3.03 0.00 0.00 -1.05 0.00 0.00 58.31 54.31 1a4o n LYS 157 Cb 0.31 -2.92 0.00 0.00 -0.65 0.00 0.00 35.03 31.78 1a4o n LYS 157 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1a4o n LYS 158 N 3.82 0.00 -1.14 -1.58 4.81 -0.85 -4.93 118.16 118.29 1a4o n LYS 158 Ca 0.56 0.00 -0.23 0.00 -0.87 0.00 0.00 58.31 57.76 1a4o n LYS 158 Cb 0.31 0.00 0.15 0.00 0.02 0.00 0.00 35.03 35.52 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 2.20 0.00 1.64 2.13 -1.26 -5.18 120.64 120.17 1a4o n GLU 159 Ca 0.00 -2.79 0.00 0.00 0.66 0.00 0.00 57.16 55.03 1a4o n GLU 159 Cb 0.00 -2.09 0.00 0.00 0.27 0.00 0.00 31.44 29.62 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 -0.96 0.00 0.00 5.31 2.81 -1.25 -4.99 117.12 118.04 1a4o n MET 160 Ca 0.55 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.44 1a4o n MET 160 Cb 1.44 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.95 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 -0.04 2.02 3.06 -1.26 -4.96 119.36 118.18 1a4o n ILE 166 Ca 0.00 0.00 -0.12 0.00 -2.50 0.00 0.00 62.75 60.13 1a4o n ILE 166 Cb 0.00 0.00 -0.07 0.00 0.54 0.00 0.00 39.64 40.11 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 0.22 -0.17 9.51 2.43 -1.95 0.89 114.38 125.31 1a4o h ARG 167 Ca 0.00 -0.09 -0.16 0.00 -0.81 0.00 0.00 59.98 58.91 1a4o h ARG 167 Cb 0.00 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1a4o h ARG 167 CO 0.00 0.56 -0.57 1.25 -1.51 0.00 0.00 179.97 179.70 1a4o h LEU 168 N -0.12 0.61 -0.87 3.80 5.85 -1.98 -1.86 115.31 120.74 1a4o h LEU 168 Ca 0.03 -0.33 -0.05 0.00 0.84 0.00 0.00 57.88 58.37 1a4o h LEU 168 Cb 0.48 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1a4o h LEU 168 CO 0.01 1.05 -0.23 1.23 -0.34 0.00 0.00 178.44 180.17 1a4o h GLY 169 N 1.07 0.00 0.54 3.75 0.00 -1.93 -2.54 103.07 103.96 1a4o h GLY 169 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1a4o h GLY 169 CO 0.11 0.00 -0.04 -2.00 0.00 0.00 0.00 176.54 174.61 1a4o h LEU 170 N 0.00 0.09 -0.74 3.11 5.85 0.11 -2.72 115.31 121.01 1a4o h LEU 170 Ca -0.00 -0.52 0.16 0.00 0.84 0.00 0.00 57.88 58.36 1a4o h LEU 170 Cb 0.85 -0.02 -0.11 0.00 0.37 0.00 0.00 40.66 41.74 1a4o h LEU 170 CO 0.03 0.59 0.14 0.00 -0.34 0.00 0.00 178.44 178.86 1a4o h ALA 171 N 0.50 0.92 0.42 1.25 0.00 -1.13 0.40 119.26 121.62 1a4o h ALA 171 Ca 0.00 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1a4o h ALA 171 Cb 0.57 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1a4o h ALA 171 CO 0.01 -0.37 -0.48 1.25 0.00 0.00 0.00 179.25 179.67 1a4o h LEU 172 N 0.23 -1.33 0.19 0.00 5.85 -1.39 0.21 115.31 119.06 1a4o h LEU 172 Ca 0.42 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 59.24 1a4o h LEU 172 Cb 0.73 0.45 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 1a4o h LEU 172 CO -0.55 -0.61 -0.12 0.78 -0.34 0.00 0.00 178.44 177.61 1a4o h ASN 173 N -0.91 -0.29 -0.52 1.25 2.35 -1.05 -1.41 115.58 115.01 1a4o h ASN 173 Ca -0.05 0.02 0.15 0.00 -0.55 0.00 0.00 56.30 55.87 1a4o h ASN 173 Cb 0.80 0.09 -0.02 0.00 0.05 0.00 0.00 38.32 39.24 1a4o h ASN 173 CO -0.09 -0.19 0.37 0.15 -1.65 0.00 0.00 177.43 176.02 1a4o h PHE 174 N -0.30 0.00 -0.09 1.19 3.57 -0.16 0.16 116.94 121.32 1a4o h PHE 174 Ca -0.02 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.30 1a4o h PHE 174 Cb 0.25 -0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.00 1a4o h PHE 174 CO -0.09 0.00 -0.67 1.03 -2.23 0.00 0.00 178.31 176.36 1a4o h SER 175 N 0.00 0.74 0.74 0.41 0.87 0.07 -2.85 113.55 113.54 1a4o h SER 175 Ca 0.25 -0.67 -0.03 0.00 -1.23 0.00 0.00 61.79 60.11 1a4o h SER 175 Cb 0.98 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.72 1a4o h SER 175 CO -0.00 1.30 -0.12 1.62 -0.53 0.00 0.00 176.83 179.09 1a4o h VAL 176 N 0.24 0.37 -0.30 2.23 3.04 0.10 -1.49 116.25 120.44 1a4o h VAL 176 Ca -0.06 -0.72 0.09 0.00 -1.01 0.00 0.00 66.70 64.99 1a4o h VAL 176 Cb 1.32 1.53 -0.01 0.00 -2.01 0.00 0.00 31.29 32.12 1a4o h VAL 176 CO 0.14 0.12 0.25 0.15 -1.01 0.00 0.00 177.57 177.21 1a4o h PHE 177 N 0.00 0.00 -3.37 3.17 3.57 -0.54 -3.01 116.94 116.76 1a4o h PHE 177 Ca -0.00 0.00 -0.79 0.00 3.53 0.00 0.00 57.97 60.71 1a4o h PHE 177 Cb 0.52 0.00 -0.27 0.00 2.79 0.00 0.00 35.95 39.00 1a4o h PHE 177 CO 0.00 0.00 0.58 0.66 -2.23 0.00 0.00 178.31 177.32 1a4o n TYR 178 N -4.16 5.25 0.00 0.41 4.01 -0.56 -5.10 117.16 117.01 1a4o n TYR 178 Ca 0.04 -3.84 0.00 0.00 -0.16 0.00 0.00 57.90 53.94 1a4o n TYR 178 Cb 0.41 -1.77 0.00 0.00 -0.31 0.00 0.00 39.34 37.66 1a4o n TYR 178 CO 0.00 0.00 0.00 0.98 -0.46 0.00 0.00 176.86 177.38 1a4o n TYR 179 N 3.07 0.00 -0.96 -0.72 9.36 -1.14 -4.86 117.16 121.91 1a4o n TYR 179 Ca 0.26 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.48 1a4o n TYR 179 Cb 0.39 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.10 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 0.23 2.98 0.00 -1.26 -5.16 120.51 117.30 1a4o n ALA 188 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.60 1a4o n ALA 188 Cb 0.00 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.17 1a4o n ALA 188 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1a4o n SER 190 N -3.16 0.00 -0.28 0.00 3.41 -1.26 -2.96 113.62 109.37 1a4o n SER 190 Ca 0.02 0.64 0.21 0.00 -0.26 0.00 0.00 58.87 59.49 1a4o n SER 190 Cb 0.56 -0.32 0.51 0.00 -0.26 0.00 0.00 64.21 64.71 1a4o n SER 190 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1a4o h LEU 191 N 0.00 0.42 -1.22 1.04 5.85 -1.76 0.26 115.31 119.89 1a4o h LEU 191 Ca 0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1a4o h LEU 191 Cb 0.00 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.01 1a4o h LEU 191 CO 0.00 0.13 0.00 0.00 -0.34 0.00 0.00 178.44 178.23 1a4o h ALA 192 N 1.60 1.00 0.03 1.25 0.00 -1.19 0.42 119.26 122.37 1a4o h ALA 192 Ca 0.52 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 55.23 1a4o h ALA 192 Cb 1.34 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 1a4o h ALA 192 CO -0.22 0.00 -1.10 -0.22 0.00 0.00 0.00 179.25 177.71 1a4o h LYS 193 N 0.00 0.06 -0.49 0.00 3.64 -0.45 -3.29 116.57 116.04 1a4o h LYS 193 Ca 0.00 -0.11 0.09 0.00 -1.27 0.00 0.00 60.65 59.36 1a4o h LYS 193 Cb 0.56 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.35 1a4o h LYS 193 CO 0.00 1.05 0.05 1.15 -2.27 0.00 0.00 179.45 179.43 1a4o h THR 194 N -0.80 0.67 -0.96 1.00 2.02 -1.00 1.12 112.91 114.97 1a4o h THR 194 Ca -0.28 -0.06 0.09 0.00 0.77 0.00 0.00 66.41 66.93 1a4o h THR 194 Cb 1.38 0.48 -0.08 0.00 -1.74 0.00 0.00 68.15 68.20 1a4o h THR 194 CO -0.10 0.03 0.60 0.00 0.37 0.00 0.00 175.52 176.42 1a4o h ALA 195 N 1.41 1.38 0.00 6.16 0.00 -0.33 -2.73 119.26 125.15 1a4o h ALA 195 Ca 0.25 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.05 1a4o h ALA 195 Cb 0.35 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1a4o h ALA 195 CO -0.36 0.27 -1.33 0.34 0.00 0.00 0.00 179.25 178.17 1a4o n PHE 196 N -4.61 0.92 0.23 0.00 7.35 -0.84 -2.89 117.46 117.63 1a4o n PHE 196 Ca 0.16 0.29 -0.15 0.00 -0.76 0.00 0.00 57.45 57.00 1a4o n PHE 196 Cb 0.27 -1.02 -0.08 0.00 0.35 0.00 0.00 39.48 39.00 1a4o n PHE 196 CO 0.00 0.00 0.00 0.22 -0.76 0.00 0.00 176.76 176.22 1a4o h ASP 197 N 0.00 -0.47 0.67 -2.13 1.82 0.15 -1.16 116.42 115.30 1a4o h ASP 197 Ca -0.11 -0.06 -0.07 0.00 -0.39 0.00 0.00 57.03 56.40 1a4o h ASP 197 Cb 1.39 0.12 -0.01 0.00 0.68 0.00 0.00 39.33 41.51 1a4o h ASP 197 CO 0.03 -0.23 -0.33 -0.33 -1.61 0.00 0.00 179.24 176.77 1a4o h GLU 198 N -0.68 0.00 0.00 0.28 5.08 -1.65 -2.19 114.58 115.42 1a4o h GLU 198 Ca -0.06 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.24 1a4o h GLU 198 Cb 0.49 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1a4o h GLU 198 CO 0.09 0.33 -0.29 0.00 -1.00 0.00 0.00 179.01 178.14 1a4o h ALA 199 N 1.67 1.10 -0.58 3.43 0.00 -1.33 -2.63 119.26 120.93 1a4o h ALA 199 Ca -0.00 -0.26 -0.31 0.00 0.00 0.00 0.00 54.91 54.34 1a4o h ALA 199 Cb 0.75 -0.05 -0.18 0.00 0.00 0.00 0.00 17.79 18.31 1a4o h ALA 199 CO 0.04 0.36 0.39 -0.89 0.00 0.00 0.00 179.25 179.15 1a4o n ILE 200 N -3.58 2.31 -2.14 0.00 5.41 -0.47 -2.67 119.36 118.21 1a4o n ILE 200 Ca -0.01 -1.15 0.01 0.00 1.00 0.00 0.00 62.75 62.61 1a4o n ILE 200 Cb 0.42 -0.71 0.01 0.00 -0.71 0.00 0.00 39.64 38.65 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 -0.45 2.11 0.22 -1.39 0.00 -0.99 -4.61 120.51 115.41 1a4o n ALA 201 Ca 0.35 -1.41 0.02 0.00 0.00 0.00 0.00 53.44 52.41 1a4o n ALA 201 Cb 1.17 -0.57 -0.01 0.00 0.00 0.00 0.00 19.45 20.04 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 3.62 -2.98 0.00 2.13 -1.09 -5.08 120.64 117.38 1a4o n GLU 202 Ca 0.02 -0.26 -0.29 0.00 0.66 0.00 0.00 57.16 57.29 1a4o n GLU 202 Cb 0.83 -0.84 -0.02 0.00 0.27 0.00 0.00 31.44 31.68 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 -1.64 3.87 0.06 4.31 1.43 -1.26 -5.15 118.68 120.30 1a4o s LEU 203 Ca 0.03 0.93 -0.11 0.00 -1.03 0.00 0.00 54.13 53.95 1a4o s LEU 203 Cb 0.04 -3.81 -0.03 0.00 0.03 0.00 0.00 46.19 42.43 1a4o s LEU 203 CO 0.15 -0.37 0.61 -0.11 0.23 0.00 0.00 176.35 176.86 1a4o n LEU 216 N -1.41 -0.39 -0.20 1.79 7.94 -1.26 -5.20 117.00 118.27 1a4o n LEU 216 Ca 0.00 0.69 0.01 0.00 -1.11 0.00 0.00 56.01 55.61 1a4o n LEU 216 Cb 0.54 -0.10 0.12 0.00 0.53 0.00 0.00 43.42 44.51 1a4o n LEU 216 CO 0.49 -0.55 0.94 0.40 -1.11 0.00 0.00 177.39 177.56 1a4o h ILE 217 N 0.00 0.67 -0.60 1.96 2.04 -2.01 -1.68 117.51 117.89 1a4o h ILE 217 Ca 0.06 -0.10 -0.05 0.00 1.00 0.00 0.00 64.86 65.76 1a4o h ILE 217 Cb 0.15 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 1a4o h ILE 217 CO -0.35 0.06 0.18 0.24 0.00 0.00 0.00 178.15 178.28 1a4o h MET 218 N 0.30 0.94 -0.40 2.37 2.86 -2.01 -2.86 114.93 116.13 1a4o h MET 218 Ca 0.32 -0.21 -0.05 0.00 -2.06 0.00 0.00 59.70 57.71 1a4o h MET 218 Cb 0.47 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 1a4o h MET 218 CO -0.38 0.84 0.07 0.37 1.06 0.00 0.00 176.91 178.87 1a4o h GLN 219 N 0.86 0.66 -0.72 1.72 4.15 -1.92 -3.10 115.11 116.76 1a4o h GLN 219 Ca 0.19 -0.17 0.15 0.00 0.77 0.00 0.00 58.65 59.59 1a4o h GLN 219 Cb 0.30 -0.08 -0.13 0.00 0.21 0.00 0.00 27.48 27.78 1a4o h GLN 219 CO -0.00 0.70 -0.08 -0.07 -1.93 0.00 0.00 178.83 177.45 1a4o h LEU 220 N 0.51 -0.49 -0.05 -2.39 4.07 -1.10 0.59 115.31 116.45 1a4o h LEU 220 Ca 0.12 0.20 -0.11 0.00 0.08 0.00 0.00 57.88 58.17 1a4o h LEU 220 Cb 0.36 0.38 -0.02 0.00 1.08 0.00 0.00 40.66 42.47 1a4o h LEU 220 CO 0.01 -0.20 -0.52 0.17 -1.08 0.00 0.00 178.44 176.82 1a4o h LEU 221 N 0.05 0.00 0.40 1.67 -0.00 -1.58 -1.63 115.31 114.22 1a4o h LEU 221 Ca 0.37 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 58.23 1a4o h LEU 221 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.28 1a4o h LEU 221 CO -0.69 0.52 -0.19 -0.09 -0.00 0.00 0.00 178.44 177.99 1a4o h ARG 222 N 0.00 -0.52 -0.91 0.17 1.12 -0.92 -2.81 114.38 110.51 1a4o h ARG 222 Ca -0.01 0.04 0.15 0.00 -1.11 0.00 0.00 59.98 59.05 1a4o h ARG 222 Cb 1.38 0.12 -0.08 0.00 -0.01 0.00 0.00 29.97 31.38 1a4o h ARG 222 CO 0.07 -0.27 0.59 0.22 -3.11 0.00 0.00 179.97 177.46 1a4o h ASP 223 N -0.67 0.66 0.71 -3.80 1.82 0.05 0.24 116.42 115.43 1a4o h ASP 223 Ca -0.05 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 1a4o h ASP 223 Cb 0.49 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 40.41 1a4o h ASP 223 CO 0.09 0.32 0.00 0.59 -1.61 0.00 0.00 179.24 178.63 1a4o n ASN 224 N -4.58 0.46 -0.16 2.28 3.02 -0.61 -1.48 115.26 114.18 1a4o n ASN 224 Ca 0.18 0.61 0.13 0.00 -0.03 0.00 0.00 54.58 55.47 1a4o n ASN 224 Cb 0.50 -0.71 0.43 0.00 -0.61 0.00 0.00 39.78 39.40 1a4o n ASN 224 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1a4o n LEU 225 N -2.00 0.75 -0.10 3.41 7.99 0.84 -2.78 117.00 125.12 1a4o n LEU 225 Ca 0.03 -0.12 0.12 0.00 -0.01 0.00 0.00 56.01 56.03 1a4o n LEU 225 Cb 0.23 -0.17 0.30 0.00 -0.11 0.00 0.00 43.42 43.67 1a4o n LEU 225 CO 0.19 0.15 0.54 0.41 -1.51 0.00 0.00 177.39 177.16 1a4o n THR 226 N -0.89 0.00 -0.13 -5.08 -1.04 -0.55 -3.86 114.28 102.73 1a4o n THR 226 Ca 0.12 -0.05 -0.22 0.00 -2.04 0.00 0.00 64.05 61.85 1a4o n THR 226 Cb 0.33 0.31 -0.11 0.00 -1.82 0.00 0.00 70.33 69.03 1a4o n THR 226 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1a4o n LEU 227 N -1.15 2.65 0.00 -4.42 4.77 -1.20 -5.13 117.00 112.51 1a4o n LEU 227 Ca 0.08 0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1a4o n LEU 227 Cb 0.34 -0.88 0.00 0.00 -2.33 0.00 0.00 43.42 40.55 1a4o n LEU 227 CO 0.31 0.82 0.19 -2.67 -1.33 0.00 0.00 177.39 174.72