#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d5a n ARG 3 N 0.00 0.28 0.00 0.00 1.74 -1.26 -4.66 116.66 112.76 3d5a n ARG 3 Ca 0.00 0.11 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 3d5a n ARG 3 Cb 0.00 -1.71 0.00 0.00 -1.02 0.00 0.00 32.46 29.73 3d5a n ARG 3 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3d5a n ARG 4 N -2.13 0.00 -1.22 5.56 1.74 -1.26 -5.01 116.66 114.34 3d5a n ARG 4 Ca 0.04 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.89 3d5a n ARG 4 Cb 0.43 -0.02 0.17 0.00 -1.02 0.00 0.00 32.46 32.03 3d5a n ARG 4 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3d5a n ARG 5 N 0.00 -1.67 0.00 5.56 3.00 -1.26 -5.00 116.66 117.29 3d5a n ARG 5 Ca 0.00 -1.51 0.09 0.00 -0.01 0.00 0.00 57.85 56.42 3d5a n ARG 5 Cb 0.00 -1.15 0.01 0.00 0.00 0.00 0.00 32.46 31.31 3d5a n ARG 5 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 3d5a n ARG 6 N -3.56 1.50 -2.86 5.56 0.63 -1.26 -4.82 116.66 111.85 3d5a n ARG 6 Ca 0.13 -1.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.05 3d5a n ARG 6 Cb 0.45 -1.37 -0.01 0.00 0.45 0.00 0.00 32.46 31.98 3d5a n ARG 6 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3d5a n ALA 7 N 0.07 -2.85 -0.98 5.13 0.00 -1.26 -4.93 120.51 115.69 3d5a n ALA 7 Ca 0.08 0.73 -0.30 0.00 0.00 0.00 0.00 53.44 53.95 3d5a n ALA 7 Cb 0.41 -1.63 0.15 0.00 0.00 0.00 0.00 19.45 18.39 3d5a n ALA 7 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3d5a s GLU 8 N -1.06 1.12 0.24 0.00 2.02 -1.26 -4.97 118.70 114.79 3d5a s GLU 8 Ca -0.06 1.11 -0.30 0.00 0.02 0.00 0.00 54.97 55.74 3d5a s GLU 8 Cb 0.00 -1.77 -0.09 0.00 0.10 0.00 0.00 34.13 32.38 3d5a s GLU 8 CO 0.49 -2.42 1.10 0.08 0.02 0.00 0.00 175.26 174.53 3d5a s VAL 9 N -2.78 3.65 -0.47 2.63 1.01 -1.26 -4.96 120.40 118.22 3d5a s VAL 9 Ca 0.64 1.55 -0.28 0.00 0.00 0.00 0.00 61.98 63.90 3d5a s VAL 9 Cb -0.20 -3.99 -0.02 0.00 0.00 0.00 0.00 36.38 32.17 3d5a s VAL 9 CO 0.58 0.33 1.77 -0.60 0.00 0.00 0.00 175.10 177.18 3d5a s ARG 10 N -0.97 3.04 -0.56 2.72 3.52 -1.26 -4.93 118.95 120.52 3d5a s ARG 10 Ca 0.47 0.98 -0.27 0.00 -0.13 0.00 0.00 55.73 56.78 3d5a s ARG 10 Cb -0.31 -4.26 -0.02 0.00 -1.56 0.00 0.00 34.95 28.80 3d5a s ARG 10 CO 0.38 -2.22 1.79 -1.14 -0.81 0.00 0.00 175.30 173.30 3d5a s GLN 11 N 6.20 2.85 1.02 5.12 2.00 -1.26 -4.97 119.66 130.61 3d5a s GLN 11 Ca 0.71 0.73 -0.14 0.00 -2.00 0.00 0.00 55.36 54.67 3d5a s GLN 11 Cb -0.17 -4.32 0.20 0.00 0.80 0.00 0.00 33.01 29.52 3d5a s GLN 11 CO 0.27 -2.47 1.11 -0.48 -0.50 0.00 0.00 175.29 173.23 3d5a s LEU 12 N 8.27 1.53 -0.34 3.68 2.34 -1.26 -4.99 118.68 127.90 3d5a s LEU 12 Ca 0.67 0.99 -0.22 0.00 0.06 0.00 0.00 54.13 55.62 3d5a s LEU 12 Cb -0.14 -3.10 0.00 0.00 -0.56 0.00 0.00 46.19 42.39 3d5a s LEU 12 CO 0.24 -3.19 0.74 -1.58 -1.06 0.00 0.00 176.35 171.49 3d5a s GLN 13 N -5.15 3.80 0.69 1.48 0.74 -1.26 -5.02 119.66 114.93 3d5a s GLN 13 Ca 0.66 0.32 -0.17 0.00 0.05 0.00 0.00 55.36 56.22 3d5a s GLN 13 Cb -0.16 -3.78 -0.09 0.00 1.10 0.00 0.00 33.01 30.08 3d5a s GLN 13 CO 0.56 -0.76 0.15 -2.30 -0.55 0.00 0.00 175.29 172.39 3d5a n PRO 14 N 6.25 0.18 -1.47 1.67 -0.02 -1.26 -4.79 135.00 135.56 3d5a n PRO 14 Ca 0.02 0.08 -0.44 0.00 -2.02 0.00 0.00 63.50 61.14 3d5a n PRO 14 Cb 0.48 -1.46 -0.01 0.00 -0.02 0.00 0.00 33.50 32.49 3d5a n PRO 14 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3d5a n ASP 15 N 1.11 -0.49 -1.75 2.55 4.64 -0.85 -4.73 116.55 117.03 3d5a n ASP 15 Ca 0.08 1.04 0.07 0.00 -1.38 0.00 0.00 54.79 54.60 3d5a n ASP 15 Cb 0.50 -1.10 0.39 0.00 -1.04 0.00 0.00 41.12 39.86 3d5a n ASP 15 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 3d5a n LEU 16 N 1.53 5.47 0.00 -2.67 4.77 -1.26 -2.95 117.00 121.89 3d5a n LEU 16 Ca 0.13 -2.93 0.00 0.00 -0.03 0.00 0.00 56.01 53.18 3d5a n LEU 16 Cb 0.33 -0.66 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 3d5a n LEU 16 CO 0.57 0.64 0.00 0.52 -1.33 0.00 0.00 177.39 177.79 3d5a n VAL 17 N 0.49 0.00 -0.02 4.08 0.31 -1.26 -4.93 118.33 117.00 3d5a n VAL 17 Ca 0.27 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.60 3d5a n VAL 17 Cb 1.15 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 34.02 3d5a n VAL 17 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3d5a n TYR 18 N -1.17 0.00 -1.51 3.52 4.02 -1.26 -5.06 117.16 115.71 3d5a n TYR 18 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3d5a n TYR 18 Cb 0.00 -0.28 0.00 0.00 -0.02 0.00 0.00 39.34 39.04 3d5a n TYR 18 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3d5a n GLY 19 N 2.25 0.53 3.11 2.72 0.00 -1.15 -4.98 105.19 107.66 3d5a n GLY 19 Ca -0.07 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.46 3d5a n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3d5a s ASP 20 N -2.61 0.08 0.20 1.61 -1.08 -1.26 -4.66 116.67 108.95 3d5a s ASP 20 Ca 0.00 0.74 -0.11 0.00 -0.52 0.00 0.00 52.55 52.67 3d5a s ASP 20 Cb 0.00 0.92 0.23 0.00 -1.46 0.00 0.00 42.92 42.61 3d5a s ASP 20 CO 0.00 -0.23 1.77 -0.37 0.52 0.00 0.00 175.17 176.85 3d5a h VAL 21 N 6.20 0.85 -1.03 1.11 -1.51 -1.88 -2.02 116.25 117.98 3d5a h VAL 21 Ca -0.17 -0.16 0.26 0.00 -1.23 0.00 0.00 66.70 65.40 3d5a h VAL 21 Cb 1.12 0.34 -0.10 0.00 -2.13 0.00 0.00 31.29 30.52 3d5a h VAL 21 CO 0.14 0.09 0.65 0.25 -1.23 0.00 0.00 177.57 177.47 3d5a h LEU 22 N 0.47 0.49 0.22 4.19 5.85 -1.96 0.12 115.31 124.68 3d5a h LEU 22 Ca 0.28 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 59.08 3d5a h LEU 22 Cb 0.28 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.32 3d5a h LEU 22 CO -0.24 0.10 -0.11 0.58 -0.34 0.00 0.00 178.44 178.43 3d5a h VAL 23 N 0.44 0.86 -0.25 1.05 2.07 -1.81 -1.13 116.25 117.46 3d5a h VAL 23 Ca 0.59 -0.61 -0.04 0.00 0.82 0.00 0.00 66.70 67.46 3d5a h VAL 23 Cb 1.43 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 3d5a h VAL 23 CO -0.32 0.13 -0.01 0.71 0.02 0.00 0.00 177.57 178.10 3d5a h THR 24 N -0.61 1.16 -0.47 2.57 1.35 -1.39 -1.96 112.91 113.55 3d5a h THR 24 Ca -0.03 -0.64 0.02 0.00 -0.55 0.00 0.00 66.41 65.20 3d5a h THR 24 Cb 0.44 0.99 -0.03 0.00 -1.73 0.00 0.00 68.15 67.83 3d5a h THR 24 CO 0.05 0.22 0.29 0.00 -0.25 0.00 0.00 175.52 175.83 3d5a h ALA 25 N 1.63 0.60 -0.76 6.62 0.00 -0.65 -1.55 119.26 125.16 3d5a h ALA 25 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3d5a h ALA 25 Cb 0.27 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 3d5a h ALA 25 CO 0.01 0.00 0.48 0.35 0.00 0.00 0.00 179.25 180.09 3d5a h PHE 26 N 0.59 0.98 -0.76 0.00 3.57 -0.49 -1.38 116.94 119.45 3d5a h PHE 26 Ca 0.18 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.74 3d5a h PHE 26 Cb -0.02 -0.33 -0.05 0.00 2.79 0.00 0.00 35.95 38.35 3d5a h PHE 26 CO -0.06 0.64 0.47 0.82 -2.23 0.00 0.00 178.31 177.95 3d5a h ILE 27 N 1.04 1.07 -1.00 1.41 1.08 -0.65 -2.01 117.51 118.45 3d5a h ILE 27 Ca 0.27 -0.31 0.02 0.00 -0.39 0.00 0.00 64.86 64.45 3d5a h ILE 27 Cb -0.07 0.10 -0.05 0.00 -3.07 0.00 0.00 36.82 33.72 3d5a h ILE 27 CO -0.05 0.16 0.66 0.78 -0.69 0.00 0.00 178.15 179.01 3d5a h ASN 28 N 0.90 1.14 -0.54 1.72 2.35 -0.33 0.39 115.58 121.21 3d5a h ASN 28 Ca 0.32 -0.03 -0.07 0.00 -0.55 0.00 0.00 56.30 55.97 3d5a h ASN 28 Cb 0.07 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 3d5a h ASN 28 CO -0.13 0.81 0.08 0.11 -1.65 0.00 0.00 177.43 176.65 3d5a h LYS 29 N 1.34 0.95 0.00 0.81 1.79 -1.17 -2.16 116.57 118.12 3d5a h LYS 29 Ca 0.37 -0.24 -0.08 0.00 -2.18 0.00 0.00 60.65 58.52 3d5a h LYS 29 Cb -0.13 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.39 3d5a h LYS 29 CO -0.09 0.89 -0.40 0.82 -1.08 0.00 0.00 179.45 179.59 3d5a h ILE 30 N 0.89 1.22 -2.01 1.86 1.08 -0.46 -3.44 117.51 116.65 3d5a h ILE 30 Ca 0.18 -1.42 -0.59 0.00 -0.39 0.00 0.00 64.86 62.64 3d5a h ILE 30 Cb 0.42 1.78 0.01 0.00 -3.07 0.00 0.00 36.82 35.96 3d5a h ILE 30 CO 0.01 0.40 1.26 0.80 -0.69 0.00 0.00 178.15 179.93 3d5a n MET 31 N -3.95 2.21 -4.55 2.37 1.56 0.12 -4.92 117.12 109.96 3d5a n MET 31 Ca -0.02 0.76 -0.33 0.00 -0.27 0.00 0.00 57.70 57.84 3d5a n MET 31 Cb 0.45 -2.86 -0.14 0.00 2.15 0.00 0.00 33.22 32.81 3d5a n MET 31 CO 0.00 0.00 0.00 1.03 -0.73 0.00 0.00 175.97 176.27 3d5a s ARG 32 N 4.94 3.40 -1.61 2.12 0.52 -1.26 -4.64 118.95 122.41 3d5a s ARG 32 Ca 0.95 -0.66 -0.02 0.00 -0.52 0.00 0.00 55.73 55.48 3d5a s ARG 32 Cb -0.56 -2.73 0.00 0.00 0.52 0.00 0.00 34.95 32.19 3d5a s ARG 32 CO 0.45 0.13 0.20 -0.25 0.02 0.00 0.00 175.30 175.84 3d5a n ASP 33 N 3.79 -5.65 -2.50 0.23 8.00 -1.26 -2.95 116.55 116.21 3d5a n ASP 33 Ca -0.18 -0.08 -0.15 0.00 0.71 0.00 0.00 54.79 55.09 3d5a n ASP 33 Cb 0.52 -4.67 0.05 0.00 -0.02 0.00 0.00 41.12 37.01 3d5a n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3d5a n GLY 34 N -1.14 -0.02 2.76 0.44 0.00 -1.26 -4.98 105.19 100.98 3d5a n GLY 34 Ca -0.19 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 3d5a n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3d5a n LYS 35 N -3.33 3.12 0.12 1.61 5.02 -1.15 -4.93 118.16 118.62 3d5a n LYS 35 Ca -0.03 -4.60 -0.07 0.00 -2.02 0.00 0.00 58.31 51.59 3d5a n LYS 35 Cb 0.55 -2.37 -0.04 0.00 -0.02 0.00 0.00 35.03 33.16 3d5a n LYS 35 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3d5a h LYS 36 N 4.97 -0.39 -1.06 1.97 3.64 -1.93 -2.46 116.57 121.30 3d5a h LYS 36 Ca 0.19 0.03 0.34 0.00 -1.27 0.00 0.00 60.65 59.93 3d5a h LYS 36 Cb 0.68 0.09 -0.14 0.00 -0.41 0.00 0.00 32.23 32.45 3d5a h LYS 36 CO 0.99 -0.26 0.63 -0.91 -2.27 0.00 0.00 179.45 177.63 3d5a h ASN 37 N -0.41 0.46 0.61 4.20 2.35 -1.99 0.17 115.58 120.98 3d5a h ASN 37 Ca -0.03 0.17 -0.03 0.00 -0.55 0.00 0.00 56.30 55.86 3d5a h ASN 37 Cb 0.35 0.12 0.01 0.00 0.05 0.00 0.00 38.32 38.85 3d5a h ASN 37 CO -0.02 -0.12 -0.30 0.25 -1.65 0.00 0.00 177.43 175.60 3d5a h LEU 38 N 0.29 -0.70 -0.80 1.61 5.85 -1.93 -2.36 115.31 117.27 3d5a h LEU 38 Ca 0.73 0.02 0.15 0.00 0.84 0.00 0.00 57.88 59.63 3d5a h LEU 38 Cb 1.81 0.18 -0.10 0.00 0.37 0.00 0.00 40.66 42.92 3d5a h LEU 38 CO -0.54 -0.48 0.35 0.00 -0.34 0.00 0.00 178.44 177.43 3d5a h ALA 39 N -1.59 1.17 -0.24 1.25 0.00 -0.65 -0.68 119.26 118.52 3d5a h ALA 39 Ca -0.08 0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.00 3d5a h ALA 39 Cb 0.63 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.42 3d5a h ALA 39 CO 0.14 -0.20 -0.31 0.00 0.00 0.00 0.00 179.25 178.88 3d5a h ALA 40 N 1.58 -0.28 0.14 0.00 0.00 -0.70 0.13 119.26 120.13 3d5a h ALA 40 Ca 0.45 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.43 3d5a h ALA 40 Cb 0.70 0.63 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 3d5a h ALA 40 CO -0.41 -0.76 -0.22 -0.09 0.00 0.00 0.00 179.25 177.77 3d5a h ARG 41 N -0.33 -0.41 -0.84 0.00 2.43 -0.66 -0.98 114.38 113.59 3d5a h ARG 41 Ca 0.13 0.03 0.22 0.00 -0.81 0.00 0.00 59.98 59.54 3d5a h ARG 41 Cb 0.53 0.09 -0.14 0.00 -0.42 0.00 0.00 29.97 30.03 3d5a h ARG 41 CO -0.42 -0.27 0.16 0.82 -1.51 0.00 0.00 179.97 178.75 3d5a h ILE 42 N -0.43 0.32 0.47 1.20 2.04 -0.38 0.77 117.51 121.50 3d5a h ILE 42 Ca 0.02 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 3d5a h ILE 42 Cb 0.44 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 3d5a h ILE 42 CO -0.11 0.03 -0.23 0.15 0.00 0.00 0.00 178.15 178.00 3d5a h PHE 43 N 0.18 -0.59 -0.48 1.37 3.57 -0.11 -2.53 116.94 118.35 3d5a h PHE 43 Ca 0.51 -0.01 0.12 0.00 3.53 0.00 0.00 57.97 62.12 3d5a h PHE 43 Cb 0.99 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.90 3d5a h PHE 43 CO -0.32 -0.28 0.34 1.88 -2.23 0.00 0.00 178.31 177.70 3d5a h TYR 44 N -0.84 0.12 -0.38 0.41 -1.99 0.01 0.17 116.97 114.46 3d5a h TYR 44 Ca -0.06 0.00 0.04 0.00 2.00 0.00 0.00 58.73 60.71 3d5a h TYR 44 Cb 0.57 -0.04 -0.04 0.00 2.00 0.00 0.00 36.73 39.23 3d5a h TYR 44 CO -0.00 0.05 0.16 -0.44 -0.00 0.00 0.00 178.16 177.93 3d5a h ASP 45 N 0.11 0.21 0.09 3.88 3.45 0.88 -1.74 116.42 123.30 3d5a h ASP 45 Ca 0.23 0.03 -0.12 0.00 0.43 0.00 0.00 57.03 57.60 3d5a h ASP 45 Cb 0.75 -0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.51 3d5a h ASP 45 CO -0.03 0.16 -0.39 0.00 -1.57 0.00 0.00 179.24 177.41 3d5a h ALA 46 N 1.23 1.00 -0.72 3.45 0.00 -0.63 -2.89 119.26 120.69 3d5a h ALA 46 Ca 0.17 -0.42 0.10 0.00 0.00 0.00 0.00 54.91 54.76 3d5a h ALA 46 Cb 0.12 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 3d5a h ALA 46 CO -0.15 0.61 0.47 0.00 0.00 0.00 0.00 179.25 180.19 3d5a h LYS 48 N 0.60 0.00 0.00 0.00 1.79 -1.28 -3.00 116.57 114.68 3d5a h LYS 48 Ca 0.33 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.73 3d5a h LYS 48 Cb 0.49 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.13 3d5a h LYS 48 CO -0.11 0.71 -0.35 0.82 -1.08 0.00 0.00 179.45 179.43 3d5a h ILE 49 N 0.00 0.89 0.41 1.86 1.08 -0.88 -1.32 117.51 119.55 3d5a h ILE 49 Ca -0.03 -1.39 -0.02 0.00 -0.39 0.00 0.00 64.86 63.03 3d5a h ILE 49 Cb 1.60 1.84 0.00 0.00 -3.07 0.00 0.00 36.82 37.19 3d5a h ILE 49 CO 0.09 0.34 -0.22 0.40 -0.69 0.00 0.00 178.15 178.08 3d5a h ILE 50 N 0.00 0.55 0.00 -0.67 1.08 -0.58 -0.98 117.51 116.92 3d5a h ILE 50 Ca -0.00 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.42 3d5a h ILE 50 Cb 0.81 0.55 -0.01 0.00 -3.07 0.00 0.00 36.82 35.11 3d5a h ILE 50 CO 0.05 0.00 -0.20 1.56 -0.69 0.00 0.00 178.15 178.86 3d5a h GLN 51 N -0.58 0.00 -0.00 2.37 4.20 -1.48 0.04 115.11 119.66 3d5a h GLN 51 Ca -0.05 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 3d5a h GLN 51 Cb 0.46 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.24 3d5a h GLN 51 CO 0.07 0.20 0.00 0.93 -0.67 0.00 0.00 178.83 179.37 3d5a h GLU 52 N 0.00 0.01 0.26 1.46 4.39 -0.82 -3.34 114.58 116.53 3d5a h GLU 52 Ca -0.00 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.68 3d5a h GLU 52 Cb 0.50 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 3d5a h GLU 52 CO 0.03 0.17 -0.12 0.87 -1.16 0.00 0.00 179.01 178.80 3d5a h LYS 53 N -0.16 -0.33 -6.51 2.33 1.79 -0.85 -3.45 116.57 109.38 3d5a h LYS 53 Ca 0.00 0.02 -0.69 0.00 -2.18 0.00 0.00 60.65 57.80 3d5a h LYS 53 Cb 0.17 0.08 -0.24 0.00 -1.58 0.00 0.00 32.23 30.65 3d5a h LYS 53 CO -0.00 -0.22 -0.81 -0.08 -1.08 0.00 0.00 179.45 177.26 3d5a s THR 54 N -2.88 2.72 -0.11 -0.16 -1.32 -0.03 -5.01 115.64 108.85 3d5a s THR 54 Ca -0.05 -1.04 -0.04 0.00 -1.21 0.00 0.00 61.69 59.35 3d5a s THR 54 Cb 0.01 -2.08 -0.16 0.00 -1.51 0.00 0.00 72.50 68.75 3d5a s THR 54 CO 0.15 0.46 2.49 0.61 -2.21 0.00 0.00 174.62 176.12 3d5a n GLY 55 N 1.95 2.40 3.50 6.08 0.00 -1.25 -3.29 105.19 114.57 3d5a n GLY 55 Ca -0.16 -0.80 -0.31 0.00 0.00 0.00 0.00 46.02 44.75 3d5a n GLY 55 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3d5a s GLN 56 N 1.87 2.13 -0.11 1.61 -1.52 -1.26 -5.05 119.66 117.33 3d5a s GLN 56 Ca 0.43 -0.96 -0.29 0.00 -1.95 0.00 0.00 55.36 52.59 3d5a s GLN 56 Cb 0.20 -2.25 -0.05 0.00 -0.22 0.00 0.00 33.01 30.68 3d5a s GLN 56 CO -0.00 0.54 1.81 -1.83 -0.25 0.00 0.00 175.29 175.55 3d5a s GLU 57 N -1.63 3.88 0.65 2.91 -1.05 -1.26 -4.11 118.70 118.09 3d5a s GLU 57 Ca 0.16 2.09 0.23 0.00 -0.15 0.00 0.00 54.97 57.30 3d5a s GLU 57 Cb -0.11 -4.11 1.19 0.00 -0.44 0.00 0.00 34.13 30.67 3d5a s GLU 57 CO 0.07 -1.22 1.67 -1.00 0.95 0.00 0.00 175.26 175.73 3d5a h PRO 58 N 11.06 0.00 0.33 -4.83 0.13 -1.95 -1.93 132.00 134.80 3d5a h PRO 58 Ca -0.40 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.71 3d5a h PRO 58 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 3d5a h PRO 58 CO 0.97 0.00 -0.16 1.25 -0.23 0.00 0.00 178.00 179.83 3d5a h LEU 59 N 0.00 -0.37 -2.09 1.56 5.85 -1.95 -1.89 115.31 116.43 3d5a h LEU 59 Ca 0.06 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3d5a h LEU 59 Cb 1.18 0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.31 3d5a h LEU 59 CO -0.00 -0.25 0.00 0.50 -0.34 0.00 0.00 178.44 178.35 3d5a h LYS 60 N -0.47 0.00 -0.23 1.25 1.63 -1.76 -1.37 116.57 115.62 3d5a h LYS 60 Ca -0.04 0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 59.59 3d5a h LYS 60 Cb 0.34 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.97 3d5a h LYS 60 CO 0.07 0.00 -0.49 0.28 -3.45 0.00 0.00 179.45 175.86 3d5a h VAL 61 N 0.00 1.30 -0.50 2.00 2.07 -1.47 -1.90 116.25 117.74 3d5a h VAL 61 Ca 0.00 -1.70 -0.05 0.00 0.82 0.00 0.00 66.70 65.77 3d5a h VAL 61 Cb 0.29 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 3d5a h VAL 61 CO 0.00 0.54 0.11 0.15 0.02 0.00 0.00 177.57 178.39 3d5a h PHE 62 N 0.46 0.86 0.59 1.57 3.57 -0.41 0.76 116.94 124.33 3d5a h PHE 62 Ca 0.00 -0.11 -0.02 0.00 3.53 0.00 0.00 57.97 61.37 3d5a h PHE 62 Cb 1.10 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 39.59 3d5a h PHE 62 CO 0.08 0.77 -0.44 0.87 -2.23 0.00 0.00 178.31 177.36 3d5a h LYS 63 N 0.70 -0.96 -0.92 1.11 6.56 -1.43 0.26 116.57 121.90 3d5a h LYS 63 Ca 0.16 0.07 0.18 0.00 -1.06 0.00 0.00 60.65 59.99 3d5a h LYS 63 Cb 0.35 0.22 -0.10 0.00 -0.57 0.00 0.00 32.23 32.12 3d5a h LYS 63 CO 0.00 -0.64 0.51 0.37 -2.06 0.00 0.00 179.45 177.63 3d5a h GLN 64 N -0.99 0.63 0.60 3.15 5.75 -1.29 0.59 115.11 123.55 3d5a h GLN 64 Ca -0.08 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.35 3d5a h GLN 64 Cb 0.82 -0.14 0.01 0.00 1.07 0.00 0.00 27.48 29.23 3d5a h GLN 64 CO 0.03 0.42 -0.29 0.00 -2.65 0.00 0.00 178.83 176.34 3d5a h ALA 65 N 1.62 -1.18 -0.87 3.38 0.00 -0.51 -2.31 119.26 119.39 3d5a h ALA 65 Ca 0.53 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 55.33 3d5a h ALA 65 Cb 0.82 0.31 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 3d5a h ALA 65 CO -0.40 -1.12 0.54 0.28 0.00 0.00 0.00 179.25 178.56 3d5a h VAL 66 N -0.83 1.04 -0.27 0.00 2.07 0.10 -1.91 116.25 116.45 3d5a h VAL 66 Ca -0.08 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 3d5a h VAL 66 Cb 0.62 -0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.34 3d5a h VAL 66 CO 0.14 0.18 0.11 -0.08 0.02 0.00 0.00 177.57 177.93 3d5a h GLU 67 N 0.98 0.37 -0.00 1.57 4.57 0.16 -1.28 114.58 120.95 3d5a h GLU 67 Ca 0.38 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.52 3d5a h GLU 67 Cb 0.18 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 3d5a h GLU 67 CO -0.18 0.31 -0.10 0.09 -1.18 0.00 0.00 179.01 177.95 3d5a n ASN 68 N -4.43 0.14 -1.38 1.04 3.02 -0.74 -3.19 115.26 109.72 3d5a n ASN 68 Ca 0.01 0.19 -0.09 0.00 -0.03 0.00 0.00 54.58 54.66 3d5a n ASN 68 Cb 0.13 -0.30 0.17 0.00 -0.61 0.00 0.00 39.78 39.17 3d5a n ASN 68 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3d5a n VAL 69 N -1.43 2.65 -3.44 2.41 0.31 -0.49 -4.88 118.33 113.46 3d5a n VAL 69 Ca 0.08 -2.92 -0.44 0.00 -0.01 0.00 0.00 64.34 61.06 3d5a n VAL 69 Cb 0.32 -0.47 -0.05 0.00 -0.91 0.00 0.00 33.84 32.73 3d5a n VAL 69 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3d5a s LYS 70 N -3.34 3.03 -0.32 5.55 2.20 -1.15 -3.98 119.74 121.72 3d5a s LYS 70 Ca 0.47 -2.15 -0.35 0.00 -0.36 0.00 0.00 55.97 53.58 3d5a s LYS 70 Cb 0.42 -4.16 -0.11 0.00 -1.51 0.00 0.00 37.83 32.46 3d5a s LYS 70 CO 0.00 -1.26 2.16 -0.35 -0.36 0.00 0.00 175.35 175.54 3d5a n PRO 71 N 4.38 1.18 -0.07 4.03 -0.04 -1.26 -4.86 135.00 138.36 3d5a n PRO 71 Ca 0.02 0.33 -0.14 0.00 -0.04 0.00 0.00 63.50 63.68 3d5a n PRO 71 Cb 0.42 -2.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.33 3d5a n PRO 71 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3d5a h ARG 72 N 12.14 0.52 -3.94 0.54 2.43 -1.96 -3.43 114.38 120.68 3d5a h ARG 72 Ca -0.30 -0.29 -0.22 0.00 -0.81 0.00 0.00 59.98 58.36 3d5a h ARG 72 Cb 1.31 0.02 -0.25 0.00 -0.42 0.00 0.00 29.97 30.64 3d5a h ARG 72 CO 1.01 0.88 -0.72 -1.64 -1.51 0.00 0.00 179.97 178.00 3d5a s MET 73 N -4.23 0.20 0.35 0.20 -1.94 -1.26 -3.24 119.30 109.37 3d5a s MET 73 Ca -0.13 -0.32 0.03 0.00 -1.71 0.00 0.00 55.69 53.56 3d5a s MET 73 Cb 0.07 -0.01 -0.04 0.00 2.01 0.00 0.00 34.83 36.86 3d5a s MET 73 CO 0.79 -0.01 0.12 -1.83 -0.01 0.00 0.00 175.02 174.09 3d5a s GLU 74 N -0.73 1.73 -0.16 2.03 -1.05 -0.92 -4.24 118.70 115.37 3d5a s GLU 74 Ca -0.07 -2.01 -0.03 0.00 -0.15 0.00 0.00 54.97 52.71 3d5a s GLU 74 Cb -0.05 -0.46 -0.02 0.00 -0.44 0.00 0.00 34.13 33.16 3d5a s GLU 74 CO -0.00 -0.40 -0.06 0.14 0.95 0.00 0.00 175.26 175.88 3d5a s VAL 75 N -3.40 3.61 0.26 1.83 -7.23 -1.26 -1.46 120.40 112.75 3d5a s VAL 75 Ca 0.31 -0.46 0.11 0.00 -1.81 0.00 0.00 61.98 60.14 3d5a s VAL 75 Cb 0.05 -2.57 -0.05 0.00 0.56 0.00 0.00 36.38 34.37 3d5a s VAL 75 CO 0.16 0.49 -0.15 -0.13 -0.31 0.00 0.00 175.10 175.16 3d5a s ARG 76 N 0.49 1.85 -0.11 4.82 0.52 0.12 -4.94 118.95 121.70 3d5a s ARG 76 Ca -0.05 -1.63 -0.09 0.00 -0.52 0.00 0.00 55.73 53.44 3d5a s ARG 76 Cb -0.15 -1.90 -0.04 0.00 0.52 0.00 0.00 34.95 33.38 3d5a s ARG 76 CO 0.03 0.35 0.19 -1.12 0.02 0.00 0.00 175.30 174.77 3d5a s SER 77 N -3.45 6.44 0.00 0.23 0.01 -1.26 -1.38 113.70 114.30 3d5a s SER 77 Ca 0.29 0.53 -0.11 0.00 1.31 0.00 0.00 55.95 57.97 3d5a s SER 77 Cb -0.06 -2.10 0.01 0.00 0.21 0.00 0.00 66.02 64.08 3d5a s SER 77 CO 0.16 0.37 0.23 -0.60 0.41 0.00 0.00 173.24 173.80 3d5a s ARG 78 N -0.86 0.60 0.09 12.44 3.52 -1.19 -4.99 118.95 128.55 3d5a s ARG 78 Ca 0.16 -0.34 -0.05 0.00 -0.13 0.00 0.00 55.73 55.36 3d5a s ARG 78 Cb -0.13 0.26 -0.05 0.00 -1.56 0.00 0.00 34.95 33.47 3d5a s ARG 78 CO 0.05 -0.16 0.33 1.03 -0.81 0.00 0.00 175.30 175.74 3d5a s ARG 79 N -1.55 3.61 -0.42 5.12 1.81 -1.26 -1.90 118.95 124.35 3d5a s ARG 79 Ca -0.13 -0.09 0.06 0.00 -1.72 0.00 0.00 55.73 53.85 3d5a s ARG 79 Cb -0.06 -2.95 0.21 0.00 -0.45 0.00 0.00 34.95 31.70 3d5a s ARG 79 CO 0.02 0.54 0.50 1.33 -0.68 0.00 0.00 175.30 177.02 3d5a n VAL 80 N 0.49 -0.78 -0.98 3.52 0.24 0.02 -4.90 118.33 115.94 3d5a n VAL 80 Ca -0.06 -3.26 0.00 0.00 -2.04 0.00 0.00 64.34 58.98 3d5a n VAL 80 Cb 0.52 -1.24 0.00 0.00 -1.47 0.00 0.00 33.84 31.65 3d5a n VAL 80 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3d5a n GLY 81 N 2.14 0.48 0.00 7.63 0.00 -1.26 -3.83 105.19 110.35 3d5a n GLY 81 Ca 0.23 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3d5a n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d5a n GLY 82 N -2.98 1.03 3.11 -0.02 0.00 -1.26 -5.13 105.19 99.94 3d5a n GLY 82 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 3d5a n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d5a s ALA 83 N -1.75 1.16 -0.25 4.61 0.00 -1.25 -5.13 121.76 119.14 3d5a s ALA 83 Ca 0.00 -0.64 -0.11 0.00 0.00 0.00 0.00 51.96 51.21 3d5a s ALA 83 Cb 0.00 -0.27 -0.05 0.00 0.00 0.00 0.00 23.12 22.80 3d5a s ALA 83 CO 0.00 0.27 0.17 -0.80 0.00 0.00 0.00 175.76 175.40 3d5a s ASN 84 N -0.47 6.04 0.23 0.00 0.01 -1.26 -0.80 114.94 118.69 3d5a s ASN 84 Ca 0.05 0.06 0.06 0.00 -0.71 0.00 0.00 52.86 52.31 3d5a s ASN 84 Cb -0.06 -2.10 -0.03 0.00 0.41 0.00 0.00 41.25 39.47 3d5a s ASN 84 CO -0.00 0.02 0.27 -0.31 -1.51 0.00 0.00 177.10 175.57 3d5a s TYR 85 N 1.33 3.29 -1.12 2.20 4.12 -0.80 -4.95 117.35 121.42 3d5a s TYR 85 Ca 0.07 -0.05 -0.09 0.00 0.02 0.00 0.00 57.07 57.02 3d5a s TYR 85 Cb -0.14 -1.50 0.28 0.00 -1.52 0.00 0.00 41.96 39.07 3d5a s TYR 85 CO 0.07 0.48 1.12 1.04 0.02 0.00 0.00 175.55 178.28 3d5a n GLN 86 N -1.19 3.55 -2.99 -0.62 1.13 -1.26 -3.18 117.38 112.81 3d5a n GLN 86 Ca -0.08 -4.46 -0.41 0.00 -1.94 0.00 0.00 57.00 50.11 3d5a n GLN 86 Cb 0.57 -2.55 -0.05 0.00 0.11 0.00 0.00 30.24 28.33 3d5a n GLN 86 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3d5a s VAL 87 N -1.30 4.97 0.12 5.09 1.01 -0.48 -4.78 120.40 125.03 3d5a s VAL 87 Ca 0.31 1.48 -0.01 0.00 0.00 0.00 0.00 61.98 63.76 3d5a s VAL 87 Cb -0.10 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 3d5a s VAL 87 CO -0.08 0.12 0.29 -2.16 0.00 0.00 0.00 175.10 173.27 3d5a s PRO 88 N 1.63 3.49 0.00 2.72 0.04 -1.26 0.14 135.00 141.76 3d5a s PRO 88 Ca 0.36 -0.39 0.00 0.00 0.04 0.00 0.00 61.00 61.01 3d5a s PRO 88 Cb -0.17 -2.96 0.00 0.00 0.04 0.00 0.00 34.50 31.42 3d5a s PRO 88 CO 0.14 0.53 0.00 0.00 0.04 0.00 0.00 177.00 177.71 3d5a n MET 89 N -0.07 0.00 -0.73 4.56 0.00 -0.54 -4.75 117.12 115.59 3d5a n MET 89 Ca -0.05 0.00 -0.32 0.00 0.00 0.00 0.00 57.70 57.33 3d5a n MET 89 Cb 0.52 0.00 0.15 0.00 0.00 0.00 0.00 33.22 33.89 3d5a n MET 89 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 175.97 176.36 3d5a n GLU 90 N -0.02 -0.65 -3.73 3.17 4.71 -1.26 -2.16 120.64 120.71 3d5a n GLU 90 Ca 0.00 -0.15 -0.25 0.00 -0.01 0.00 0.00 57.16 56.75 3d5a n GLU 90 Cb 0.00 -1.95 0.01 0.00 -1.01 0.00 0.00 31.44 28.49 3d5a n GLU 90 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 3d5a s VAL 91 N -2.42 1.62 0.02 2.62 1.01 -1.20 -4.72 120.40 117.32 3d5a s VAL 91 Ca 0.59 -1.39 -0.17 0.00 0.00 0.00 0.00 61.98 61.00 3d5a s VAL 91 Cb -0.20 -2.01 -0.06 0.00 0.00 0.00 0.00 36.38 34.11 3d5a s VAL 91 CO 0.65 0.00 0.50 -0.55 0.00 0.00 0.00 175.10 175.70 3d5a s SER 92 N -4.40 6.91 0.22 3.32 0.15 -1.26 -4.95 113.70 113.70 3d5a s SER 92 Ca 0.38 1.09 -0.08 0.00 0.70 0.00 0.00 55.95 58.03 3d5a s SER 92 Cb -0.03 -2.31 0.36 0.00 -1.71 0.00 0.00 66.02 62.33 3d5a s SER 92 CO 0.24 0.25 1.68 1.55 1.20 0.00 0.00 173.24 178.16 3d5a h PRO 93 N 4.94 0.19 -0.83 5.44 0.13 -1.99 0.31 132.00 140.20 3d5a h PRO 93 Ca -0.49 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 3d5a h PRO 93 Cb 1.21 -0.04 -0.04 0.00 0.13 0.00 0.00 31.00 32.26 3d5a h PRO 93 CO 0.64 0.13 0.48 0.00 -0.23 0.00 0.00 178.00 179.02 3d5a h ARG 94 N 0.20 1.15 0.05 0.86 3.08 -1.99 -1.59 114.38 116.13 3d5a h ARG 94 Ca 0.36 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 60.28 3d5a h ARG 94 Cb 0.58 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.40 3d5a h ARG 94 CO -0.50 0.83 -0.02 -0.09 -1.07 0.00 0.00 179.97 179.12 3d5a h ARG 95 N 1.15 -0.06 -0.75 0.04 2.43 -1.32 0.06 114.38 115.93 3d5a h ARG 95 Ca 0.30 0.00 0.14 0.00 -0.81 0.00 0.00 59.98 59.61 3d5a h ARG 95 Cb -0.00 0.01 -0.09 0.00 -0.42 0.00 0.00 29.97 29.47 3d5a h ARG 95 CO -0.05 0.18 0.31 1.96 -1.51 0.00 0.00 179.97 180.86 3d5a h GLN 96 N -0.30 0.45 -0.44 0.20 4.20 -0.33 0.29 115.11 119.18 3d5a h GLN 96 Ca -0.01 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.68 3d5a h GLN 96 Cb 0.27 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 3d5a h GLN 96 CO 0.01 0.30 0.28 0.37 -0.67 0.00 0.00 178.83 179.12 3d5a h GLN 97 N 0.47 0.59 0.73 1.46 4.15 -1.11 -1.39 115.11 120.01 3d5a h GLN 97 Ca 0.41 -0.04 -0.03 0.00 0.77 0.00 0.00 58.65 59.75 3d5a h GLN 97 Cb 0.60 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.16 3d5a h GLN 97 CO -0.39 0.41 -0.38 0.77 -1.93 0.00 0.00 178.83 177.32 3d5a h SER 98 N 0.59 -0.91 -0.35 -0.69 0.02 0.14 -2.21 113.55 110.14 3d5a h SER 98 Ca 0.16 0.04 0.06 0.00 -0.84 0.00 0.00 61.79 61.20 3d5a h SER 98 Cb -0.04 0.25 -0.05 0.00 0.14 0.00 0.00 62.40 62.70 3d5a h SER 98 CO -0.03 -0.62 0.04 -0.07 -1.14 0.00 0.00 176.83 175.00 3d5a h LEU 99 N -1.02 -0.05 0.00 5.07 3.38 -0.58 -0.65 115.31 121.46 3d5a h LEU 99 Ca -0.10 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3d5a h LEU 99 Cb 0.79 0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.65 3d5a h LEU 99 CO 0.14 0.01 0.00 0.00 0.09 0.00 0.00 178.44 178.68 3d5a n ALA 100 N -2.44 -0.14 -0.35 1.53 0.00 -0.53 0.63 120.51 119.21 3d5a n ALA 100 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.49 3d5a n ALA 100 Cb 0.17 0.20 0.11 0.00 0.00 0.00 0.00 19.45 19.93 3d5a n ALA 100 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3d5a h LEU 101 N 0.00 -1.01 0.56 0.00 3.38 -1.38 0.92 115.31 117.79 3d5a h LEU 101 Ca 0.00 0.30 -0.02 0.00 0.09 0.00 0.00 57.88 58.25 3d5a h LEU 101 Cb 0.00 0.63 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 3d5a h LEU 101 CO 0.00 -0.32 -0.51 -0.09 0.09 0.00 0.00 178.44 177.62 3d5a h ARG 102 N -0.00 -1.01 -0.63 1.13 2.43 -0.66 -2.53 114.38 113.10 3d5a h ARG 102 Ca 0.44 0.07 0.13 0.00 -0.81 0.00 0.00 59.98 59.81 3d5a h ARG 102 Cb 0.69 0.23 -0.10 0.00 -0.42 0.00 0.00 29.97 30.37 3d5a h ARG 102 CO -1.00 -0.68 0.06 -1.49 -1.51 0.00 0.00 179.97 175.36 3d5a h TRP 103 N -1.05 0.08 -0.83 2.20 6.55 0.16 -0.12 115.95 122.93 3d5a h TRP 103 Ca -0.07 0.04 0.21 0.00 0.95 0.00 0.00 58.89 60.02 3d5a h TRP 103 Cb 0.90 0.06 -0.13 0.00 -0.86 0.00 0.00 29.16 29.13 3d5a h TRP 103 CO -0.23 -0.12 0.18 -0.07 -1.05 0.00 0.00 178.44 177.16 3d5a h LEU 104 N 0.18 -0.06 -0.15 -4.49 -0.00 -0.49 0.50 115.31 110.78 3d5a h LEU 104 Ca 0.33 0.19 -0.02 0.00 -0.00 0.00 0.00 57.88 58.38 3d5a h LEU 104 Cb 0.54 0.27 -0.01 0.00 -0.00 0.00 0.00 40.66 41.46 3d5a h LEU 104 CO -0.49 -0.13 0.01 0.58 -0.00 0.00 0.00 178.44 178.40 3d5a h VAL 105 N 0.20 1.25 -0.16 1.22 2.07 -0.64 -1.64 116.25 118.54 3d5a h VAL 105 Ca 0.50 -0.81 0.03 0.00 0.82 0.00 0.00 66.70 67.24 3d5a h VAL 105 Cb 0.96 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 32.18 3d5a h VAL 105 CO -0.63 0.24 -0.03 1.56 0.02 0.00 0.00 177.57 178.73 3d5a h GLN 106 N 0.01 0.01 -0.61 1.57 4.20 -0.08 -1.28 115.11 118.93 3d5a h GLN 106 Ca 0.04 -0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.76 3d5a h GLN 106 Cb 0.36 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 3d5a h GLN 106 CO 0.01 0.00 0.40 0.00 -0.67 0.00 0.00 178.83 178.58 3d5a h ALA 107 N 1.15 1.57 -0.18 3.87 0.00 -0.12 0.11 119.26 125.66 3d5a h ALA 107 Ca 0.08 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3d5a h ALA 107 Cb 0.11 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3d5a h ALA 107 CO -0.16 0.40 -0.03 0.00 0.00 0.00 0.00 179.25 179.46 3d5a h ALA 108 N 1.62 1.62 -0.00 0.00 0.00 -0.42 -1.41 119.26 120.66 3d5a h ALA 108 Ca 0.22 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3d5a h ALA 108 Cb -0.09 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3d5a h ALA 108 CO -0.05 0.28 -0.10 0.09 0.00 0.00 0.00 179.25 179.47 3d5a n ASN 109 N -4.35 0.53 0.03 0.00 3.02 0.29 -3.37 115.26 111.40 3d5a n ASN 109 Ca -0.00 -0.66 -0.05 0.00 -0.03 0.00 0.00 54.58 53.83 3d5a n ASN 109 Cb 0.20 -0.06 -0.11 0.00 -0.61 0.00 0.00 39.78 39.21 3d5a n ASN 109 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 3d5a h GLN 110 N 0.66 0.00 -7.14 3.52 4.20 -0.31 -3.47 115.11 112.58 3d5a h GLN 110 Ca 0.00 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.19 3d5a h GLN 110 Cb 0.35 0.00 0.11 0.00 0.30 0.00 0.00 27.48 28.25 3d5a h GLN 110 CO 0.00 0.57 0.43 1.03 -0.67 0.00 0.00 178.83 180.19 3d5a s ARG 111 N -2.73 2.81 0.00 1.46 0.52 -1.16 -4.93 118.95 114.92 3d5a s ARG 111 Ca -0.02 1.68 0.31 0.00 -0.52 0.00 0.00 55.73 57.18 3d5a s ARG 111 Cb 0.09 -1.92 1.65 0.00 0.52 0.00 0.00 34.95 35.28 3d5a s ARG 111 CO 0.81 -1.30 2.11 -0.35 0.02 0.00 0.00 175.30 176.60 3d5a n PRO 112 N -1.98 0.62 -1.67 3.54 -0.04 -1.26 -4.91 135.00 129.29 3d5a n PRO 112 Ca 0.13 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.21 3d5a n PRO 112 Cb 0.50 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.52 3d5a n PRO 112 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3d5a n GLU 113 N -1.19 1.10 -0.00 0.54 -0.58 -1.26 -4.98 120.64 114.26 3d5a n GLU 113 Ca 0.17 0.42 -0.00 0.00 -0.42 0.00 0.00 57.16 57.33 3d5a n GLU 113 Cb 0.20 -2.35 -0.00 0.00 -0.57 0.00 0.00 31.44 28.72 3d5a n GLU 113 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3d5a h ARG 114 N 0.67 -0.02 -6.47 3.49 3.08 -1.99 -3.46 114.38 109.68 3d5a h ARG 114 Ca -0.50 0.00 -0.53 0.00 0.07 0.00 0.00 59.98 59.02 3d5a h ARG 114 Cb 1.35 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.39 3d5a h ARG 114 CO 0.53 -0.01 0.46 1.03 -1.07 0.00 0.00 179.97 180.90 3d5a s ARG 115 N -1.32 4.51 0.50 0.04 1.81 -1.26 -4.91 118.95 118.32 3d5a s ARG 115 Ca -0.00 1.60 0.26 0.00 -1.72 0.00 0.00 55.73 55.87 3d5a s ARG 115 Cb 0.00 -3.39 1.34 0.00 -0.45 0.00 0.00 34.95 32.45 3d5a s ARG 115 CO 0.01 -0.12 1.89 0.00 -0.68 0.00 0.00 175.30 176.40 3d5a h ALA 116 N 6.62 2.60 0.27 2.13 0.00 -1.97 -1.61 119.26 127.30 3d5a h ALA 116 Ca -0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3d5a h ALA 116 Cb 1.22 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 3d5a h ALA 116 CO 0.77 -0.86 -0.28 0.00 0.00 0.00 0.00 179.25 178.88 3d5a h ALA 117 N 1.59 -0.58 -0.19 0.00 0.00 -1.91 -0.33 119.26 117.85 3d5a h ALA 117 Ca 0.43 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 55.19 3d5a h ALA 117 Cb 1.47 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 19.66 3d5a h ALA 117 CO -0.07 -0.86 -0.14 -0.39 0.00 0.00 0.00 179.25 177.79 3d5a h VAL 118 N -0.58 1.20 0.12 0.00 -1.51 -1.67 -0.85 116.25 112.95 3d5a h VAL 118 Ca -0.01 -0.89 -0.01 0.00 -1.23 0.00 0.00 66.70 64.57 3d5a h VAL 118 Cb 0.54 1.22 0.00 0.00 -2.13 0.00 0.00 31.29 30.92 3d5a h VAL 118 CO -0.07 0.28 -0.06 0.03 -1.23 0.00 0.00 177.57 176.52 3d5a h ARG 119 N 0.29 -0.15 -0.38 5.19 3.08 -1.06 0.13 114.38 121.48 3d5a h ARG 119 Ca 0.06 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.15 3d5a h ARG 119 Cb 0.43 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.48 3d5a h ARG 119 CO 0.03 0.01 0.17 0.82 -1.07 0.00 0.00 179.97 179.92 3d5a h ILE 120 N -0.28 0.95 0.00 2.04 2.04 -0.82 -1.66 117.51 119.77 3d5a h ILE 120 Ca -0.02 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.72 3d5a h ILE 120 Cb 0.23 0.57 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 3d5a h ILE 120 CO 0.03 0.06 0.00 0.00 0.00 0.00 0.00 178.15 178.24 3d5a n ALA 121 N -2.30 -0.28 -0.32 1.87 0.00 -0.35 -0.90 120.51 118.23 3d5a n ALA 121 Ca 0.01 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.63 3d5a n ALA 121 Cb 0.11 0.11 0.37 0.00 0.00 0.00 0.00 19.45 20.03 3d5a n ALA 121 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3d5a h HIS 122 N 0.00 0.70 -0.68 0.00 3.86 -0.77 0.55 115.15 118.81 3d5a h HIS 122 Ca 0.00 0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.24 3d5a h HIS 122 Cb 0.00 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.28 3d5a h HIS 122 CO -0.04 -0.13 0.38 1.49 0.86 0.00 0.00 177.93 180.49 3d5a h GLU 123 N 0.34 0.94 -0.64 2.45 4.57 -1.18 -1.90 114.58 119.16 3d5a h GLU 123 Ca 0.63 -0.10 0.00 0.00 -1.18 0.00 0.00 59.36 58.71 3d5a h GLU 123 Cb 1.30 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 29.67 3d5a h GLU 123 CO -0.59 0.70 0.41 -0.07 -1.18 0.00 0.00 179.01 178.28 3d5a h LEU 124 N 0.92 0.74 0.43 1.64 3.38 0.20 0.49 115.31 123.12 3d5a h LEU 124 Ca 0.24 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.16 3d5a h LEU 124 Cb 0.03 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.59 3d5a h LEU 124 CO -0.04 0.55 -0.21 0.24 0.09 0.00 0.00 178.44 179.07 3d5a h MET 125 N 0.87 -0.56 -0.44 1.13 2.86 -0.71 -0.97 114.93 117.11 3d5a h MET 125 Ca 0.23 0.04 0.02 0.00 -2.06 0.00 0.00 59.70 57.93 3d5a h MET 125 Cb -0.08 0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 3d5a h MET 125 CO -0.05 -0.25 0.29 -0.44 1.06 0.00 0.00 176.91 177.53 3d5a h ASP 126 N -0.93 0.47 0.42 1.22 3.45 -1.26 -0.25 116.42 119.54 3d5a h ASP 126 Ca -0.06 -0.01 -0.02 0.00 0.43 0.00 0.00 57.03 57.37 3d5a h ASP 126 Cb 0.57 -0.11 0.00 0.00 -0.56 0.00 0.00 39.33 39.23 3d5a h ASP 126 CO 0.10 0.34 -0.20 0.00 -1.57 0.00 0.00 179.24 177.90 3d5a h ALA 127 N 1.73 -0.56 -0.71 3.45 0.00 -0.88 0.16 119.26 122.44 3d5a h ALA 127 Ca 0.17 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 54.97 3d5a h ALA 127 Cb 0.00 0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 3d5a h ALA 127 CO -0.04 -0.60 0.47 0.00 0.00 0.00 0.00 179.25 179.08 3d5a h ALA 128 N -0.72 1.75 0.84 0.00 0.00 -1.02 -2.78 119.26 117.34 3d5a h ALA 128 Ca -0.06 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3d5a h ALA 128 Cb 0.55 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.17 3d5a h ALA 128 CO 0.09 0.12 -0.43 1.49 0.00 0.00 0.00 179.25 180.53 3d5a h GLU 129 N 0.70 -1.12 0.00 0.00 4.81 -1.04 -3.43 114.58 114.51 3d5a h GLU 129 Ca 0.31 0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 3d5a h GLU 129 Cb 0.33 0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.96 3d5a h GLU 129 CO -0.11 -0.75 0.00 0.41 -0.73 0.00 0.00 179.01 177.84 3d5a n GLY 130 N -1.58 0.00 2.78 1.92 0.00 -0.89 -5.10 105.19 102.32 3d5a n GLY 130 Ca -0.14 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.84 3d5a n GLY 130 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3d5a s LYS 131 N 0.00 0.87 0.26 1.61 2.20 0.50 -5.03 119.74 120.14 3d5a s LYS 131 Ca 0.00 -0.81 0.11 0.00 -0.36 0.00 0.00 55.97 54.91 3d5a s LYS 131 Cb 0.00 -0.03 -0.05 0.00 -1.51 0.00 0.00 37.83 36.24 3d5a s LYS 131 CO 0.00 -1.08 -0.16 0.20 -0.36 0.00 0.00 175.35 173.95 3d5a s GLY 132 N 0.99 1.81 0.26 5.54 0.00 -1.14 -4.36 107.32 110.42 3d5a s GLY 132 Ca 0.27 -1.77 -0.01 0.00 0.00 0.00 0.00 44.72 43.21 3d5a s GLY 132 CO -0.07 -1.84 1.70 -1.33 0.00 0.00 0.00 173.10 171.56 3d5a h GLY 133 N 2.39 1.25 1.47 0.20 0.00 -1.89 0.11 103.07 106.59 3d5a h GLY 133 Ca -0.42 -0.11 -0.26 0.00 0.00 0.00 0.00 47.33 46.53 3d5a h GLY 133 CO 0.58 -0.20 -1.12 0.00 0.00 0.00 0.00 176.54 175.80 3d5a h ALA 134 N 1.64 0.18 -0.80 3.60 0.00 -1.90 -3.25 119.26 118.73 3d5a h ALA 134 Ca 0.47 -0.77 0.11 0.00 0.00 0.00 0.00 54.91 54.72 3d5a h ALA 134 Cb 0.82 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.59 3d5a h ALA 134 CO -0.49 0.81 0.52 0.28 0.00 0.00 0.00 179.25 180.37 3d5a h VAL 135 N 0.21 0.90 -0.09 0.00 2.07 -1.40 -0.44 116.25 117.51 3d5a h VAL 135 Ca -0.13 -0.23 -0.14 0.00 0.82 0.00 0.00 66.70 67.03 3d5a h VAL 135 Cb 1.79 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 3d5a h VAL 135 CO 0.20 0.12 -0.55 0.11 0.02 0.00 0.00 177.57 177.46 3d5a h LYS 136 N 0.66 0.26 0.00 1.57 1.57 -1.12 -1.95 116.57 117.56 3d5a h LYS 136 Ca 0.38 -0.17 -0.04 0.00 -1.87 0.00 0.00 60.65 58.95 3d5a h LYS 136 Cb 0.57 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 3d5a h LYS 136 CO -0.15 0.75 -0.20 0.87 -0.57 0.00 0.00 179.45 180.15 3d5a h LYS 137 N 0.20 0.00 0.15 3.15 1.57 -1.14 0.54 116.57 121.04 3d5a h LYS 137 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3d5a h LYS 137 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.35 3d5a h LYS 137 CO 0.09 0.20 -0.07 -0.22 -0.57 0.00 0.00 179.45 178.88 3d5a h LYS 138 N 0.00 -0.19 -0.77 3.15 3.64 -0.86 -1.76 116.57 119.78 3d5a h LYS 138 Ca -0.00 0.01 0.16 0.00 -1.27 0.00 0.00 60.65 59.55 3d5a h LYS 138 Cb 0.45 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.26 3d5a h LYS 138 CO 0.03 0.26 0.52 0.93 -2.27 0.00 0.00 179.45 178.92 3d5a h GLU 139 N -0.83 0.36 0.56 1.90 5.08 -1.19 -0.29 114.58 120.18 3d5a h GLU 139 Ca -0.02 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 3d5a h GLU 139 Cb 0.54 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.71 3d5a h GLU 139 CO 0.03 0.24 -0.27 0.22 -1.00 0.00 0.00 179.01 178.23 3d5a h ASP 140 N 0.37 -0.64 -0.75 1.42 3.58 -0.83 -2.58 116.42 116.99 3d5a h ASP 140 Ca 0.38 -0.03 0.01 0.00 0.42 0.00 0.00 57.03 57.81 3d5a h ASP 140 Cb 0.95 0.17 -0.04 0.00 1.72 0.00 0.00 39.33 42.13 3d5a h ASP 140 CO -0.12 -0.36 0.50 0.58 -2.88 0.00 0.00 179.24 176.96 3d5a h VAL 141 N -0.90 1.19 -0.54 2.25 2.07 -0.45 -2.48 116.25 117.39 3d5a h VAL 141 Ca -0.08 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 67.10 3d5a h VAL 141 Cb 0.63 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 3d5a h VAL 141 CO 0.13 0.19 0.36 -0.33 0.02 0.00 0.00 177.57 177.93 3d5a h GLU 142 N 1.02 0.68 -0.48 1.57 5.08 -1.08 -1.63 114.58 119.74 3d5a h GLU 142 Ca 0.28 -0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.66 3d5a h GLU 142 Cb -0.12 -0.15 -0.06 0.00 0.50 0.00 0.00 28.75 28.92 3d5a h GLU 142 CO -0.06 0.45 0.14 0.00 -1.00 0.00 0.00 179.01 178.55 3d5a h ARG 143 N 0.70 0.29 -0.76 2.33 3.08 -1.02 -1.50 114.38 117.51 3d5a h ARG 143 Ca 0.20 -0.02 0.15 0.00 0.07 0.00 0.00 59.98 60.38 3d5a h ARG 143 Cb -0.04 -0.07 -0.10 0.00 0.08 0.00 0.00 29.97 29.84 3d5a h ARG 143 CO -0.05 0.20 0.30 0.52 -1.07 0.00 0.00 179.97 179.86 3d5a h MET 144 N 0.30 0.41 0.00 0.04 2.86 -1.29 0.07 114.93 117.33 3d5a h MET 144 Ca 0.23 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.85 3d5a h MET 144 Cb 0.26 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.83 3d5a h MET 144 CO -0.26 0.27 0.00 0.00 1.06 0.00 0.00 176.91 177.98 3d5a n ALA 145 N -2.52 -0.25 0.31 6.32 0.00 -0.57 -1.53 120.51 122.27 3d5a n ALA 145 Ca 0.15 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.78 3d5a n ALA 145 Cb 0.44 0.20 0.94 0.00 0.00 0.00 0.00 19.45 21.02 3d5a n ALA 145 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3d5a h GLU 146 N 0.00 0.00 0.00 0.00 4.39 -1.48 -1.97 114.58 115.52 3d5a h GLU 146 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3d5a h GLU 146 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3d5a h GLU 146 CO 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.85 3d5a n ALA 147 N -2.04 -0.43 0.99 3.43 0.00 0.00 -2.80 120.51 119.66 3d5a n ALA 147 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3d5a n ALA 147 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.61 3d5a n ALA 147 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3d5a n ASN 148 N -1.83 2.37 0.22 0.00 4.13 -0.58 -4.20 115.26 115.37 3d5a n ASN 148 Ca 0.00 -1.98 0.18 0.00 1.68 0.00 0.00 54.58 54.45 3d5a n ASN 148 Cb 0.00 -0.50 0.85 0.00 -1.54 0.00 0.00 39.78 38.60 3d5a n ASN 148 CO 0.00 0.00 0.00 -0.09 0.28 0.00 0.00 177.26 177.45 3d5a h ARG 149 N 0.01 0.00 -0.27 3.52 2.43 -1.19 0.20 114.38 119.08 3d5a h ARG 149 Ca 0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 3d5a h ARG 149 Cb 0.84 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.38 3d5a h ARG 149 CO 0.00 0.00 0.09 0.00 -1.51 0.00 0.00 179.97 178.55 3d5a h ALA 150 N 1.71 1.65 -0.00 2.80 0.00 -1.83 -1.41 119.26 122.18 3d5a h ALA 150 Ca 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3d5a h ALA 150 Cb 0.53 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3d5a h ALA 150 CO -0.00 0.28 -0.02 0.66 0.00 0.00 0.00 179.25 180.16 3d5a n TYR 151 N -4.41 0.00 1.28 0.00 4.02 0.70 -3.78 117.16 114.97 3d5a n TYR 151 Ca 0.01 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 58.00 3d5a n TYR 151 Cb 0.14 -0.05 0.59 0.00 -0.02 0.00 0.00 39.34 40.01 3d5a n TYR 151 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3d5a n ALA 152 N -0.69 2.26 0.33 -0.72 0.00 -0.53 -3.03 120.51 118.12 3d5a n ALA 152 Ca 0.20 -0.13 0.22 0.00 0.00 0.00 0.00 53.44 53.74 3d5a n ALA 152 Cb 0.22 -1.33 1.13 0.00 0.00 0.00 0.00 19.45 19.47 3d5a n ALA 152 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 3d5a h HIS 153 N 0.00 0.00 -3.38 0.00 2.07 -1.77 -3.17 115.15 108.91 3d5a h HIS 153 Ca 0.00 0.00 -0.80 0.00 -2.85 0.00 0.00 60.37 56.72 3d5a h HIS 153 Cb 0.00 0.00 -0.28 0.00 2.57 0.00 0.00 27.41 29.70 3d5a h HIS 153 CO 0.00 0.00 0.55 0.66 -3.07 0.00 0.00 177.93 176.07 3d5a n TYR 154 N -3.07 4.44 1.17 6.12 0.53 -1.17 -4.81 117.16 120.37 3d5a n TYR 154 Ca -0.02 -3.55 0.13 0.00 -1.02 0.00 0.00 57.90 53.45 3d5a n TYR 154 Cb 0.11 -1.58 0.66 0.00 -1.03 0.00 0.00 39.34 37.49 3d5a n TYR 154 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38 3d5a n ARG 155 N 2.29 0.24 0.00 -0.72 1.74 -1.20 -4.96 116.66 114.05 3d5a n ARG 155 Ca 0.25 0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.35 3d5a n ARG 155 Cb 0.37 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.31 3d5a n ARG 155 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44