#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hhu s VAL 17 N 0.00 3.21 -0.15 2.62 1.01 -1.26 -4.39 120.40 121.45 3hhu s VAL 17 Ca 0.00 -0.57 -0.07 0.00 0.00 0.00 0.00 61.98 61.34 3hhu s VAL 17 Cb 0.00 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 3hhu s VAL 17 CO 0.00 0.47 0.10 -1.61 0.00 0.00 0.00 175.10 174.06 3hhu s GLU 18 N 0.98 3.65 -0.12 2.72 2.02 -0.69 -4.97 118.70 122.29 3hhu s GLU 18 Ca -0.01 -0.23 -0.01 0.00 0.02 0.00 0.00 54.97 54.74 3hhu s GLU 18 Cb -0.15 -3.19 -0.03 0.00 0.10 0.00 0.00 34.13 30.87 3hhu s GLU 18 CO -0.00 0.56 -0.07 0.99 0.02 0.00 0.00 175.26 176.76 3hhu s THR 19 N -0.42 3.66 0.11 3.63 2.01 -1.26 -0.82 115.64 122.55 3hhu s THR 19 Ca 0.11 -0.46 0.07 0.00 0.31 0.00 0.00 61.69 61.72 3hhu s THR 19 Cb -0.12 -2.55 -0.04 0.00 0.01 0.00 0.00 72.50 69.80 3hhu s THR 19 CO 0.02 0.54 -0.18 -0.36 -0.69 0.00 0.00 174.62 173.94 3hhu s PHE 20 N -0.04 1.64 0.00 4.92 0.40 0.40 -4.99 117.98 120.32 3hhu s PHE 20 Ca 0.00 -0.45 -0.20 0.00 -0.60 0.00 0.00 56.93 55.68 3hhu s PHE 20 Cb -0.13 -0.88 -0.06 0.00 0.51 0.00 0.00 43.02 42.46 3hhu s PHE 20 CO 0.03 0.19 0.58 0.00 0.70 0.00 0.00 175.22 176.73 3hhu s ALA 21 N -1.46 3.51 0.54 5.36 0.00 -1.26 -1.22 121.76 127.22 3hhu s ALA 21 Ca 0.07 0.02 -0.22 0.00 0.00 0.00 0.00 51.96 51.83 3hhu s ALA 21 Cb -0.09 -2.72 -0.05 0.00 0.00 0.00 0.00 23.12 20.27 3hhu s ALA 21 CO 0.04 0.20 1.37 -0.06 0.00 0.00 0.00 175.76 177.31 3hhu s PHE 22 N -0.33 2.30 0.44 0.00 0.08 -0.71 -4.94 117.98 114.82 3hhu s PHE 22 Ca 0.30 1.36 -0.25 0.00 0.12 0.00 0.00 56.93 58.46 3hhu s PHE 22 Cb -0.18 -3.82 -0.09 0.00 -0.57 0.00 0.00 43.02 38.35 3hhu s PHE 22 CO 0.17 -2.93 1.25 0.94 -0.10 0.00 0.00 175.22 174.55 3hhu n GLN 23 N -0.94 1.81 -0.25 0.44 7.27 -0.36 -4.76 117.38 120.60 3hhu n GLN 23 Ca 0.10 0.65 0.05 0.00 0.07 0.00 0.00 57.00 57.86 3hhu n GLN 23 Cb 0.45 -2.37 0.17 0.00 2.41 0.00 0.00 30.24 30.90 3hhu n GLN 23 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3hhu h ALA 24 N 1.90 0.99 -0.11 1.69 0.00 -1.93 -0.64 119.26 121.16 3hhu h ALA 24 Ca -0.48 0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.49 3hhu h ALA 24 Cb 1.30 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 3hhu h ALA 24 CO 0.59 -0.26 -0.23 0.93 0.00 0.00 0.00 179.25 180.28 3hhu h GLU 25 N 0.37 0.19 -0.23 0.00 3.07 -1.97 -0.60 114.58 115.40 3hhu h GLU 25 Ca 0.40 -0.06 -0.20 0.00 -0.50 0.00 0.00 59.36 59.01 3hhu h GLU 25 Cb 0.62 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.52 3hhu h GLU 25 CO -0.43 0.42 -0.63 0.82 -1.40 0.00 0.00 179.01 177.79 3hhu h ILE 26 N 0.17 1.28 -0.81 3.13 1.08 -1.49 -1.18 117.51 119.68 3hhu h ILE 26 Ca 0.03 -1.83 -0.02 0.00 -0.39 0.00 0.00 64.86 62.65 3hhu h ILE 26 Cb 0.51 1.77 -0.04 0.00 -3.07 0.00 0.00 36.82 35.99 3hhu h ILE 26 CO 0.04 0.59 0.42 0.00 -0.69 0.00 0.00 178.15 178.50 3hhu h ALA 27 N 0.67 1.20 -0.54 1.87 0.00 -0.87 -0.31 119.26 121.29 3hhu h ALA 27 Ca -0.01 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 3hhu h ALA 27 Cb 1.24 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3hhu h ALA 27 CO 0.13 0.63 -0.08 1.96 0.00 0.00 0.00 179.25 181.89 3hhu h GLN 28 N 1.15 1.00 -0.35 0.00 4.20 -1.06 -0.92 115.11 119.13 3hhu h GLN 28 Ca 0.28 -0.36 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 3hhu h GLN 28 Cb 0.07 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 3hhu h GLN 28 CO -0.04 1.04 0.19 1.25 -0.67 0.00 0.00 178.83 180.60 3hhu h LEU 29 N 0.87 0.43 -0.75 1.46 5.85 -0.81 -1.70 115.31 120.66 3hhu h LEU 29 Ca 0.14 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 3hhu h LEU 29 Cb 0.64 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 3hhu h LEU 29 CO 0.04 0.39 0.23 0.24 -0.34 0.00 0.00 178.44 179.00 3hhu h MET 30 N 0.44 1.16 -0.64 1.25 2.86 -0.92 -1.83 114.93 117.26 3hhu h MET 30 Ca 0.12 -0.25 -0.05 0.00 -2.06 0.00 0.00 59.70 57.45 3hhu h MET 30 Cb 0.05 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.51 3hhu h MET 30 CO -0.02 0.99 0.19 1.03 1.06 0.00 0.00 176.91 180.16 3hhu h SER 31 N 1.11 0.92 -0.51 1.22 0.87 -0.97 -1.21 113.55 114.98 3hhu h SER 31 Ca 0.24 -0.16 -0.05 0.00 -1.23 0.00 0.00 61.79 60.58 3hhu h SER 31 Cb 0.32 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 3hhu h SER 31 CO -0.01 0.87 0.11 0.25 -0.53 0.00 0.00 176.83 177.52 3hhu h LEU 32 N 0.95 0.80 -1.03 2.23 5.85 -0.91 -0.95 115.31 122.25 3hhu h LEU 32 Ca 0.21 -0.24 -0.07 0.00 0.84 0.00 0.00 57.88 58.62 3hhu h LEU 32 Cb 0.29 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 3hhu h LEU 32 CO -0.01 0.83 -0.05 0.40 -0.34 0.00 0.00 178.44 179.28 3hhu h ILE 33 N 0.72 1.23 0.01 4.05 2.04 -0.97 -1.33 117.51 123.25 3hhu h ILE 33 Ca 0.16 -0.98 -0.20 0.00 1.00 0.00 0.00 64.86 64.84 3hhu h ILE 33 Cb 0.36 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 3hhu h ILE 33 CO 0.00 0.33 -0.90 0.40 0.00 0.00 0.00 178.15 177.99 3hhu h ILE 34 N 0.60 1.49 0.00 -0.67 2.04 -0.97 -3.38 117.51 116.62 3hhu h ILE 34 Ca 0.12 -2.63 0.00 0.00 1.00 0.00 0.00 64.86 63.34 3hhu h ILE 34 Cb 0.45 2.49 0.00 0.00 -0.74 0.00 0.00 36.82 39.01 3hhu h ILE 34 CO 0.02 0.77 -1.41 0.59 0.00 0.00 0.00 178.15 178.12 3hhu n ASN 35 N -3.66 1.23 -4.74 1.72 3.02 -0.38 -4.96 115.26 107.49 3hhu n ASN 35 Ca -0.04 -0.26 -0.41 0.00 -0.03 0.00 0.00 54.58 53.84 3hhu n ASN 35 Cb 0.82 1.50 -0.04 0.00 -0.61 0.00 0.00 39.78 41.45 3hhu n ASN 35 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3hhu s THR 36 N -2.88 3.66 -0.11 3.41 2.01 -0.52 -4.99 115.64 116.22 3hhu s THR 36 Ca -0.02 1.42 -0.30 0.00 0.31 0.00 0.00 61.69 63.11 3hhu s THR 36 Cb 0.10 -3.91 -0.03 0.00 0.01 0.00 0.00 72.50 68.68 3hhu s THR 36 CO 0.64 0.24 1.33 0.12 -0.69 0.00 0.00 174.62 176.26 3hhu s PHE 37 N -0.18 2.77 -0.30 4.92 5.36 -1.26 -4.96 117.98 124.33 3hhu s PHE 37 Ca 0.51 0.90 -0.05 0.00 -0.96 0.00 0.00 56.93 57.32 3hhu s PHE 37 Cb -0.32 -3.57 0.19 0.00 -0.34 0.00 0.00 43.02 38.98 3hhu s PHE 37 CO 0.36 -2.05 0.76 -0.47 -1.46 0.00 0.00 175.22 172.36 3hhu s TYR 38 N 3.24 -1.22 -0.28 10.12 5.04 -1.26 -5.07 117.35 127.91 3hhu s TYR 38 Ca 0.59 1.31 0.20 0.00 -2.44 0.00 0.00 57.07 56.72 3hhu s TYR 38 Cb -0.25 0.43 0.15 0.00 0.35 0.00 0.00 41.96 42.64 3hhu s TYR 38 CO 0.19 -0.67 1.38 0.77 -1.34 0.00 0.00 175.55 175.88 3hhu h SER 39 N 8.00 0.00 -0.02 4.32 0.02 -2.04 -3.39 113.55 120.45 3hhu h SER 39 Ca -0.20 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.15 3hhu h SER 39 Cb 1.16 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.72 3hhu h SER 39 CO 0.13 0.21 3.25 -3.20 -1.14 0.00 0.00 176.83 176.08 3hhu n ASN 40 N -3.04 8.28 0.26 3.07 4.05 -1.26 -4.64 115.26 121.98 3hhu n ASN 40 Ca 0.01 -2.57 0.15 0.00 0.45 0.00 0.00 54.58 52.63 3hhu n ASN 40 Cb 0.63 -1.54 0.50 0.00 1.23 0.00 0.00 39.78 40.60 3hhu n ASN 40 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 177.26 174.32 3hhu h LYS 41 N 4.71 0.00 0.00 1.20 1.57 -1.97 -3.31 116.57 118.77 3hhu h LYS 41 Ca 0.78 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.56 3hhu h LYS 41 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 3hhu h LYS 41 CO 1.57 0.02 0.00 1.05 -0.57 0.00 0.00 179.45 181.51 3hhu h GLU 42 N 0.00 0.00 0.00 3.15 4.11 -1.98 -2.32 114.58 117.55 3hhu h GLU 42 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3hhu h GLU 42 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 3hhu h GLU 42 CO 0.00 0.00 0.00 0.44 0.07 0.00 0.00 179.01 179.52 3hhu n ILE 43 N -2.71 0.99 -0.26 -1.06 -6.64 -1.25 -2.76 119.36 105.68 3hhu n ILE 43 Ca -0.02 0.25 0.01 0.00 -1.77 0.00 0.00 62.75 61.22 3hhu n ILE 43 Cb 0.09 -1.06 0.22 0.00 -1.44 0.00 0.00 39.64 37.45 3hhu n ILE 43 CO 0.00 0.00 0.00 2.19 -1.77 0.00 0.00 176.55 176.97 3hhu h PHE 44 N 0.00 1.02 -0.33 4.28 -0.00 -1.69 -2.75 116.94 117.46 3hhu h PHE 44 Ca 0.00 0.02 -0.15 0.00 -0.00 0.00 0.00 57.97 57.84 3hhu h PHE 44 Cb 0.15 -0.34 -0.01 0.00 -0.00 0.00 0.00 35.95 35.75 3hhu h PHE 44 CO 0.00 0.62 -0.40 1.25 -0.00 0.00 0.00 178.31 179.78 3hhu h LEU 45 N 1.08 0.87 -0.99 2.10 5.85 -1.79 -1.94 115.31 120.49 3hhu h LEU 45 Ca 0.31 -0.40 -0.10 0.00 0.84 0.00 0.00 57.88 58.53 3hhu h LEU 45 Cb -0.08 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.70 3hhu h LEU 45 CO -0.08 1.16 -0.35 0.08 -0.34 0.00 0.00 178.44 178.91 3hhu h ARG 46 N 0.67 0.29 -0.39 1.25 0.11 -1.72 -1.05 114.38 113.54 3hhu h ARG 46 Ca 0.05 -0.12 -0.11 0.00 0.10 0.00 0.00 59.98 59.90 3hhu h ARG 46 Cb 0.97 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 32.03 3hhu h ARG 46 CO 0.09 0.61 -0.19 0.93 0.10 0.00 0.00 179.97 181.51 3hhu h GLU 47 N 0.25 0.81 -0.37 0.08 4.39 -1.20 -0.05 114.58 118.49 3hhu h GLU 47 Ca 0.03 -0.36 -0.12 0.00 0.34 0.00 0.00 59.36 59.25 3hhu h GLU 47 Cb 0.74 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.36 3hhu h GLU 47 CO 0.06 0.99 -0.26 -0.07 -1.16 0.00 0.00 179.01 178.57 3hhu h LEU 48 N 0.61 0.77 -0.73 1.33 3.38 -1.14 -1.96 115.31 117.57 3hhu h LEU 48 Ca 0.09 -0.29 -0.11 0.00 0.09 0.00 0.00 57.88 57.66 3hhu h LEU 48 Cb 0.75 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 3hhu h LEU 48 CO 0.06 0.99 -0.19 0.40 0.09 0.00 0.00 178.44 179.79 3hhu h ILE 49 N 0.65 1.27 -0.64 1.22 2.04 -1.09 -2.07 117.51 118.89 3hhu h ILE 49 Ca 0.08 -1.28 -0.07 0.00 1.00 0.00 0.00 64.86 64.59 3hhu h ILE 49 Cb 0.77 1.16 -0.03 0.00 -0.74 0.00 0.00 36.82 37.99 3hhu h ILE 49 CO 0.06 0.43 0.12 0.28 0.00 0.00 0.00 178.15 179.05 3hhu h SER 50 N 0.68 0.98 -0.68 1.72 0.02 -0.83 -0.07 113.55 115.37 3hhu h SER 50 Ca 0.10 -0.21 -0.02 0.00 -0.84 0.00 0.00 61.79 60.82 3hhu h SER 50 Cb 0.69 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.94 3hhu h SER 50 CO 0.05 0.96 0.35 0.78 -1.14 0.00 0.00 176.83 177.83 3hhu h ASN 51 N 0.97 0.88 -0.57 3.07 2.35 -1.13 -0.76 115.58 120.39 3hhu h ASN 51 Ca 0.20 -0.12 -0.02 0.00 -0.55 0.00 0.00 56.30 55.82 3hhu h ASN 51 Cb 0.39 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.51 3hhu h ASN 51 CO 0.01 0.74 0.29 0.28 -1.65 0.00 0.00 177.43 177.10 3hhu h SER 52 N 0.94 0.73 -0.87 5.81 0.02 -0.94 -1.68 113.55 117.56 3hhu h SER 52 Ca 0.24 -0.11 0.01 0.00 -0.84 0.00 0.00 61.79 61.08 3hhu h SER 52 Cb 0.08 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 62.40 3hhu h SER 52 CO -0.03 0.63 0.58 -1.28 -1.14 0.00 0.00 176.83 175.58 3hhu h SER 53 N 0.77 1.00 -0.68 3.07 0.87 -0.62 -0.40 113.55 117.55 3hhu h SER 53 Ca 0.20 -0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.71 3hhu h SER 53 Cb 0.08 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 61.76 3hhu h SER 53 CO -0.03 0.72 0.34 0.44 -0.53 0.00 0.00 176.83 177.77 3hhu h ASP 54 N 1.18 0.87 0.33 6.23 3.32 -0.77 -0.67 116.42 126.90 3hhu h ASP 54 Ca 0.32 -0.12 -0.10 0.00 0.02 0.00 0.00 57.03 57.15 3hhu h ASP 54 Cb -0.14 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.18 3hhu h ASP 54 CO -0.07 0.75 -0.41 0.00 -1.72 0.00 0.00 179.24 177.78 3hhu h ALA 55 N 1.16 1.21 -0.11 3.45 0.00 -0.75 -2.58 119.26 121.64 3hhu h ALA 55 Ca 0.23 -0.40 -0.20 0.00 0.00 0.00 0.00 54.91 54.55 3hhu h ALA 55 Cb 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3hhu h ALA 55 CO -0.03 0.56 -0.74 -0.07 0.00 0.00 0.00 179.25 178.96 3hhu h LEU 56 N 0.10 0.67 -0.96 0.00 3.38 -0.72 -1.90 115.31 115.88 3hhu h LEU 56 Ca 0.01 -0.44 0.05 0.00 0.09 0.00 0.00 57.88 57.59 3hhu h LEU 56 Cb 0.78 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.27 3hhu h LEU 56 CO 0.06 1.20 0.62 0.44 0.09 0.00 0.00 178.44 180.85 3hhu h ASP 57 N 0.39 1.01 -0.19 -0.43 3.32 -0.87 -1.54 116.42 118.10 3hhu h ASP 57 Ca -0.04 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 3hhu h ASP 57 Cb 1.34 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.66 3hhu h ASP 57 CO 0.14 0.68 -0.02 0.11 -1.72 0.00 0.00 179.24 178.42 3hhu h LYS 58 N 1.17 0.35 -0.11 3.56 1.57 -1.35 -0.70 116.57 121.06 3hhu h LYS 58 Ca 0.40 -0.12 -0.14 0.00 -1.87 0.00 0.00 60.65 58.91 3hhu h LYS 58 Cb 0.07 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 3hhu h LYS 58 CO -0.14 0.58 -0.55 0.97 -0.57 0.00 0.00 179.45 179.74 3hhu h ILE 59 N 0.08 1.36 -0.16 1.86 6.09 -1.41 -1.35 117.51 123.97 3hhu h ILE 59 Ca 0.05 -1.84 0.02 0.00 -1.37 0.00 0.00 64.86 61.71 3hhu h ILE 59 Cb 0.44 1.88 -0.02 0.00 0.47 0.00 0.00 36.82 39.59 3hhu h ILE 59 CO 0.01 0.55 0.05 -0.09 -3.07 0.00 0.00 178.15 175.61 3hhu h ARG 60 N 0.25 0.12 -0.16 2.19 2.43 -1.18 -1.37 114.38 116.66 3hhu h ARG 60 Ca 0.00 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 3hhu h ARG 60 Cb 1.05 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.56 3hhu h ARG 60 CO 0.09 0.08 0.08 -0.92 -1.51 0.00 0.00 179.97 177.79 3hhu h TYR 61 N 0.12 0.23 -0.14 2.20 3.20 -0.90 -3.00 116.97 118.68 3hhu h TYR 61 Ca 0.07 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.87 3hhu h TYR 61 Cb 0.05 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 3hhu h TYR 61 CO -0.12 0.27 -0.18 0.93 -1.64 0.00 0.00 178.16 177.43 3hhu h GLU 62 N 0.13 0.24 0.00 1.82 5.08 -1.14 -2.13 114.58 118.57 3hhu h GLU 62 Ca 0.05 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3hhu h GLU 62 Cb 0.13 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3hhu h GLU 62 CO -0.01 0.42 0.00 -1.13 -1.00 0.00 0.00 179.01 177.29 3hhu n SER 63 N -4.23 0.00 -0.23 1.42 3.41 -0.52 -2.26 113.62 111.20 3hhu n SER 63 Ca -0.01 0.25 -0.07 0.00 -0.26 0.00 0.00 58.87 58.78 3hhu n SER 63 Cb 0.30 -0.40 0.06 0.00 -0.26 0.00 0.00 64.21 63.91 3hhu n SER 63 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3hhu h LEU 64 N 0.00 1.05 0.00 1.04 4.07 -1.31 -3.18 115.31 116.98 3hhu h LEU 64 Ca 0.00 -0.24 0.00 0.00 0.08 0.00 0.00 57.88 57.72 3hhu h LEU 64 Cb 0.32 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 41.78 3hhu h LEU 64 CO 0.00 1.02 -1.12 0.35 -1.08 0.00 0.00 178.44 177.61 3hhu n THR 65 N -4.22 0.00 -3.43 0.22 -2.24 -1.12 -4.77 114.28 98.71 3hhu n THR 65 Ca 0.05 -0.16 -0.25 0.00 -2.27 0.00 0.00 64.05 61.42 3hhu n THR 65 Cb 0.28 0.76 -0.11 0.00 -2.10 0.00 0.00 70.33 69.16 3hhu n THR 65 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3hhu s ASP 66 N -3.10 2.40 0.59 3.42 -1.08 -0.96 -5.01 116.67 112.94 3hhu s ASP 66 Ca 0.03 -1.92 0.33 0.00 -0.52 0.00 0.00 52.55 50.48 3hhu s ASP 66 Cb 0.13 -0.07 1.88 0.00 -1.46 0.00 0.00 42.92 43.41 3hhu s ASP 66 CO 0.76 -0.30 2.24 -0.65 0.52 0.00 0.00 175.17 177.74 3hhu h PRO 67 N 7.13 0.00 0.00 4.34 0.11 -1.84 -2.17 132.00 139.57 3hhu h PRO 67 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 3hhu h PRO 67 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3hhu h PRO 67 CO 0.25 0.03 0.00 0.66 -0.21 0.00 0.00 178.00 178.73 3hhu h SER 68 N 0.00 0.00 0.53 -2.05 4.64 -1.95 -1.74 113.55 112.98 3hhu h SER 68 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hhu h SER 68 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3hhu h SER 68 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 3hhu n LYS 69 N -2.33 0.03 -0.16 4.77 5.02 -0.82 -1.50 118.16 123.17 3hhu n LYS 69 Ca 0.01 0.28 0.12 0.00 -2.02 0.00 0.00 58.31 56.70 3hhu n LYS 69 Cb 0.20 -1.55 0.21 0.00 -0.02 0.00 0.00 35.03 33.87 3hhu n LYS 69 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3hhu n LEU 70 N -1.60 3.34 0.32 -0.35 4.77 -0.65 -4.30 117.00 118.52 3hhu n LEU 70 Ca 0.03 -1.40 0.19 0.00 -0.03 0.00 0.00 56.01 54.80 3hhu n LEU 70 Cb 0.18 -0.21 1.05 0.00 -2.33 0.00 0.00 43.42 42.10 3hhu n LEU 70 CO 0.14 0.70 1.15 0.44 -1.33 0.00 0.00 177.39 178.49 3hhu h ASP 71 N 4.43 0.00 -0.29 -1.43 3.32 -1.41 0.10 116.42 121.14 3hhu h ASP 71 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hhu h ASP 71 Cb 0.97 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.52 3hhu h ASP 71 CO 0.00 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 175.98 3hhu n SER 72 N -3.49 1.72 0.00 6.45 3.41 -1.26 -4.91 113.62 115.53 3hhu n SER 72 Ca -0.03 -1.92 0.00 0.00 -0.26 0.00 0.00 58.87 56.66 3hhu n SER 72 Cb 0.08 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 3hhu n SER 72 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hhu n GLY 73 N 1.05 3.90 0.10 5.00 0.00 0.36 -3.86 105.19 111.72 3hhu n GLY 73 Ca 0.12 -0.70 0.00 0.00 0.00 0.00 0.00 46.02 45.45 3hhu n GLY 73 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hhu h LYS 74 N 0.00 0.00 -6.40 1.61 1.57 -1.91 -3.43 116.57 108.01 3hhu h LYS 74 Ca 0.00 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 58.24 3hhu h LYS 74 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3hhu h LYS 74 CO 0.00 0.28 0.65 -1.21 -0.57 0.00 0.00 179.45 178.60 3hhu s GLU 75 N -2.94 4.38 -0.37 3.15 8.01 -1.26 -5.00 118.70 124.67 3hhu s GLU 75 Ca -0.03 1.75 -0.06 0.00 0.01 0.00 0.00 54.97 56.65 3hhu s GLU 75 Cb 0.09 -3.46 0.07 0.00 -4.31 0.00 0.00 34.13 26.51 3hhu s GLU 75 CO 0.81 -0.37 0.16 -0.51 0.01 0.00 0.00 175.26 175.36 3hhu s LEU 76 N 1.68 4.72 0.31 1.80 1.43 -1.26 -4.76 118.68 122.59 3hhu s LEU 76 Ca 0.58 -1.43 -0.18 0.00 -1.03 0.00 0.00 54.13 52.07 3hhu s LEU 76 Cb -0.28 -1.88 0.03 0.00 0.03 0.00 0.00 46.19 44.09 3hhu s LEU 76 CO 0.26 -0.43 0.70 -1.38 0.23 0.00 0.00 176.35 175.73 3hhu s HIS 77 N 1.35 0.02 -0.06 0.29 -3.43 -1.26 -4.42 115.29 107.77 3hhu s HIS 77 Ca 0.01 -0.53 0.02 0.00 -0.80 0.00 0.00 55.06 53.76 3hhu s HIS 77 Cb -0.21 0.65 0.02 0.00 -1.43 0.00 0.00 32.58 31.61 3hhu s HIS 77 CO 0.01 -1.31 -0.10 0.42 -2.00 0.00 0.00 174.74 171.76 3hhu s ILE 78 N -3.41 0.99 -0.04 -5.38 1.01 -0.51 -2.59 121.20 111.26 3hhu s ILE 78 Ca 0.15 -0.38 0.05 0.00 0.00 0.00 0.00 60.65 60.46 3hhu s ILE 78 Cb -0.05 -0.93 -0.02 0.00 0.01 0.00 0.00 42.46 41.47 3hhu s ILE 78 CO 0.09 0.33 -0.19 0.20 0.00 0.00 0.00 174.94 175.37 3hhu s ASN 79 N 0.82 3.65 -0.17 3.58 0.02 0.73 -1.21 114.94 122.36 3hhu s ASN 79 Ca -0.12 -0.31 -0.01 0.00 -1.02 0.00 0.00 52.86 51.40 3hhu s ASN 79 Cb -0.15 -0.72 -0.01 0.00 0.02 0.00 0.00 41.25 40.39 3hhu s ASN 79 CO 0.02 0.32 -0.11 -0.76 0.02 0.00 0.00 177.10 176.59 3hhu s LEU 80 N -0.60 2.68 -0.32 0.60 1.43 0.19 -0.84 118.68 121.82 3hhu s LEU 80 Ca 0.09 -0.41 0.01 0.00 -1.03 0.00 0.00 54.13 52.79 3hhu s LEU 80 Cb -0.11 -1.64 0.10 0.00 0.03 0.00 0.00 46.19 44.57 3hhu s LEU 80 CO 0.00 0.06 0.07 -0.63 0.23 0.00 0.00 176.35 176.09 3hhu s ILE 81 N 0.96 1.44 0.25 -0.59 1.01 -0.02 -0.92 121.20 123.34 3hhu s ILE 81 Ca -0.02 -1.77 -0.19 0.00 0.00 0.00 0.00 60.65 58.68 3hhu s ILE 81 Cb -0.15 -2.07 -0.08 0.00 0.01 0.00 0.00 42.46 40.17 3hhu s ILE 81 CO -0.01 -0.63 0.73 -2.16 0.00 0.00 0.00 174.94 172.87 3hhu s PRO 82 N 1.33 4.19 -0.24 2.79 0.04 -1.26 -1.33 135.00 140.53 3hhu s PRO 82 Ca 0.10 0.83 -0.03 0.00 0.04 0.00 0.00 61.00 61.94 3hhu s PRO 82 Cb -0.18 -2.76 0.11 0.00 0.04 0.00 0.00 34.50 31.72 3hhu s PRO 82 CO -0.18 0.33 0.27 1.21 0.04 0.00 0.00 177.00 178.67 3hhu s ASN 83 N -1.81 1.24 0.31 6.66 3.84 -0.48 -4.77 114.94 119.92 3hhu s ASN 83 Ca 0.46 -0.28 0.15 0.00 0.21 0.00 0.00 52.86 53.40 3hhu s ASN 83 Cb -0.15 0.56 0.39 0.00 -0.55 0.00 0.00 41.25 41.50 3hhu s ASN 83 CO 0.20 -0.34 1.60 0.11 -2.79 0.00 0.00 177.10 175.88 3hhu h LYS 84 N 8.27 0.00 -0.42 0.43 1.57 -1.91 0.25 116.57 124.76 3hhu h LYS 84 Ca -0.17 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.49 3hhu h LYS 84 Cb 1.13 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 3hhu h LYS 84 CO 0.30 0.52 -0.22 0.37 -0.57 0.00 0.00 179.45 179.85 3hhu h GLN 85 N 0.00 0.83 0.00 3.15 4.15 -1.96 -3.02 115.11 118.26 3hhu h GLN 85 Ca -0.01 -0.34 0.00 0.00 0.77 0.00 0.00 58.65 59.07 3hhu h GLN 85 Cb 1.13 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.79 3hhu h GLN 85 CO 0.07 0.97 -0.73 -0.25 -1.93 0.00 0.00 178.83 176.96 3hhu n ASP 86 N -4.11 0.62 -3.75 -0.69 8.00 -1.14 -4.97 116.55 110.51 3hhu n ASP 86 Ca 0.00 -0.30 -0.23 0.00 0.71 0.00 0.00 54.79 54.97 3hhu n ASP 86 Cb 0.44 0.50 0.03 0.00 -0.02 0.00 0.00 41.12 42.06 3hhu n ASP 86 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 3hhu n ARG 87 N -1.70 -4.82 -4.62 -1.24 0.63 0.02 -4.91 116.66 100.02 3hhu n ARG 87 Ca 0.04 0.60 -0.24 0.00 -0.92 0.00 0.00 57.85 57.32 3hhu n ARG 87 Cb 0.37 -5.15 -0.14 0.00 0.45 0.00 0.00 32.46 28.00 3hhu n ARG 87 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 3hhu s THR 88 N -3.66 1.52 -0.16 5.15 -4.23 -0.88 -2.18 115.64 111.20 3hhu s THR 88 Ca 0.07 -1.09 -0.00 0.00 -1.18 0.00 0.00 61.69 59.49 3hhu s THR 88 Cb -0.04 -1.32 -0.00 0.00 1.34 0.00 0.00 72.50 72.48 3hhu s THR 88 CO 0.82 0.20 -0.14 -0.22 -0.54 0.00 0.00 174.62 174.74 3hhu s LEU 89 N -1.04 2.56 -0.12 4.79 2.96 -0.63 -1.38 118.68 125.81 3hhu s LEU 89 Ca 0.06 -0.44 0.01 0.00 -0.22 0.00 0.00 54.13 53.55 3hhu s LEU 89 Cb -0.08 -1.59 -0.01 0.00 0.50 0.00 0.00 46.19 45.01 3hhu s LEU 89 CO 0.01 0.09 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.07 3hhu s THR 90 N 0.80 2.69 -0.25 3.68 2.01 -0.44 -0.24 115.64 123.89 3hhu s THR 90 Ca -0.05 -0.79 -0.06 0.00 0.31 0.00 0.00 61.69 61.10 3hhu s THR 90 Cb -0.15 -2.10 -0.02 0.00 0.01 0.00 0.00 72.50 70.24 3hhu s THR 90 CO 0.00 0.54 0.04 -0.63 -0.69 0.00 0.00 174.62 173.88 3hhu s ILE 91 N 0.37 4.01 -0.11 1.82 1.09 -0.02 -0.84 121.20 127.53 3hhu s ILE 91 Ca -0.13 -0.32 0.02 0.00 -1.10 0.00 0.00 60.65 59.11 3hhu s ILE 91 Cb -0.17 -2.89 -0.01 0.00 -1.06 0.00 0.00 42.46 38.33 3hhu s ILE 91 CO 0.06 0.33 -0.16 -0.69 -0.10 0.00 0.00 174.94 174.39 3hhu s VAL 92 N 1.56 2.84 0.13 2.92 1.01 -0.02 -0.83 120.40 128.01 3hhu s VAL 92 Ca 0.06 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.32 3hhu s VAL 92 Cb -0.15 -2.15 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 3hhu s VAL 92 CO 0.02 0.54 -0.09 1.51 0.00 0.00 0.00 175.10 177.08 3hhu s ASP 93 N 0.12 1.59 -0.47 3.32 1.47 -0.26 -0.19 116.67 122.24 3hhu s ASP 93 Ca -0.08 -0.98 0.03 0.00 1.18 0.00 0.00 52.55 52.70 3hhu s ASP 93 Cb -0.15 0.02 0.47 0.00 -0.34 0.00 0.00 42.92 42.91 3hhu s ASP 93 CO 0.05 -0.35 1.63 0.35 0.68 0.00 0.00 175.17 177.53 3hhu n THR 94 N -0.05 3.07 -0.10 2.11 -2.24 -1.07 -2.02 114.28 113.98 3hhu n THR 94 Ca -0.12 -3.42 0.00 0.00 -2.27 0.00 0.00 64.05 58.25 3hhu n THR 94 Cb 0.60 -1.06 0.00 0.00 -2.10 0.00 0.00 70.33 67.77 3hhu n THR 94 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hhu n GLY 95 N -0.86 -1.44 0.16 3.38 0.00 -1.26 -4.73 105.19 100.44 3hhu n GLY 95 Ca 0.52 -1.53 0.13 0.00 0.00 0.00 0.00 46.02 45.15 3hhu n GLY 95 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3hhu h ILE 96 N -0.36 0.00 -0.59 -0.61 2.10 -1.69 -3.25 117.51 113.10 3hhu h ILE 96 Ca 0.00 -0.51 0.04 0.00 1.08 0.00 0.00 64.86 65.47 3hhu h ILE 96 Cb 0.00 1.43 -0.01 0.00 -1.09 0.00 0.00 36.82 37.15 3hhu h ILE 96 CO 0.00 0.00 -0.05 0.61 -1.08 0.00 0.00 178.15 177.63 3hhu n GLY 97 N 0.66 -1.98 2.87 8.18 0.00 -1.26 -4.34 105.19 109.32 3hhu n GLY 97 Ca 0.03 -1.38 -0.14 0.00 0.00 0.00 0.00 46.02 44.54 3hhu n GLY 97 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hhu s MET 98 N -0.55 0.13 0.98 1.61 1.00 -1.26 -4.82 119.30 116.40 3hhu s MET 98 Ca 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 55.69 55.55 3hhu s MET 98 Cb 0.00 -0.18 0.18 0.00 0.00 0.00 0.00 34.83 34.82 3hhu s MET 98 CO 0.00 -0.01 1.10 0.95 0.00 0.00 0.00 175.02 177.06 3hhu s THR 99 N 0.21 2.11 0.22 2.05 -4.23 -1.26 -3.93 115.64 110.81 3hhu s THR 99 Ca -0.02 0.04 -0.09 0.00 -1.18 0.00 0.00 61.69 60.44 3hhu s THR 99 Cb -0.04 -2.56 0.17 0.00 1.34 0.00 0.00 72.50 71.41 3hhu s THR 99 CO -0.01 -0.05 1.86 0.50 -0.54 0.00 0.00 174.62 176.38 3hhu h LYS 100 N -1.82 0.90 -0.47 3.99 3.64 -1.97 0.85 116.57 121.69 3hhu h LYS 100 Ca -0.54 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 58.75 3hhu h LYS 100 Cb 1.33 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.92 3hhu h LYS 100 CO 0.58 0.60 0.14 0.00 -2.27 0.00 0.00 179.45 178.50 3hhu h ALA 101 N 1.32 0.62 -0.62 5.00 0.00 -1.99 -2.03 119.26 121.56 3hhu h ALA 101 Ca 0.30 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 55.10 3hhu h ALA 101 Cb 0.02 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.57 3hhu h ALA 101 CO -0.11 0.28 0.30 -0.44 0.00 0.00 0.00 179.25 179.28 3hhu h ASP 102 N 0.63 0.41 0.05 0.00 3.32 -1.76 -0.57 116.42 118.49 3hhu h ASP 102 Ca 0.15 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.25 3hhu h ASP 102 Cb 0.28 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.81 3hhu h ASP 102 CO -0.00 0.26 -0.04 -0.07 -1.72 0.00 0.00 179.24 177.67 3hhu h LEU 103 N 0.55 -0.09 -0.53 1.55 3.38 -0.49 0.12 115.31 119.80 3hhu h LEU 103 Ca 0.29 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 58.14 3hhu h LEU 103 Cb 0.26 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3hhu h LEU 103 CO -0.22 -0.06 -0.20 0.40 0.09 0.00 0.00 178.44 178.44 3hhu h ILE 104 N -0.09 1.27 -0.08 1.22 2.04 -1.16 -2.24 117.51 118.47 3hhu h ILE 104 Ca -0.00 -1.36 -0.06 0.00 1.00 0.00 0.00 64.86 64.44 3hhu h ILE 104 Cb 0.08 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.27 3hhu h ILE 104 CO -0.00 0.47 -0.17 0.78 0.00 0.00 0.00 178.15 179.23 3hhu h ASN 105 N 0.85 0.29 -0.63 1.72 2.35 -1.00 -1.66 115.58 117.50 3hhu h ASN 105 Ca 0.11 -0.57 -0.05 0.00 -0.55 0.00 0.00 56.30 55.23 3hhu h ASN 105 Cb 0.77 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 39.03 3hhu h ASN 105 CO 0.06 0.81 0.18 0.78 -1.65 0.00 0.00 177.43 177.61 3hhu h ASN 106 N -0.22 0.93 0.14 5.81 2.35 -0.75 -2.74 115.58 121.10 3hhu h ASN 106 Ca 0.00 -0.22 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 3hhu h ASN 106 Cb 0.77 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.89 3hhu h ASN 106 CO 0.04 0.90 -1.79 0.18 -1.65 0.00 0.00 177.43 175.11 3hhu n LEU 107 N -4.35 0.18 -0.00 1.61 4.77 -0.84 -4.45 117.00 113.91 3hhu n LEU 107 Ca 0.04 0.02 0.09 0.00 -0.03 0.00 0.00 56.01 56.13 3hhu n LEU 107 Cb 0.23 -0.01 -0.13 0.00 -2.33 0.00 0.00 43.42 41.18 3hhu n LEU 107 CO 0.41 -0.01 -0.33 0.61 -1.33 0.00 0.00 177.39 176.73 3hhu n GLY 108 N 1.26 -0.84 3.30 -0.72 0.00 -0.62 -4.98 105.19 102.59 3hhu n GLY 108 Ca -0.03 -0.51 -0.16 0.00 0.00 0.00 0.00 46.02 45.32 3hhu n GLY 108 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3hhu s THR 109 N -3.04 0.43 0.16 2.61 -4.23 -1.03 -1.23 115.64 109.32 3hhu s THR 109 Ca 0.01 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.40 3hhu s THR 109 Cb 0.14 -2.59 0.05 0.00 1.34 0.00 0.00 72.50 71.43 3hhu s THR 109 CO 0.80 0.00 1.70 0.40 -0.54 0.00 0.00 174.62 176.98 3hhu h ILE 110 N 2.39 1.23 0.00 2.99 2.04 -1.91 -3.45 117.51 120.81 3hhu h ILE 110 Ca -0.37 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 64.74 3hhu h ILE 110 Cb 1.25 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 3hhu h ILE 110 CO 0.58 0.28 0.00 0.00 0.00 0.00 0.00 178.15 179.01 3hhu n ALA 111 N -2.37 0.00 1.17 1.87 0.00 -1.26 -0.90 120.51 119.03 3hhu n ALA 111 Ca 0.02 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.58 3hhu n ALA 111 Cb 0.18 0.00 0.37 0.00 0.00 0.00 0.00 19.45 20.01 3hhu n ALA 111 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3hhu n LYS 112 N 14.00 1.83 -1.82 0.00 5.02 -1.26 -4.97 118.16 130.96 3hhu n LYS 112 Ca 0.00 -1.24 -0.30 0.00 -2.02 0.00 0.00 58.31 54.75 3hhu n LYS 112 Cb 0.00 -1.43 0.06 0.00 -0.02 0.00 0.00 35.03 33.64 3hhu n LYS 112 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3hhu s SER 113 N -1.67 5.20 -0.57 4.39 1.04 -0.08 -4.97 113.70 117.04 3hhu s SER 113 Ca 0.34 1.14 -0.01 0.00 0.48 0.00 0.00 55.95 57.90 3hhu s SER 113 Cb 0.19 -1.91 0.42 0.00 0.10 0.00 0.00 66.02 64.82 3hhu s SER 113 CO 0.29 -1.50 2.01 0.61 0.98 0.00 0.00 173.24 175.63 3hhu n GLY 114 N -2.85 5.36 0.25 7.32 0.00 0.22 -4.72 105.19 110.77 3hhu n GLY 114 Ca 0.07 -1.93 0.02 0.00 0.00 0.00 0.00 46.02 44.18 3hhu n GLY 114 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3hhu h THR 115 N 0.99 0.46 -0.21 2.61 2.02 -1.89 -0.07 112.91 116.82 3hhu h THR 115 Ca 0.54 -0.05 -0.03 0.00 0.77 0.00 0.00 66.41 67.65 3hhu h THR 115 Cb 1.02 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 3hhu h THR 115 CO 1.37 0.02 0.02 0.11 0.37 0.00 0.00 175.52 177.42 3hhu h LYS 116 N 0.14 0.36 -0.96 6.66 1.57 -1.95 -1.85 116.57 120.54 3hhu h LYS 116 Ca 0.35 -0.10 0.02 0.00 -1.87 0.00 0.00 60.65 59.05 3hhu h LYS 116 Cb 0.59 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.81 3hhu h LYS 116 CO -0.55 0.52 0.63 0.00 -0.57 0.00 0.00 179.45 179.48 3hhu h ALA 117 N 0.82 1.35 -0.50 3.86 0.00 -1.81 -2.27 119.26 120.71 3hhu h ALA 117 Ca 0.06 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 3hhu h ALA 117 Cb 0.35 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3hhu h ALA 117 CO 0.01 0.58 -0.11 0.35 0.00 0.00 0.00 179.25 180.07 3hhu h PHE 118 N 1.25 1.09 -0.73 0.00 3.57 -0.75 -0.01 116.94 121.36 3hhu h PHE 118 Ca 0.37 -0.23 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 3hhu h PHE 118 Cb -0.07 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.37 3hhu h PHE 118 CO -0.00 1.03 0.33 0.52 -2.23 0.00 0.00 178.31 177.96 3hhu h MET 119 N 0.83 1.06 -0.14 1.11 2.86 -1.02 -1.87 114.93 117.76 3hhu h MET 119 Ca 0.13 -0.17 -0.17 0.00 -2.06 0.00 0.00 59.70 57.44 3hhu h MET 119 Cb 0.67 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.14 3hhu h MET 119 CO 0.05 0.84 -0.61 0.93 1.06 0.00 0.00 176.91 179.18 3hhu h GLU 120 N 1.03 0.48 -0.53 1.72 5.08 -1.23 -3.15 114.58 117.98 3hhu h GLU 120 Ca 0.25 -0.33 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 3hhu h GLU 120 Cb 0.15 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 3hhu h GLU 120 CO -0.03 0.94 0.09 0.00 -1.00 0.00 0.00 179.01 179.02 3hhu h ALA 121 N 0.98 1.17 0.00 3.43 0.00 -0.52 -2.24 119.26 122.08 3hhu h ALA 121 Ca -0.01 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 3hhu h ALA 121 Cb 1.16 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 3hhu h ALA 121 CO 0.11 0.56 -0.11 -0.07 0.00 0.00 0.00 179.25 179.73 3hhu h LEU 122 N 0.79 0.00 -0.24 0.00 3.38 -1.31 0.55 115.31 118.49 3hhu h LEU 122 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3hhu h LEU 122 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3hhu h LEU 122 CO 0.00 0.11 -0.17 0.00 0.09 0.00 0.00 178.44 178.48 3hhu n GLN 123 N -3.80 0.59 -0.52 1.13 6.02 -0.85 -4.07 117.38 115.87 3hhu n GLN 123 Ca -0.02 -0.24 0.06 0.00 -0.01 0.00 0.00 57.00 56.80 3hhu n GLN 123 Cb 0.21 -1.50 0.13 0.00 1.02 0.00 0.00 30.24 30.11 3hhu n GLN 123 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hhu n ALA 124 N -1.00 2.76 0.00 -1.58 0.00 0.06 -4.98 120.51 115.77 3hhu n ALA 124 Ca 0.12 -2.63 0.00 0.00 0.00 0.00 0.00 53.44 50.94 3hhu n ALA 124 Cb 0.30 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.32 3hhu n ALA 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hhu n GLY 125 N -0.86 0.78 3.86 0.00 0.00 -1.04 -5.01 105.19 102.91 3hhu n GLY 125 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 3hhu n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hhu s ALA 126 N -2.00 2.99 0.33 4.61 0.00 -0.45 -5.01 121.76 122.23 3hhu s ALA 126 Ca 0.00 -0.05 0.06 0.00 0.00 0.00 0.00 51.96 51.97 3hhu s ALA 126 Cb 0.00 -3.10 -0.07 0.00 0.00 0.00 0.00 23.12 19.95 3hhu s ALA 126 CO 0.00 -0.83 -0.01 0.16 0.00 0.00 0.00 175.76 175.08 3hhu s ASP 127 N -4.08 3.01 0.58 0.00 -4.77 -1.26 -4.49 116.67 105.65 3hhu s ASP 127 Ca 0.56 -1.29 0.27 0.00 -3.30 0.00 0.00 52.55 48.79 3hhu s ASP 127 Cb -0.12 -0.22 1.70 0.00 -1.09 0.00 0.00 42.92 43.19 3hhu s ASP 127 CO 0.54 -0.43 2.22 0.40 0.70 0.00 0.00 175.17 178.60 3hhu h ILE 128 N 2.09 0.61 0.00 2.11 2.04 -1.99 -1.95 117.51 120.43 3hhu h ILE 128 Ca -0.41 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.45 3hhu h ILE 128 Cb 1.24 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 38.30 3hhu h ILE 128 CO 0.71 0.00 0.00 0.77 0.00 0.00 0.00 178.15 179.63 3hhu h SER 129 N 0.00 0.00 -0.19 1.72 4.64 -1.96 -1.89 113.55 115.88 3hhu h SER 129 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3hhu h SER 129 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3hhu h SER 129 CO -0.00 0.00 0.00 0.23 -0.87 0.00 0.00 176.83 176.19 3hhu n MET 130 N -2.75 1.57 -0.02 4.77 2.81 -0.73 -4.41 117.12 118.37 3hhu n MET 130 Ca -0.01 -0.87 0.13 0.00 -1.81 0.00 0.00 57.70 55.14 3hhu n MET 130 Cb 0.14 -1.29 0.56 0.00 -0.71 0.00 0.00 33.22 31.92 3hhu n MET 130 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 3hhu h ILE 131 N 1.58 0.88 0.00 2.02 2.10 -1.53 -0.78 117.51 121.78 3hhu h ILE 131 Ca 0.00 -0.09 0.00 0.00 1.08 0.00 0.00 64.86 65.85 3hhu h ILE 131 Cb 0.35 0.59 0.00 0.00 -1.09 0.00 0.00 36.82 36.67 3hhu h ILE 131 CO 0.00 0.05 0.00 1.23 -1.08 0.00 0.00 178.15 178.35 3hhu h GLY 132 N 0.27 0.00 2.00 8.18 0.00 -1.85 -2.14 103.07 109.52 3hhu h GLY 132 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 3hhu h GLY 132 CO -0.05 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.43 3hhu n GLN 133 N -2.45 0.12 -0.11 4.80 6.02 -0.30 -3.32 117.38 122.14 3hhu n GLN 133 Ca 0.02 0.25 0.04 0.00 -0.01 0.00 0.00 57.00 57.29 3hhu n GLN 133 Cb 0.26 -1.68 0.09 0.00 1.02 0.00 0.00 30.24 29.94 3hhu n GLN 133 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3hhu n PHE 134 N -1.89 0.26 -1.08 1.08 3.72 -0.81 -4.98 117.46 113.76 3hhu n PHE 134 Ca 0.04 -0.57 -0.03 0.00 -0.05 0.00 0.00 57.45 56.84 3hhu n PHE 134 Cb 0.28 -0.07 -0.01 0.00 -0.94 0.00 0.00 39.48 38.74 3hhu n PHE 134 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hhu n GLY 135 N -0.17 0.59 0.58 1.37 0.00 -1.21 0.72 105.19 107.07 3hhu n GLY 135 Ca 0.08 -0.39 0.06 0.00 0.00 0.00 0.00 46.02 45.77 3hhu n GLY 135 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3hhu n VAL 136 N -2.78 1.88 -0.13 1.61 0.24 -1.24 -4.72 118.33 113.20 3hhu n VAL 136 Ca -0.03 -2.76 0.20 0.00 -2.04 0.00 0.00 64.34 59.72 3hhu n VAL 136 Cb 0.16 -0.10 0.61 0.00 -1.47 0.00 0.00 33.84 33.04 3hhu n VAL 136 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 3hhu h GLY 137 N 0.77 0.38 0.06 7.63 0.00 -1.88 -2.07 103.07 107.97 3hhu h GLY 137 Ca -0.02 -0.09 0.22 0.00 0.00 0.00 0.00 47.33 47.43 3hhu h GLY 137 CO 0.01 0.02 0.62 -2.75 0.00 0.00 0.00 176.54 174.44 3hhu h PHE 138 N 0.20 0.92 0.00 5.60 3.57 -1.88 -1.98 116.94 123.37 3hhu h PHE 138 Ca 0.36 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.89 3hhu h PHE 138 Cb 1.13 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.60 3hhu h PHE 138 CO -0.00 0.16 0.00 0.66 -2.23 0.00 0.00 178.31 176.90 3hhu n TYR 139 N -4.72 0.18 0.23 0.41 4.01 -0.78 -1.49 117.16 115.00 3hhu n TYR 139 Ca 0.24 0.06 0.10 0.00 -0.16 0.00 0.00 57.90 58.14 3hhu n TYR 139 Cb 0.68 -0.60 0.48 0.00 -0.31 0.00 0.00 39.34 39.58 3hhu n TYR 139 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3hhu n SER 140 N -1.66 0.50 -0.14 7.72 3.41 -0.74 -1.92 113.62 120.78 3hhu n SER 140 Ca 0.04 0.69 0.17 0.00 -0.26 0.00 0.00 58.87 59.51 3hhu n SER 140 Cb 0.25 -0.77 0.54 0.00 -0.26 0.00 0.00 64.21 63.96 3hhu n SER 140 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hhu h ALA 141 N 2.10 2.19 -0.01 7.33 0.00 -1.46 -1.22 119.26 128.19 3hhu h ALA 141 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hhu h ALA 141 Cb 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3hhu h ALA 141 CO 0.00 -0.39 0.00 0.66 0.00 0.00 0.00 179.25 179.52 3hhu n TYR 142 N -4.46 0.02 0.16 0.00 4.01 -0.81 -1.62 117.16 114.47 3hhu n TYR 142 Ca 0.14 -0.01 0.02 0.00 -0.16 0.00 0.00 57.90 57.89 3hhu n TYR 142 Cb 0.56 0.00 0.26 0.00 -0.31 0.00 0.00 39.34 39.85 3hhu n TYR 142 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3hhu h LEU 143 N 0.18 0.00 0.00 7.72 3.38 -1.42 -3.39 115.31 121.78 3hhu h LEU 143 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hhu h LEU 143 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3hhu h LEU 143 CO 0.00 0.50 -0.37 1.33 0.09 0.00 0.00 178.44 179.99 3hhu n VAL 144 N -3.78 0.00 -4.72 1.22 0.24 -0.86 -5.03 118.33 105.40 3hhu n VAL 144 Ca -0.01 -0.18 -0.33 0.00 -2.04 0.00 0.00 64.34 61.78 3hhu n VAL 144 Cb 0.54 0.67 -0.12 0.00 -1.47 0.00 0.00 33.84 33.46 3hhu n VAL 144 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hhu s ALA 145 N -1.08 2.83 0.01 2.33 0.00 -0.64 -0.77 121.76 124.44 3hhu s ALA 145 Ca 0.00 -0.92 0.10 0.00 0.00 0.00 0.00 51.96 51.15 3hhu s ALA 145 Cb 0.00 -1.15 -0.13 0.00 0.00 0.00 0.00 23.12 21.84 3hhu s ALA 145 CO 0.00 0.51 1.25 1.05 0.00 0.00 0.00 175.76 178.57 3hhu h GLU 146 N 5.53 0.00 -3.71 0.00 4.11 -1.30 -3.42 114.58 115.79 3hhu h GLU 146 Ca -0.44 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 58.77 3hhu h GLU 146 Cb 1.17 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 30.15 3hhu h GLU 146 CO 0.53 0.77 -0.70 0.21 0.07 0.00 0.00 179.01 179.89 3hhu s LYS 147 N -2.79 0.05 -0.05 1.06 2.20 -1.20 -4.47 119.74 114.55 3hhu s LYS 147 Ca 0.01 -0.04 0.05 0.00 -0.36 0.00 0.00 55.97 55.63 3hhu s LYS 147 Cb 0.09 0.02 -0.01 0.00 -1.51 0.00 0.00 37.83 36.43 3hhu s LYS 147 CO 0.80 -0.01 -0.21 0.08 -0.36 0.00 0.00 175.35 175.64 3hhu s VAL 148 N -0.15 1.78 -0.12 4.02 1.01 -0.72 -1.33 120.40 124.89 3hhu s VAL 148 Ca -0.02 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.08 3hhu s VAL 148 Cb -0.01 -1.51 -0.00 0.00 0.00 0.00 0.00 36.38 34.85 3hhu s VAL 148 CO -0.00 0.50 -0.20 -0.89 0.00 0.00 0.00 175.10 174.50 3hhu s THR 149 N -0.06 2.32 -0.25 3.92 2.01 -0.73 -1.86 115.64 120.99 3hhu s THR 149 Ca -0.04 -0.91 -0.01 0.00 0.31 0.00 0.00 61.69 61.03 3hhu s THR 149 Cb -0.13 -1.93 0.03 0.00 0.01 0.00 0.00 72.50 70.49 3hhu s THR 149 CO 0.03 0.55 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.75 3hhu s VAL 150 N 0.49 2.78 -0.17 3.82 1.01 0.99 -0.31 120.40 129.02 3hhu s VAL 150 Ca -0.14 -1.08 -0.05 0.00 0.00 0.00 0.00 61.98 60.72 3hhu s VAL 150 Cb -0.17 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.76 3hhu s VAL 150 CO 0.05 0.19 0.00 -0.63 0.00 0.00 0.00 175.10 174.71 3hhu s ILE 151 N 1.30 4.22 0.00 2.22 1.01 0.16 -0.34 121.20 129.78 3hhu s ILE 151 Ca -0.00 -0.24 -0.04 0.00 0.00 0.00 0.00 60.65 60.37 3hhu s ILE 151 Cb -0.17 -2.87 -0.01 0.00 0.01 0.00 0.00 42.46 39.43 3hhu s ILE 151 CO -0.05 0.48 0.07 0.28 0.00 0.00 0.00 174.94 175.71 3hhu s THR 152 N 0.39 0.08 -0.08 2.92 -1.32 -0.44 0.18 115.64 117.37 3hhu s THR 152 Ca -0.01 -0.63 -0.02 0.00 -1.21 0.00 0.00 61.69 59.81 3hhu s THR 152 Cb -0.14 -0.31 0.04 0.00 -1.51 0.00 0.00 72.50 70.58 3hhu s THR 152 CO 0.02 -0.35 0.05 -0.75 -2.21 0.00 0.00 174.62 171.38 3hhu s LYS 153 N -1.13 0.14 0.08 7.08 2.47 -0.04 -1.84 119.74 126.50 3hhu s LYS 153 Ca -0.12 0.18 0.04 0.00 -1.56 0.00 0.00 55.97 54.50 3hhu s LYS 153 Cb -0.07 -0.97 -0.04 0.00 -1.46 0.00 0.00 37.83 35.29 3hhu s LYS 153 CO 0.00 -0.41 0.05 -1.58 0.16 0.00 0.00 175.35 173.57 3hhu s HIS 154 N 2.10 3.12 0.53 4.03 5.65 -1.25 -1.24 115.29 128.23 3hhu s HIS 154 Ca 0.04 0.04 0.26 0.00 0.25 0.00 0.00 55.06 55.65 3hhu s HIS 154 Cb -0.13 -1.59 1.41 0.00 -1.18 0.00 0.00 32.58 31.08 3hhu s HIS 154 CO -0.05 0.51 1.99 -0.91 -0.65 0.00 0.00 174.74 175.63 3hhu h ASN 155 N 3.40 0.00 -0.32 9.88 2.35 -1.92 -2.28 115.58 126.69 3hhu h ASN 155 Ca -0.47 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.28 3hhu h ASN 155 Cb 1.16 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.53 3hhu h ASN 155 CO 0.63 0.00 0.00 0.47 -1.65 0.00 0.00 177.43 176.88 3hhu n ASP 156 N -4.35 2.47 -2.71 5.81 8.00 -1.26 -4.96 116.55 119.54 3hhu n ASP 156 Ca 0.10 -1.88 -0.12 0.00 0.71 0.00 0.00 54.79 53.60 3hhu n ASP 156 Cb 0.62 -0.21 -0.02 0.00 -0.02 0.00 0.00 41.12 41.48 3hhu n ASP 156 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3hhu n ASP 157 N 0.84 -1.26 -4.80 -2.24 -0.08 -0.86 -5.07 116.55 103.08 3hhu n ASP 157 Ca 0.17 -2.62 -0.23 0.00 -1.51 0.00 0.00 54.79 50.60 3hhu n ASP 157 Cb 0.44 2.31 0.08 0.00 2.34 0.00 0.00 41.12 46.28 3hhu n ASP 157 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 3hhu s GLU 158 N -2.63 2.02 -0.01 -0.67 0.41 -1.26 -4.48 118.70 112.08 3hhu s GLU 158 Ca 0.24 -0.84 -0.29 0.00 -0.41 0.00 0.00 54.97 53.68 3hhu s GLU 158 Cb -0.01 -2.34 -0.03 0.00 -1.78 0.00 0.00 34.13 29.96 3hhu s GLU 158 CO 0.17 -1.19 0.92 -1.14 -0.49 0.00 0.00 175.26 173.53 3hhu s GLN 159 N -5.05 4.54 0.09 1.61 0.74 -1.26 -4.59 119.66 115.73 3hhu s GLN 159 Ca 0.62 1.31 0.06 0.00 0.05 0.00 0.00 55.36 57.40 3hhu s GLN 159 Cb -0.08 -3.46 -0.03 0.00 1.10 0.00 0.00 33.01 30.54 3hhu s GLN 159 CO 0.43 -0.02 -0.17 0.71 -0.55 0.00 0.00 175.29 175.69 3hhu s TYR 160 N 0.94 1.45 -0.16 1.67 2.02 -0.77 -1.49 117.35 121.01 3hhu s TYR 160 Ca 0.49 -0.46 -0.00 0.00 -0.37 0.00 0.00 57.07 56.73 3hhu s TYR 160 Cb -0.20 -0.80 -0.00 0.00 -0.40 0.00 0.00 41.96 40.56 3hhu s TYR 160 CO 0.26 0.12 -0.14 0.00 -1.57 0.00 0.00 175.55 174.22 3hhu s ALA 161 N -1.34 2.53 -0.03 3.71 0.00 0.24 -1.33 121.76 125.54 3hhu s ALA 161 Ca 0.02 -1.06 -0.01 0.00 0.00 0.00 0.00 51.96 50.91 3hhu s ALA 161 Cb -0.09 -1.28 -0.04 0.00 0.00 0.00 0.00 23.12 21.71 3hhu s ALA 161 CO 0.03 -0.08 0.06 -0.46 0.00 0.00 0.00 175.76 175.31 3hhu s TRP 162 N 0.89 3.27 -0.09 0.00 -0.00 0.54 -1.46 118.94 122.10 3hhu s TRP 162 Ca -0.04 0.22 -0.14 0.00 -0.00 0.00 0.00 56.10 56.14 3hhu s TRP 162 Cb -0.15 -1.76 0.03 0.00 -0.00 0.00 0.00 33.47 31.59 3hhu s TRP 162 CO -0.01 0.54 0.36 -2.00 -0.00 0.00 0.00 176.95 175.84 3hhu s GLU 163 N -1.49 0.55 -0.24 5.86 2.12 -0.63 -0.01 118.70 124.86 3hhu s GLU 163 Ca 0.20 0.23 -0.22 0.00 0.36 0.00 0.00 54.97 55.53 3hhu s GLU 163 Cb -0.12 0.26 0.06 0.00 0.26 0.00 0.00 34.13 34.59 3hhu s GLU 163 CO 0.10 -0.11 0.64 0.45 -0.54 0.00 0.00 175.26 175.80 3hhu s SER 164 N -0.46 -0.67 -0.37 -1.70 0.15 -0.78 -1.14 113.70 108.74 3hhu s SER 164 Ca -0.06 1.28 0.07 0.00 0.70 0.00 0.00 55.95 57.94 3hhu s SER 164 Cb -0.04 1.30 0.59 0.00 -1.71 0.00 0.00 66.02 66.16 3hhu s SER 164 CO 0.02 -0.23 1.69 -1.20 1.20 0.00 0.00 173.24 174.73 3hhu n SER 165 N 2.71 3.14 0.00 5.45 7.64 -1.26 -1.76 113.62 129.54 3hhu n SER 165 Ca -0.14 -3.68 0.00 0.00 1.01 0.00 0.00 58.87 56.06 3hhu n SER 165 Cb 0.56 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 3hhu n SER 165 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hhu n ALA 166 N -1.11 0.00 -1.00 -0.43 0.00 -1.26 -4.92 120.51 111.79 3hhu n ALA 166 Ca 0.46 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.90 3hhu n ALA 166 Cb 1.35 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.80 3hhu n ALA 166 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hhu n GLY 167 N 0.00 0.29 0.00 0.00 0.00 -1.26 -3.62 105.19 100.60 3hhu n GLY 167 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3hhu n GLY 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hhu n GLY 168 N -1.31 0.29 3.18 -0.02 0.00 -1.26 -5.07 105.19 101.01 3hhu n GLY 168 Ca -0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 3hhu n GLY 168 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hhu s SER 169 N -2.08 1.16 0.08 1.61 1.04 -1.24 -1.74 113.70 112.53 3hhu s SER 169 Ca 0.00 -1.03 -0.02 0.00 0.48 0.00 0.00 55.95 55.38 3hhu s SER 169 Cb 0.00 0.10 -0.04 0.00 0.10 0.00 0.00 66.02 66.18 3hhu s SER 169 CO 0.00 -0.48 0.02 0.72 0.98 0.00 0.00 173.24 174.48 3hhu s PHE 170 N -3.62 0.57 0.18 5.02 -0.12 -0.36 -4.45 117.98 115.20 3hhu s PHE 170 Ca 0.14 -1.06 0.10 0.00 -0.05 0.00 0.00 56.93 56.06 3hhu s PHE 170 Cb 0.05 -0.37 -0.04 0.00 -0.63 0.00 0.00 43.02 42.03 3hhu s PHE 170 CO -0.04 -0.44 -0.18 0.95 -0.05 0.00 0.00 175.22 175.46 3hhu s THR 171 N -3.95 2.70 -0.03 -4.49 -4.23 -0.29 -0.45 115.64 104.90 3hhu s THR 171 Ca 0.11 -1.86 0.02 0.00 -1.18 0.00 0.00 61.69 58.78 3hhu s THR 171 Cb 0.07 -2.31 0.01 0.00 1.34 0.00 0.00 72.50 71.61 3hhu s THR 171 CO -0.07 -0.10 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.15 3hhu s VAL 172 N -1.65 0.64 0.06 2.29 1.01 -0.00 -1.60 120.40 121.15 3hhu s VAL 172 Ca 0.22 -0.26 -0.04 0.00 0.00 0.00 0.00 61.98 61.90 3hhu s VAL 172 Cb -0.08 -0.60 -0.02 0.00 0.00 0.00 0.00 36.38 35.67 3hhu s VAL 172 CO 0.12 0.22 0.05 0.00 0.00 0.00 0.00 175.10 175.49 3hhu s ARG 173 N 0.38 0.69 0.55 2.72 1.70 -0.53 -1.71 118.95 122.76 3hhu s ARG 173 Ca -0.05 -1.10 -0.20 0.00 -0.47 0.00 0.00 55.73 53.90 3hhu s ARG 173 Cb -0.10 0.26 -0.05 0.00 -0.57 0.00 0.00 34.95 34.49 3hhu s ARG 173 CO 0.00 -0.17 1.21 0.95 -1.08 0.00 0.00 175.30 176.22 3hhu s THR 174 N -3.82 2.70 -0.16 4.99 -4.23 -1.26 -0.60 115.64 113.26 3hhu s THR 174 Ca 0.06 0.47 0.01 0.00 -1.18 0.00 0.00 61.69 61.04 3hhu s THR 174 Cb 0.06 -3.21 0.02 0.00 1.34 0.00 0.00 72.50 70.72 3hhu s THR 174 CO -0.10 -0.07 -0.17 -0.62 -0.54 0.00 0.00 174.62 173.12 3hhu s ASP 175 N -1.47 2.90 0.15 3.99 2.15 -0.55 -4.66 116.67 119.17 3hhu s ASP 175 Ca 0.73 -0.56 0.04 0.00 0.43 0.00 0.00 52.55 53.19 3hhu s ASP 175 Cb -0.31 -1.33 -0.04 0.00 -0.30 0.00 0.00 42.92 40.94 3hhu s ASP 175 CO 0.35 -0.02 -0.08 0.42 -0.17 0.00 0.00 175.17 175.68 3hhu s THR 176 N 1.32 1.04 0.00 1.71 -4.23 -1.26 -4.66 115.64 109.55 3hhu s THR 176 Ca 0.03 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 3hhu s THR 176 Cb -0.13 -1.91 0.00 0.00 1.34 0.00 0.00 72.50 71.80 3hhu s THR 176 CO -0.11 -0.69 0.00 0.61 -0.54 0.00 0.00 174.62 173.89 3hhu n GLY 177 N -0.21 3.09 2.24 3.99 0.00 -1.26 -4.89 105.19 108.15 3hhu n GLY 177 Ca -0.10 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.74 3hhu n GLY 177 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3hhu n GLU 178 N -1.21 0.91 -1.93 1.61 2.13 -1.26 -5.12 120.64 115.77 3hhu n GLU 178 Ca 0.00 -3.21 -0.42 0.00 0.66 0.00 0.00 57.16 54.20 3hhu n GLU 178 Cb 0.00 -1.55 -0.03 0.00 0.27 0.00 0.00 31.44 30.14 3hhu n GLU 178 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 3hhu s PRO 179 N -1.90 4.22 0.26 5.31 0.04 -1.26 -5.01 135.00 136.66 3hhu s PRO 179 Ca 0.37 2.38 -0.02 0.00 0.04 0.00 0.00 61.00 63.78 3hhu s PRO 179 Cb 0.30 -3.12 -0.04 0.00 0.04 0.00 0.00 34.50 31.68 3hhu s PRO 179 CO -0.09 -0.55 0.48 0.00 0.04 0.00 0.00 177.00 176.88 3hhu s MET 180 N 0.39 3.54 0.03 4.56 0.23 -1.26 -5.02 119.30 121.78 3hhu s MET 180 Ca 0.66 -0.25 -0.25 0.00 -1.03 0.00 0.00 55.69 54.82 3hhu s MET 180 Cb -0.44 -2.74 -0.17 0.00 -1.53 0.00 0.00 34.83 29.95 3hhu s MET 180 CO 0.38 0.29 1.47 0.78 -2.03 0.00 0.00 175.02 175.90 3hhu h GLY 181 N 1.58 -0.16 -5.75 3.16 0.00 -1.96 -3.47 103.07 96.47 3hhu h GLY 181 Ca -0.48 0.06 0.13 0.00 0.00 0.00 0.00 47.33 47.03 3hhu h GLY 181 CO 0.66 -0.06 0.64 -1.60 0.00 0.00 0.00 176.54 176.18 3hhu s ARG 182 N -5.22 0.28 0.00 4.80 3.52 -1.25 -4.86 118.95 116.22 3hhu s ARG 182 Ca -0.15 0.35 0.00 0.00 -0.13 0.00 0.00 55.73 55.81 3hhu s ARG 182 Cb 0.04 0.13 0.00 0.00 -1.56 0.00 0.00 34.95 33.55 3hhu s ARG 182 CO 0.64 -0.04 0.00 0.41 -0.81 0.00 0.00 175.30 175.50 3hhu n GLY 183 N 2.14 0.79 2.85 8.12 0.00 -0.37 -4.44 105.19 114.28 3hhu n GLY 183 Ca -0.12 -1.83 -0.13 0.00 0.00 0.00 0.00 46.02 43.93 3hhu n GLY 183 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hhu s THR 184 N -2.82 -0.02 -0.16 2.61 2.01 -0.86 -0.86 115.64 115.54 3hhu s THR 184 Ca 0.00 0.09 -0.00 0.00 0.31 0.00 0.00 61.69 62.09 3hhu s THR 184 Cb 0.00 -0.07 -0.00 0.00 0.01 0.00 0.00 72.50 72.44 3hhu s THR 184 CO 0.00 0.04 -0.15 -0.54 -0.69 0.00 0.00 174.62 173.28 3hhu s LYS 185 N 0.48 3.21 -0.28 4.92 1.02 0.13 -1.10 119.74 128.11 3hhu s LYS 185 Ca -0.04 -0.75 -0.07 0.00 0.02 0.00 0.00 55.97 55.13 3hhu s LYS 185 Cb -0.06 -2.66 -0.00 0.00 -0.52 0.00 0.00 37.83 34.59 3hhu s LYS 185 CO -0.02 -0.03 0.09 0.08 -0.92 0.00 0.00 175.35 174.55 3hhu s VAL 186 N 0.92 4.15 -0.34 3.17 1.01 -0.01 -0.66 120.40 128.64 3hhu s VAL 186 Ca -0.03 -0.49 -0.11 0.00 0.00 0.00 0.00 61.98 61.34 3hhu s VAL 186 Cb -0.15 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.16 3hhu s VAL 186 CO -0.02 0.16 0.20 -0.63 0.00 0.00 0.00 175.10 174.81 3hhu s ILE 187 N 1.55 4.80 -0.40 2.22 1.01 0.58 -0.84 121.20 130.12 3hhu s ILE 187 Ca 0.04 -0.50 -0.17 0.00 0.00 0.00 0.00 60.65 60.02 3hhu s ILE 187 Cb -0.16 -3.53 0.01 0.00 0.01 0.00 0.00 42.46 38.79 3hhu s ILE 187 CO 0.03 -0.05 0.44 -0.76 0.00 0.00 0.00 174.94 174.59 3hhu s LEU 188 N 1.63 4.73 -0.73 2.97 1.43 0.66 -1.78 118.68 127.59 3hhu s LEU 188 Ca 0.04 -0.53 -0.22 0.00 -1.03 0.00 0.00 54.13 52.39 3hhu s LEU 188 Cb -0.18 -2.41 0.08 0.00 0.03 0.00 0.00 46.19 43.71 3hhu s LEU 188 CO 0.08 -0.53 1.05 -1.00 0.23 0.00 0.00 176.35 176.17 3hhu s HIS 189 N 2.16 2.70 0.47 0.29 3.76 -0.44 -1.61 115.29 122.62 3hhu s HIS 189 Ca 0.13 -0.66 -0.22 0.00 -0.15 0.00 0.00 55.06 54.15 3hhu s HIS 189 Cb -0.17 -4.35 -0.07 0.00 1.11 0.00 0.00 32.58 29.10 3hhu s HIS 189 CO 0.13 -1.68 1.14 -0.51 -0.85 0.00 0.00 174.74 172.98 3hhu s LEU 190 N 4.04 3.97 0.73 0.89 1.43 -0.93 -0.96 118.68 127.86 3hhu s LEU 190 Ca 0.26 2.24 -0.15 0.00 -1.03 0.00 0.00 54.13 55.45 3hhu s LEU 190 Cb -0.13 -4.31 0.04 0.00 0.03 0.00 0.00 46.19 41.82 3hhu s LEU 190 CO 0.06 -0.92 1.24 -0.54 0.23 0.00 0.00 176.35 176.42 3hhu s LYS 191 N -2.80 2.10 0.42 1.70 1.02 0.05 -4.59 119.74 117.65 3hhu s LYS 191 Ca 0.65 1.87 0.13 0.00 0.02 0.00 0.00 55.97 58.63 3hhu s LYS 191 Cb -0.27 -1.82 0.99 0.00 -0.52 0.00 0.00 37.83 36.22 3hhu s LYS 191 CO 0.32 -1.89 1.97 1.49 -0.92 0.00 0.00 175.35 176.32 3hhu h GLU 192 N -0.22 0.44 -0.65 1.68 4.81 -1.95 -1.90 114.58 116.79 3hhu h GLU 192 Ca -0.48 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 3hhu h GLU 192 Cb 1.31 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.59 3hhu h GLU 192 CO 0.50 0.29 0.00 -0.40 -0.73 0.00 0.00 179.01 178.67 3hhu n ASP 193 N -4.47 3.90 -0.77 1.04 5.75 -1.26 -4.23 116.55 116.50 3hhu n ASP 193 Ca 0.10 -2.19 0.03 0.00 -0.01 0.00 0.00 54.79 52.72 3hhu n ASP 193 Cb 0.37 -0.49 0.20 0.00 -1.03 0.00 0.00 41.12 40.17 3hhu n ASP 193 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hhu n GLN 194 N 1.22 1.81 0.00 0.11 1.13 -0.71 -4.75 117.38 116.18 3hhu n GLN 194 Ca 0.23 -3.08 0.12 0.00 -1.94 0.00 0.00 57.00 52.32 3hhu n GLN 194 Cb 0.68 -1.71 0.60 0.00 0.11 0.00 0.00 30.24 29.92 3hhu n GLN 194 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 3hhu n THR 195 N -1.10 0.24 0.20 5.09 -2.24 -1.26 -3.04 114.28 112.18 3hhu n THR 195 Ca 0.24 0.06 0.16 0.00 -2.27 0.00 0.00 64.05 62.25 3hhu n THR 195 Cb 0.84 -0.68 0.80 0.00 -2.10 0.00 0.00 70.33 69.20 3hhu n THR 195 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 3hhu h GLU 196 N 0.00 0.00 -0.02 -0.78 4.11 -1.95 -1.30 114.58 114.65 3hhu h GLU 196 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3hhu h GLU 196 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3hhu h GLU 196 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 179.01 179.74 3hhu n TYR 197 N -3.95 0.03 0.96 2.06 4.01 -1.17 -1.92 117.16 117.18 3hhu n TYR 197 Ca 0.01 -0.01 0.11 0.00 -0.16 0.00 0.00 57.90 57.85 3hhu n TYR 197 Cb 0.30 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.34 3hhu n TYR 197 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3hhu n LEU 198 N -0.59 2.13 -4.72 7.72 4.77 -0.49 -4.80 117.00 121.02 3hhu n LEU 198 Ca 0.09 -0.80 -0.39 0.00 -0.03 0.00 0.00 56.01 54.88 3hhu n LEU 198 Cb 0.06 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.10 3hhu n LEU 198 CO 0.07 0.39 0.37 -1.61 -1.33 0.00 0.00 177.39 175.28 3hhu s GLU 199 N -2.33 4.43 0.22 3.23 2.02 -0.81 -4.86 118.70 120.60 3hhu s GLU 199 Ca 0.19 0.83 -0.07 0.00 0.02 0.00 0.00 54.97 55.94 3hhu s GLU 199 Cb 0.18 -3.44 0.31 0.00 0.10 0.00 0.00 34.13 31.27 3hhu s GLU 199 CO 0.51 0.08 1.80 1.49 0.02 0.00 0.00 175.26 179.16 3hhu h GLU 200 N 6.74 0.67 -0.56 1.61 4.81 -1.93 -1.27 114.58 124.65 3hhu h GLU 200 Ca -0.41 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 58.74 3hhu h GLU 200 Cb 1.19 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.40 3hhu h GLU 200 CO 0.75 0.45 0.18 0.00 -0.73 0.00 0.00 179.01 179.66 3hhu h ARG 201 N 0.69 0.83 -0.16 1.92 3.08 -1.94 -1.22 114.38 117.58 3hhu h ARG 201 Ca 0.34 -0.15 -0.12 0.00 0.07 0.00 0.00 59.98 60.12 3hhu h ARG 201 Cb 0.28 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3hhu h ARG 201 CO -0.22 0.71 -0.37 -0.09 -1.07 0.00 0.00 179.97 178.93 3hhu h ARG 202 N 0.81 0.53 -0.35 0.04 9.65 -1.60 -2.10 114.38 121.35 3hhu h ARG 202 Ca 0.19 -0.36 -0.02 0.00 -1.10 0.00 0.00 59.98 58.69 3hhu h ARG 202 Cb 0.23 0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.84 3hhu h ARG 202 CO -0.01 0.97 0.13 0.82 2.80 0.00 0.00 179.97 184.68 3hhu h ILE 203 N 0.16 1.19 -0.98 1.20 2.04 -1.08 -1.92 117.51 118.12 3hhu h ILE 203 Ca -0.00 -0.60 0.03 0.00 1.00 0.00 0.00 64.86 65.29 3hhu h ILE 203 Cb 0.97 0.93 -0.06 0.00 -0.74 0.00 0.00 36.82 37.93 3hhu h ILE 203 CO 0.08 0.21 0.65 0.11 0.00 0.00 0.00 178.15 179.20 3hhu h LYS 204 N 0.42 1.23 -0.55 2.37 1.57 -1.25 -1.21 116.57 119.16 3hhu h LYS 204 Ca 0.12 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 3hhu h LYS 204 Cb 0.20 -0.28 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 3hhu h LYS 204 CO -0.01 0.81 0.26 1.49 -0.57 0.00 0.00 179.45 181.44 3hhu h GLU 205 N 1.27 0.80 -0.20 3.15 4.81 -1.01 -1.71 114.58 121.68 3hhu h GLU 205 Ca 0.38 -0.12 -0.19 0.00 -0.13 0.00 0.00 59.36 59.30 3hhu h GLU 205 Cb -0.04 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.20 3hhu h GLU 205 CO -0.11 0.66 -0.65 0.82 -0.73 0.00 0.00 179.01 178.99 3hhu h ILE 206 N 0.74 1.30 -0.54 2.32 2.04 -0.94 -1.64 117.51 120.79 3hhu h ILE 206 Ca 0.19 -1.88 -0.03 0.00 1.00 0.00 0.00 64.86 64.14 3hhu h ILE 206 Cb 0.12 1.83 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 3hhu h ILE 206 CO -0.02 0.59 0.22 0.58 0.00 0.00 0.00 178.15 179.52 3hhu h VAL 207 N 0.53 1.21 -0.05 1.67 2.07 -1.16 -1.58 116.25 118.95 3hhu h VAL 207 Ca -0.01 -0.66 -0.09 0.00 0.82 0.00 0.00 66.70 66.75 3hhu h VAL 207 Cb 1.25 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 3hhu h VAL 207 CO 0.13 0.25 -0.41 0.50 0.02 0.00 0.00 177.57 178.06 3hhu h LYS 208 N 0.73 0.10 -0.03 1.57 3.64 -1.21 -0.09 116.57 121.28 3hhu h LYS 208 Ca 0.18 -0.04 -0.22 0.00 -1.27 0.00 0.00 60.65 59.30 3hhu h LYS 208 Cb 0.18 -0.00 0.02 0.00 -0.41 0.00 0.00 32.23 32.02 3hhu h LYS 208 CO -0.02 0.49 -0.82 -0.22 -2.27 0.00 0.00 179.45 176.62 3hhu h LYS 209 N 0.08 0.61 0.00 1.90 3.64 -1.04 -3.39 116.57 118.37 3hhu h LYS 209 Ca 0.01 -0.62 0.00 0.00 -1.27 0.00 0.00 60.65 58.77 3hhu h LYS 209 Cb 0.76 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 3hhu h LYS 209 CO 0.06 1.22 -0.77 0.72 -2.27 0.00 0.00 179.45 178.41 3hhu n HIS 210 N -4.02 0.00 -1.75 1.91 8.25 -0.62 -4.79 115.22 114.21 3hhu n HIS 210 Ca -0.10 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.41 3hhu n HIS 210 Cb 0.77 0.00 0.11 0.00 1.12 0.00 0.00 29.99 32.00 3hhu n HIS 210 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3hhu n SER 211 N -1.36 1.41 0.05 0.41 7.64 -0.07 -4.84 113.62 116.87 3hhu n SER 211 Ca 0.00 -2.94 0.12 0.00 1.01 0.00 0.00 58.87 57.06 3hhu n SER 211 Cb 0.00 -0.40 0.47 0.00 -1.01 0.00 0.00 64.21 63.27 3hhu n SER 211 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hhu n GLN 212 N -0.63 0.10 -0.18 1.43 0.00 -1.06 -3.08 117.38 113.97 3hhu n GLN 212 Ca 0.12 0.20 0.07 0.00 0.00 0.00 0.00 57.00 57.39 3hhu n GLN 212 Cb 0.79 -1.65 0.17 0.00 0.00 0.00 0.00 30.24 29.55 3hhu n GLN 212 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 3hhu n PHE 213 N -1.83 0.47 -1.90 2.61 3.72 -1.26 -5.01 117.46 114.26 3hhu n PHE 213 Ca 0.05 -0.41 -0.41 0.00 -0.05 0.00 0.00 57.45 56.63 3hhu n PHE 213 Cb 0.30 -0.02 -0.00 0.00 -0.94 0.00 0.00 39.48 38.82 3hhu n PHE 213 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3hhu s ILE 214 N -1.03 2.26 -0.43 4.37 -1.09 -1.18 -4.90 121.20 119.20 3hhu s ILE 214 Ca 0.26 0.25 0.07 0.00 -2.23 0.00 0.00 60.65 59.01 3hhu s ILE 214 Cb 0.14 -3.16 0.53 0.00 -1.58 0.00 0.00 42.46 38.39 3hhu s ILE 214 CO 0.19 0.06 1.43 0.61 -1.23 0.00 0.00 174.94 176.00 3hhu n GLY 215 N 0.57 2.86 3.04 6.18 0.00 -1.26 -4.82 105.19 111.76 3hhu n GLY 215 Ca 0.02 -0.66 -0.09 0.00 0.00 0.00 0.00 46.02 45.29 3hhu n GLY 215 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hhu s TYR 216 N -2.21 0.30 0.28 1.61 2.02 -1.26 -5.12 117.35 112.97 3hhu s TYR 216 Ca 0.38 -0.63 -0.29 0.00 -0.37 0.00 0.00 57.07 56.15 3hhu s TYR 216 Cb 0.30 -0.22 -0.10 0.00 -0.40 0.00 0.00 41.96 41.54 3hhu s TYR 216 CO 0.10 -0.28 1.35 -1.25 -1.57 0.00 0.00 175.55 173.90 3hhu s PRO 217 N -2.28 4.33 -0.25 -1.71 0.04 -1.26 -4.85 135.00 129.02 3hhu s PRO 217 Ca -0.08 2.21 -0.01 0.00 0.04 0.00 0.00 61.00 63.16 3hhu s PRO 217 Cb -0.04 -3.11 0.03 0.00 0.04 0.00 0.00 34.50 31.42 3hhu s PRO 217 CO -0.04 -0.27 -0.06 0.42 0.04 0.00 0.00 177.00 177.09 3hhu s ILE 218 N -0.53 2.85 -0.21 0.56 1.01 -1.26 -1.43 121.20 122.20 3hhu s ILE 218 Ca 0.54 -1.09 -0.05 0.00 0.00 0.00 0.00 60.65 60.05 3hhu s ILE 218 Cb -0.40 -2.48 -0.03 0.00 0.01 0.00 0.00 42.46 39.57 3hhu s ILE 218 CO 0.47 0.16 0.01 -0.89 0.00 0.00 0.00 174.94 174.69 3hhu s THR 219 N 1.31 4.03 -0.34 2.92 2.01 -0.35 -4.99 115.64 120.22 3hhu s THR 219 Ca -0.01 -0.28 -0.18 0.00 0.31 0.00 0.00 61.69 61.53 3hhu s THR 219 Cb -0.17 -2.83 -0.01 0.00 0.01 0.00 0.00 72.50 69.50 3hhu s THR 219 CO -0.04 0.41 0.52 -0.22 -0.69 0.00 0.00 174.62 174.60 3hhu s LEU 220 N 1.09 4.32 0.50 4.42 2.96 -1.26 -0.64 118.68 130.06 3hhu s LEU 220 Ca 0.03 0.02 -0.21 0.00 -0.22 0.00 0.00 54.13 53.75 3hhu s LEU 220 Cb -0.14 -2.60 -0.07 0.00 0.50 0.00 0.00 46.19 43.88 3hhu s LEU 220 CO 0.02 -0.47 1.13 -0.36 -1.32 0.00 0.00 176.35 175.35 3hhu s PHE 221 N 2.40 2.81 0.08 5.38 0.40 -0.10 -4.97 117.98 123.97 3hhu s PHE 221 Ca 0.19 1.55 -0.11 0.00 -0.60 0.00 0.00 56.93 57.96 3hhu s PHE 221 Cb -0.15 -3.30 -0.06 0.00 0.51 0.00 0.00 43.02 40.02 3hhu s PHE 221 CO 0.13 -1.44 0.42 0.08 0.70 0.00 0.00 175.22 175.12 3hhu s VAL 222 N -1.70 5.05 0.21 -0.44 1.01 -1.26 -4.65 120.40 118.63 3hhu s VAL 222 Ca 0.68 0.58 -0.24 0.00 0.00 0.00 0.00 61.98 63.00 3hhu s VAL 222 Cb -0.25 -3.67 -0.08 0.00 0.00 0.00 0.00 36.38 32.38 3hhu s VAL 222 CO 0.29 0.33 0.79 -1.61 0.00 0.00 0.00 175.10 174.91 3hhu s GLU 223 N -1.77 4.47 0.00 2.72 2.02 -1.26 -5.03 118.70 119.85 3hhu s GLU 223 Ca 0.32 1.10 0.29 0.00 0.02 0.00 0.00 54.97 56.70 3hhu s GLU 223 Cb -0.15 -3.05 1.74 0.00 0.10 0.00 0.00 34.13 32.77 3hhu s GLU 223 CO 0.17 0.46 2.08 1.63 0.02 0.00 0.00 175.26 179.62