#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hiy n THR 2 N 0.00 0.00 -3.51 0.00 -1.04 -0.23 -4.46 114.28 105.03 2hiy n THR 2 Ca 0.00 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.64 2hiy n THR 2 Cb 0.00 0.00 -0.07 0.00 -1.82 0.00 0.00 70.33 68.44 2hiy n THR 2 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 2hiy s ARG 3 N -0.92 4.17 0.12 -2.82 6.06 -1.26 -1.19 118.95 123.10 2hiy s ARG 3 Ca 0.00 0.19 0.09 0.00 -2.50 0.00 0.00 55.73 53.52 2hiy s ARG 3 Cb 0.00 -3.38 -0.04 0.00 0.06 0.00 0.00 34.95 31.59 2hiy s ARG 3 CO 0.00 0.33 -0.23 0.71 -2.50 0.00 0.00 175.30 173.61 2hiy s TYR 4 N 0.16 1.99 -0.14 5.12 2.02 0.62 -1.16 117.35 125.96 2hiy s TYR 4 Ca 0.19 -0.41 -0.03 0.00 -0.37 0.00 0.00 57.07 56.45 2hiy s TYR 4 Cb -0.14 -1.07 -0.03 0.00 -0.40 0.00 0.00 41.96 40.32 2hiy s TYR 4 CO 0.06 0.27 -0.03 0.00 -1.57 0.00 0.00 175.55 174.29 2hiy s ALA 5 N -1.22 3.06 -0.24 3.71 0.00 0.54 -1.50 121.76 126.11 2hiy s ALA 5 Ca 0.10 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.26 2hiy s ALA 5 Cb -0.10 -1.53 0.04 0.00 0.00 0.00 0.00 23.12 21.54 2hiy s ALA 5 CO 0.05 0.31 -0.12 -1.17 0.00 0.00 0.00 175.76 174.82 2hiy s LEU 6 N 0.06 3.03 -0.07 0.00 2.96 0.12 -1.30 118.68 123.48 2hiy s LEU 6 Ca 0.00 -1.08 0.05 0.00 -0.22 0.00 0.00 54.13 52.89 2hiy s LEU 6 Cb -0.13 -1.56 -0.01 0.00 0.50 0.00 0.00 46.19 44.99 2hiy s LEU 6 CO 0.03 -0.13 -0.23 -0.76 -1.32 0.00 0.00 176.35 173.94 2hiy s LEU 7 N 1.20 2.21 0.07 -0.68 1.43 0.02 -0.92 118.68 122.00 2hiy s LEU 7 Ca -0.03 -0.46 0.07 0.00 -1.03 0.00 0.00 54.13 52.68 2hiy s LEU 7 Cb -0.17 -1.42 -0.03 0.00 0.03 0.00 0.00 46.19 44.60 2hiy s LEU 7 CO -0.07 0.24 -0.19 0.68 0.23 0.00 0.00 176.35 177.25 2hiy s VAL 8 N -0.15 1.50 0.17 -1.59 -7.23 -0.61 -0.61 120.40 111.88 2hiy s VAL 8 Ca -0.03 -1.31 0.04 0.00 -1.81 0.00 0.00 61.98 58.86 2hiy s VAL 8 Cb -0.14 -1.35 -0.04 0.00 0.56 0.00 0.00 36.38 35.42 2hiy s VAL 8 CO 0.04 0.00 0.25 0.00 -0.31 0.00 0.00 175.10 175.08 2hiy s ARG 9 N -1.53 3.28 0.00 4.82 1.70 -1.26 -4.56 118.95 121.39 2hiy s ARG 9 Ca 0.05 -0.71 0.00 0.00 -0.47 0.00 0.00 55.73 54.59 2hiy s ARG 9 Cb -0.09 -2.85 0.00 0.00 -0.57 0.00 0.00 34.95 31.43 2hiy s ARG 9 CO 0.03 0.49 0.00 0.41 -1.08 0.00 0.00 175.30 175.15 2hiy n GLY 10 N -0.65 0.54 3.94 3.88 0.00 -1.26 -4.90 105.19 106.74 2hiy n GLY 10 Ca -0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 2hiy n GLY 10 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2hiy s ILE 11 N -2.08 5.18 -1.40 -0.61 -4.36 -1.26 -4.52 121.20 112.15 2hiy s ILE 11 Ca 0.00 -0.53 -0.04 0.00 -0.26 0.00 0.00 60.65 59.82 2hiy s ILE 11 Cb 0.00 -3.80 0.03 0.00 1.25 0.00 0.00 42.46 39.94 2hiy s ILE 11 CO 0.00 -0.33 0.72 0.59 0.24 0.00 0.00 174.94 176.16 2hiy n ASN 12 N -1.19 -1.99 -3.95 4.36 3.02 0.22 -4.83 115.26 110.90 2hiy n ASN 12 Ca -0.06 -0.85 -0.09 0.00 -0.03 0.00 0.00 54.58 53.55 2hiy n ASN 12 Cb 0.55 -3.78 -0.10 0.00 -0.61 0.00 0.00 39.78 35.84 2hiy n ASN 12 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2hiy s VAL 13 N -3.62 0.13 0.00 2.41 0.11 -1.26 -4.94 120.40 113.22 2hiy s VAL 13 Ca 0.20 -1.04 0.00 0.00 -2.93 0.00 0.00 61.98 58.21 2hiy s VAL 13 Cb -0.10 -0.68 0.00 0.00 -1.53 0.00 0.00 36.38 34.07 2hiy s VAL 13 CO 0.84 -0.57 0.00 0.61 -3.33 0.00 0.00 175.10 172.64 2hiy n GLY 14 N 1.08 0.55 0.00 6.54 0.00 -1.26 -4.38 105.19 107.72 2hiy n GLY 14 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2hiy n GLY 14 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2hiy n LYS 16 N 0.00 0.00 -3.68 1.61 2.85 -1.26 -5.15 118.16 112.53 2hiy n LYS 16 Ca 0.00 0.00 -0.21 0.00 -1.05 0.00 0.00 58.31 57.05 2hiy n LYS 16 Cb 0.00 0.00 0.04 0.00 -0.65 0.00 0.00 35.03 34.42 2hiy n LYS 16 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2hiy n ASN 17 N 0.00 -1.44 -4.71 -5.58 4.13 -1.26 -3.22 115.26 103.18 2hiy n ASN 17 Ca 0.00 -0.82 -0.42 0.00 1.68 0.00 0.00 54.58 55.02 2hiy n ASN 17 Cb 0.00 -4.09 -0.03 0.00 -1.54 0.00 0.00 39.78 34.12 2hiy n ASN 17 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 2hiy s LYS 18 N -5.92 4.54 -0.08 3.52 2.20 -1.26 -0.61 119.74 122.13 2hiy s LYS 18 Ca 0.03 1.45 -0.01 0.00 -0.36 0.00 0.00 55.97 57.08 2hiy s LYS 18 Cb -0.01 -3.46 0.03 0.00 -1.51 0.00 0.00 37.83 32.88 2hiy s LYS 18 CO 0.81 -0.09 -0.01 0.08 -0.36 0.00 0.00 175.35 175.78 2hiy s VAL 19 N 1.08 0.49 0.00 4.02 1.01 -1.26 -4.94 120.40 120.79 2hiy s VAL 19 Ca 0.52 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.55 2hiy s VAL 19 Cb -0.22 -0.61 0.00 0.00 0.00 0.00 0.00 36.38 35.55 2hiy s VAL 19 CO 0.27 0.27 0.00 0.52 0.00 0.00 0.00 175.10 176.17 2hiy n VAL 20 N 5.05 0.00 0.00 2.92 0.31 -1.26 -4.92 118.33 120.43 2hiy n VAL 20 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 2hiy n VAL 20 Cb 0.50 -1.54 0.00 0.00 -0.91 0.00 0.00 33.84 31.89 2hiy n VAL 20 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2hiy n ALA 22 N -3.00 0.00 -0.05 3.52 0.00 -1.26 -1.27 120.51 118.46 2hiy n ALA 22 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 2hiy n ALA 22 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 2hiy n ALA 22 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2hiy h GLU 23 N 0.00 0.35 -0.70 0.00 5.08 -1.99 -2.59 114.58 114.72 2hiy h GLU 23 Ca 0.00 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 2hiy h GLU 23 Cb 0.00 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 2hiy h GLU 23 CO 0.00 0.79 0.38 1.25 -1.00 0.00 0.00 179.01 180.44 2hiy h LEU 24 N -0.07 0.88 -0.83 1.33 5.85 -1.58 -0.19 115.31 120.70 2hiy h LEU 24 Ca 0.01 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 2hiy h LEU 24 Cb 0.76 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.53 2hiy h LEU 24 CO 0.04 0.72 0.42 0.03 -0.34 0.00 0.00 178.44 179.32 2hiy h ARG 25 N 0.97 1.19 -0.35 1.25 3.08 -1.81 0.39 114.38 119.10 2hiy h ARG 25 Ca 0.25 -0.16 -0.16 0.00 0.07 0.00 0.00 59.98 59.97 2hiy h ARG 25 Cb 0.04 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 2hiy h ARG 25 CO -0.04 0.90 -0.42 0.37 -1.07 0.00 0.00 179.97 179.71 2hiy h GLN 26 N 1.18 0.87 -0.57 0.04 5.75 -1.03 -1.08 115.11 120.26 2hiy h GLN 26 Ca 0.29 -0.47 -0.02 0.00 -0.15 0.00 0.00 58.65 58.30 2hiy h GLN 26 Cb 0.09 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.63 2hiy h GLN 26 CO -0.04 1.11 0.28 0.93 -2.65 0.00 0.00 178.83 178.47 2hiy h GLU 27 N 0.70 0.81 -0.23 1.69 5.08 -0.66 0.78 114.58 122.74 2hiy h GLU 27 Ca 0.05 -0.11 -0.10 0.00 -1.00 0.00 0.00 59.36 58.20 2hiy h GLU 27 Cb 1.00 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 2hiy h GLU 27 CO 0.10 0.65 -0.29 -0.07 -1.00 0.00 0.00 179.01 178.39 2hiy h LEU 28 N 0.77 0.47 -0.44 1.33 3.38 -0.86 0.37 115.31 120.32 2hiy h LEU 28 Ca 0.20 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2hiy h LEU 28 Cb 0.10 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2hiy h LEU 28 CO -0.03 0.74 0.25 0.74 0.09 0.00 0.00 178.44 180.24 2hiy h THR 29 N 0.40 1.15 -0.47 0.22 2.02 -0.76 -1.75 112.91 113.73 2hiy h THR 29 Ca 0.05 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 2hiy h THR 29 Cb 0.72 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.70 2hiy h THR 29 CO 0.05 0.16 0.23 0.78 0.37 0.00 0.00 175.52 177.11 2hiy h ASN 30 N 0.58 0.58 0.50 4.18 2.35 -0.33 -1.36 115.58 122.08 2hiy h ASN 30 Ca 0.16 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 2hiy h ASN 30 Cb 0.04 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 38.26 2hiy h ASN 30 CO -0.03 0.49 0.00 0.25 -1.65 0.00 0.00 177.43 176.50 2hiy h LEU 31 N 0.65 0.00 0.00 1.61 5.85 -0.59 -3.46 115.31 119.37 2hiy h LEU 31 Ca 0.17 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.89 2hiy h LEU 31 Cb 0.06 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.09 2hiy h LEU 31 CO -0.02 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 178.69 2hiy n GLY 32 N -0.52 1.07 3.84 3.75 0.00 -0.51 -5.08 105.19 107.73 2hiy n GLY 32 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 2hiy n GLY 32 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hiy s LEU 33 N 0.00 3.98 0.14 0.99 1.43 -0.69 -5.00 118.68 119.53 2hiy s LEU 33 Ca 0.00 1.48 0.08 0.00 -1.03 0.00 0.00 54.13 54.66 2hiy s LEU 33 Cb 0.00 -4.31 -0.04 0.00 0.03 0.00 0.00 46.19 41.86 2hiy s LEU 33 CO 0.00 -0.30 -0.10 -1.61 0.23 0.00 0.00 176.35 174.57 2hiy s GLU 34 N -3.15 2.07 -1.32 1.70 2.02 -0.49 -4.17 118.70 115.36 2hiy s GLU 34 Ca 0.58 -1.15 -0.02 0.00 0.02 0.00 0.00 54.97 54.39 2hiy s GLU 34 Cb -0.10 -2.22 -0.00 0.00 0.10 0.00 0.00 34.13 31.91 2hiy s GLU 34 CO 0.16 0.47 0.61 1.63 0.02 0.00 0.00 175.26 178.15 2hiy n LYS 35 N 0.39 -3.83 -2.60 1.61 5.02 -1.26 -0.40 118.16 117.08 2hiy n LYS 35 Ca -0.12 0.53 -0.42 0.00 -2.02 0.00 0.00 58.31 56.27 2hiy n LYS 35 Cb 0.54 -4.83 -0.03 0.00 -0.02 0.00 0.00 35.03 30.69 2hiy n LYS 35 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2hiy s VAL 36 N -3.75 4.59 0.15 -0.18 1.01 -1.26 -4.42 120.40 116.53 2hiy s VAL 36 Ca 0.06 1.87 0.05 0.00 0.00 0.00 0.00 61.98 63.96 2hiy s VAL 36 Cb -0.02 -4.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 2hiy s VAL 36 CO 0.84 0.03 -0.11 -1.61 0.00 0.00 0.00 175.10 174.26 2hiy s GLU 37 N 1.88 1.09 0.11 2.72 2.02 0.03 -4.98 118.70 121.57 2hiy s GLU 37 Ca 0.52 -1.46 0.02 0.00 0.02 0.00 0.00 54.97 54.07 2hiy s GLU 37 Cb -0.21 -0.70 -0.04 0.00 0.10 0.00 0.00 34.13 33.27 2hiy s GLU 37 CO 0.21 0.09 -0.06 -1.54 0.02 0.00 0.00 175.26 173.99 2hiy s SER 38 N -3.15 1.17 -0.09 -0.19 1.04 -1.26 -0.70 113.70 110.53 2hiy s SER 38 Ca 0.17 -1.03 0.02 0.00 0.48 0.00 0.00 55.95 55.58 2hiy s SER 38 Cb 0.02 0.10 0.02 0.00 0.10 0.00 0.00 66.02 66.25 2hiy s SER 38 CO 0.01 -0.48 -0.13 -0.47 0.98 0.00 0.00 173.24 173.16 2hiy s TYR 39 N -3.62 1.69 0.00 5.02 5.04 -0.04 -5.01 117.35 120.44 2hiy s TYR 39 Ca 0.14 -0.73 0.00 0.00 -2.44 0.00 0.00 57.07 54.04 2hiy s TYR 39 Cb 0.05 -1.25 0.00 0.00 0.35 0.00 0.00 41.96 41.11 2hiy s TYR 39 CO -0.03 -0.39 0.00 0.44 -1.34 0.00 0.00 175.55 174.22 2hiy n ILE 40 N 4.13 0.00 -0.40 3.14 -5.35 -1.26 -4.05 119.36 115.57 2hiy n ILE 40 Ca -0.20 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.28 2hiy n ILE 40 Cb 0.51 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.41 2hiy n ILE 40 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2hiy n ASN 41 N -3.28 0.92 -0.29 7.28 5.15 -1.26 -4.72 115.26 119.05 2hiy n ASN 41 Ca 0.00 -1.32 0.13 0.00 -0.60 0.00 0.00 54.58 52.80 2hiy n ASN 41 Cb 0.00 0.00 0.47 0.00 -0.53 0.00 0.00 39.78 39.72 2hiy n ASN 41 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 2hiy n SER 42 N -0.16 1.07 0.00 1.20 3.41 -1.26 -4.70 113.62 113.18 2hiy n SER 42 Ca 0.00 -1.04 0.00 0.00 -0.26 0.00 0.00 58.87 57.57 2hiy n SER 42 Cb 0.23 0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.25 2hiy n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2hiy n GLY 43 N 1.27 0.78 2.87 5.00 0.00 -1.26 -4.61 105.19 109.25 2hiy n GLY 43 Ca 0.15 -0.79 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 2hiy n GLY 43 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2hiy s ASN 44 N -1.55 4.26 0.01 1.61 0.01 -1.26 -1.58 114.94 116.44 2hiy s ASN 44 Ca 0.00 -1.74 0.06 0.00 -0.71 0.00 0.00 52.86 50.47 2hiy s ASN 44 Cb 0.00 -1.20 -0.03 0.00 0.41 0.00 0.00 41.25 40.43 2hiy s ASN 44 CO 0.00 -0.37 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.42 2hiy s ILE 45 N 1.32 2.88 -0.02 0.60 -1.09 -0.10 -0.86 121.20 123.92 2hiy s ILE 45 Ca 0.07 -1.03 0.03 0.00 -2.23 0.00 0.00 60.65 57.50 2hiy s ILE 45 Cb -0.18 -2.18 -0.00 0.00 -1.58 0.00 0.00 42.46 38.52 2hiy s ILE 45 CO -0.15 0.42 -0.11 -0.36 -1.23 0.00 0.00 174.94 173.50 2hiy s PHE 46 N -0.86 1.12 0.18 3.97 0.08 0.13 0.11 117.98 122.71 2hiy s PHE 46 Ca 0.14 -0.27 -0.15 0.00 0.12 0.00 0.00 56.93 56.76 2hiy s PHE 46 Cb -0.11 -0.77 0.02 0.00 -0.57 0.00 0.00 43.02 41.60 2hiy s PHE 46 CO 0.04 -0.09 0.46 -0.59 -0.10 0.00 0.00 175.22 174.94 2hiy s PHE 47 N 0.02 0.00 -0.04 0.36 -0.12 -0.57 -0.79 117.98 116.84 2hiy s PHE 47 Ca -0.01 -0.35 0.04 0.00 -0.05 0.00 0.00 56.93 56.57 2hiy s PHE 47 Cb -0.08 0.28 -0.03 0.00 -0.63 0.00 0.00 43.02 42.56 2hiy s PHE 47 CO 0.00 -0.86 -0.15 0.99 -0.05 0.00 0.00 175.22 175.15 2hiy s THR 48 N -3.89 2.96 -0.05 -4.49 2.01 0.46 -0.28 115.64 112.36 2hiy s THR 48 Ca 0.11 -0.79 -0.25 0.00 0.31 0.00 0.00 61.69 61.07 2hiy s THR 48 Cb 0.00 -2.16 0.05 0.00 0.01 0.00 0.00 72.50 70.41 2hiy s THR 48 CO -0.03 0.57 0.55 -0.55 -0.69 0.00 0.00 174.62 174.47 2hiy s SER 49 N -0.78 -0.50 0.00 3.53 0.15 -0.34 -1.40 113.70 114.37 2hiy s SER 49 Ca 0.12 0.55 0.20 0.00 0.70 0.00 0.00 55.95 57.52 2hiy s SER 49 Cb -0.11 0.52 0.18 0.00 -1.71 0.00 0.00 66.02 64.91 2hiy s SER 49 CO 0.01 -0.52 1.16 0.00 1.20 0.00 0.00 173.24 175.09 2hiy n ILE 50 N 1.21 0.06 -1.49 6.45 3.06 -1.26 -1.07 119.36 126.31 2hiy n ILE 50 Ca -0.19 -0.53 -0.33 0.00 -2.50 0.00 0.00 62.75 59.20 2hiy n ILE 50 Cb 0.57 1.37 0.08 0.00 0.54 0.00 0.00 39.64 42.19 2hiy n ILE 50 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 2hiy s ASP 51 N -1.65 4.55 0.56 9.51 -1.08 -1.26 -4.74 116.67 122.56 2hiy s ASP 51 Ca 0.25 2.10 -0.20 0.00 -0.52 0.00 0.00 52.55 54.17 2hiy s ASP 51 Cb 0.17 -2.56 -0.04 0.00 -1.46 0.00 0.00 42.92 39.03 2hiy s ASP 51 CO 0.26 -2.01 1.23 -0.94 0.52 0.00 0.00 175.17 174.22 2hiy s SER 52 N -2.55 5.36 0.29 -0.34 1.04 -1.26 -4.84 113.70 111.40 2hiy s SER 52 Ca 0.68 2.45 -0.02 0.00 0.48 0.00 0.00 55.95 59.54 2hiy s SER 52 Cb -0.23 -2.61 0.43 0.00 0.10 0.00 0.00 66.02 63.72 2hiy s SER 52 CO 0.46 -1.48 1.95 0.50 0.98 0.00 0.00 173.24 175.65 2hiy h LYS 53 N 1.18 1.11 -0.82 4.02 3.64 -1.99 -0.59 116.57 123.13 2hiy h LYS 53 Ca -0.50 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 58.80 2hiy h LYS 53 Cb 1.29 -0.25 -0.04 0.00 -0.41 0.00 0.00 32.23 32.82 2hiy h LYS 53 CO 0.56 0.73 0.47 0.00 -2.27 0.00 0.00 179.45 178.95 2hiy h ALA 54 N 1.47 1.05 -0.56 5.00 0.00 -2.00 0.05 119.26 124.27 2hiy h ALA 54 Ca 0.33 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 2hiy h ALA 54 Cb -0.08 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.36 2hiy h ALA 54 CO -0.08 0.53 0.17 1.96 0.00 0.00 0.00 179.25 181.83 2hiy h GLN 55 N 1.13 0.87 -0.41 0.00 4.20 -1.76 -2.02 115.11 117.12 2hiy h GLN 55 Ca 0.29 -0.19 0.02 0.00 0.06 0.00 0.00 58.65 58.83 2hiy h GLN 55 Cb -0.01 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 27.62 2hiy h GLN 55 CO -0.05 0.80 0.24 -0.07 -0.67 0.00 0.00 178.83 179.08 2hiy h LEU 56 N 0.78 0.39 -0.64 1.46 3.38 -0.50 0.45 115.31 120.62 2hiy h LEU 56 Ca 0.18 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 2hiy h LEU 56 Cb 0.29 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 2hiy h LEU 56 CO -0.00 0.28 0.33 0.58 0.09 0.00 0.00 178.44 179.71 2hiy h VAL 57 N 0.48 1.22 -0.41 1.22 2.07 -0.87 -0.01 116.25 119.95 2hiy h VAL 57 Ca 0.16 -0.58 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 2hiy h VAL 57 Cb 0.01 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 2hiy h VAL 57 CO -0.08 0.24 0.10 -0.08 0.02 0.00 0.00 177.57 177.78 2hiy h GLU 58 N 0.89 0.65 -0.69 1.57 4.22 -1.01 0.12 114.58 120.32 2hiy h GLU 58 Ca 0.22 -0.15 -0.01 0.00 0.08 0.00 0.00 59.36 59.50 2hiy h GLU 58 Cb 0.09 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2hiy h GLU 58 CO -0.03 0.67 0.39 0.87 -2.18 0.00 0.00 179.01 178.72 2hiy h LYS 59 N 0.52 0.97 -0.29 1.92 1.57 -0.66 -1.34 116.57 119.25 2hiy h LYS 59 Ca 0.13 -0.11 -0.17 0.00 -1.87 0.00 0.00 60.65 58.63 2hiy h LYS 59 Cb 0.31 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 2hiy h LYS 59 CO 0.00 0.72 -0.48 -0.07 -0.57 0.00 0.00 179.45 179.05 2hiy h LEU 60 N 0.95 0.86 -0.51 2.94 3.38 -0.75 -0.07 115.31 122.12 2hiy h LEU 60 Ca 0.24 -0.43 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 2hiy h LEU 60 Cb 0.03 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 2hiy h LEU 60 CO -0.04 1.20 0.29 -0.33 0.09 0.00 0.00 178.44 179.65 2hiy h GLU 61 N 0.62 0.70 -0.59 1.13 5.08 -0.77 0.08 114.58 120.84 2hiy h GLU 61 Ca 0.03 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 2hiy h GLU 61 Cb 1.06 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 2hiy h GLU 61 CO 0.11 0.54 0.16 1.15 -1.00 0.00 0.00 179.01 179.96 2hiy h THR 62 N 0.68 1.25 0.21 1.13 2.02 -1.19 -1.54 112.91 115.47 2hiy h THR 62 Ca 0.18 -0.87 -0.01 0.00 0.77 0.00 0.00 66.41 66.48 2hiy h THR 62 Cb 0.03 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 67.13 2hiy h THR 62 CO -0.03 0.32 -0.10 0.15 0.37 0.00 0.00 175.52 176.23 2hiy h PHE 63 N 0.84 -0.26 -0.54 3.16 3.57 -0.66 -2.97 116.94 120.08 2hiy h PHE 63 Ca 0.19 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.62 2hiy h PHE 63 Cb 0.32 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 2hiy h PHE 63 CO 0.02 -0.16 0.11 0.74 -2.23 0.00 0.00 178.31 176.79 2hiy h PHE 64 N -0.29 0.87 -0.20 0.41 0.04 -0.92 -0.91 116.94 115.94 2hiy h PHE 64 Ca -0.03 -0.09 0.05 0.00 2.80 0.00 0.00 57.97 60.70 2hiy h PHE 64 Cb 0.22 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.11 2hiy h PHE 64 CO -0.06 0.74 0.14 0.00 -0.60 0.00 0.00 178.31 178.53 2hiy h ALA 65 N 1.31 2.14 0.03 2.45 0.00 -1.12 -0.03 119.26 124.05 2hiy h ALA 65 Ca 0.17 -0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.78 2hiy h ALA 65 Cb 0.33 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2hiy h ALA 65 CO 0.00 -0.19 -1.60 0.28 0.00 0.00 0.00 179.25 177.74 2hiy n VAL 66 N -4.49 1.60 -0.05 0.00 0.31 -1.05 -4.41 118.33 110.24 2hiy n VAL 66 Ca 0.02 -0.24 -0.09 0.00 -0.01 0.00 0.00 64.34 64.01 2hiy n VAL 66 Cb 0.26 -1.93 -0.15 0.00 -0.91 0.00 0.00 33.84 31.11 2hiy n VAL 66 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 2hiy n HIS 67 N -4.13 0.62 -3.08 3.52 -0.00 -0.37 -4.64 115.22 107.15 2hiy n HIS 67 Ca -0.34 0.22 -0.20 0.00 -0.00 0.00 0.00 57.72 57.40 2hiy n HIS 67 Cb 0.81 -1.12 -0.04 0.00 -0.00 0.00 0.00 29.99 29.64 2hiy n HIS 67 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 2hiy n TYR 68 N -2.94 -1.13 0.30 4.41 4.01 -0.06 -5.01 117.16 116.73 2hiy n TYR 68 Ca -0.23 -3.10 0.09 0.00 -0.16 0.00 0.00 57.90 54.50 2hiy n TYR 68 Cb 1.09 0.14 0.41 0.00 -0.31 0.00 0.00 39.34 40.67 2hiy n TYR 68 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 2hiy n PRO 69 N 1.47 0.11 0.06 -0.72 -0.02 -0.97 -0.99 135.00 133.95 2hiy n PRO 69 Ca 0.18 0.46 0.12 0.00 -2.02 0.00 0.00 63.50 62.24 2hiy n PRO 69 Cb 0.56 -1.77 0.47 0.00 -0.02 0.00 0.00 33.50 32.73 2hiy n PRO 69 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 2hiy n PHE 70 N -1.99 0.49 -2.76 6.00 1.16 -1.26 -4.46 117.46 114.64 2hiy n PHE 70 Ca 0.01 0.16 -0.42 0.00 -1.87 0.00 0.00 57.45 55.33 2hiy n PHE 70 Cb 0.13 -0.76 -0.03 0.00 -1.61 0.00 0.00 39.48 37.21 2hiy n PHE 70 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 2hiy s ILE 71 N -3.10 4.23 -1.44 1.97 1.01 -0.16 -4.81 121.20 118.90 2hiy s ILE 71 Ca 0.10 -0.61 0.12 0.00 0.00 0.00 0.00 60.65 60.26 2hiy s ILE 71 Cb 0.13 -4.83 0.17 0.00 0.01 0.00 0.00 42.46 37.94 2hiy s ILE 71 CO 0.48 -1.65 1.00 0.00 0.00 0.00 0.00 174.94 174.77 2hiy n GLN 72 N 7.96 1.32 -3.64 2.79 6.02 -1.26 -4.72 117.38 125.84 2hiy n GLN 72 Ca 0.12 -1.49 -0.12 0.00 -0.01 0.00 0.00 57.00 55.51 2hiy n GLN 72 Cb 0.48 -1.26 -0.05 0.00 1.02 0.00 0.00 30.24 30.43 2hiy n GLN 72 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2hiy s SER 73 N -1.04 -0.27 0.05 1.08 1.04 -1.26 -5.04 113.70 108.26 2hiy s SER 73 Ca 0.18 -0.15 -0.22 0.00 0.48 0.00 0.00 55.95 56.24 2hiy s SER 73 Cb 0.11 0.45 0.05 0.00 0.10 0.00 0.00 66.02 66.74 2hiy s SER 73 CO 0.16 -0.76 0.52 0.72 0.98 0.00 0.00 173.24 174.86 2hiy s PHE 74 N -3.14 -0.42 -0.10 5.02 -0.12 -1.26 -4.49 117.98 113.48 2hiy s PHE 74 Ca -0.01 0.47 -0.12 0.00 -0.05 0.00 0.00 56.93 57.22 2hiy s PHE 74 Cb 0.01 0.34 -0.05 0.00 -0.63 0.00 0.00 43.02 42.69 2hiy s PHE 74 CO -0.07 -0.64 0.27 -1.12 -0.05 0.00 0.00 175.22 173.61 2hiy s SER 75 N -1.97 6.54 -0.09 1.98 0.01 0.22 -1.00 113.70 119.38 2hiy s SER 75 Ca -0.05 0.64 -0.02 0.00 1.31 0.00 0.00 55.95 57.82 2hiy s SER 75 Cb -0.01 -2.16 0.04 0.00 0.21 0.00 0.00 66.02 64.09 2hiy s SER 75 CO -0.02 0.28 0.03 -0.22 0.41 0.00 0.00 173.24 173.72 2hiy s LEU 76 N -0.54 0.55 0.03 2.44 2.96 -1.26 -0.80 118.68 122.06 2hiy s LEU 76 Ca 0.18 -0.21 -0.06 0.00 -0.22 0.00 0.00 54.13 53.82 2hiy s LEU 76 Cb -0.14 -0.38 -0.01 0.00 0.50 0.00 0.00 46.19 46.17 2hiy s LEU 76 CO 0.07 -0.24 0.11 -1.48 -1.32 0.00 0.00 176.35 173.49 2hiy s LEU 77 N 2.02 1.70 0.48 -0.68 0.05 -0.42 -4.96 118.68 116.87 2hiy s LEU 77 Ca 0.04 -0.41 0.03 0.00 0.05 0.00 0.00 54.13 53.84 2hiy s LEU 77 Cb -0.13 0.63 0.01 0.00 -2.05 0.00 0.00 46.19 44.65 2hiy s LEU 77 CO -0.06 -0.46 0.68 -0.94 -0.55 0.00 0.00 176.35 175.03 2hiy s SER 78 N -1.84 5.57 0.21 1.48 1.04 -1.26 -0.34 113.70 118.55 2hiy s SER 78 Ca -0.09 -0.02 -0.09 0.00 0.48 0.00 0.00 55.95 56.24 2hiy s SER 78 Cb -0.04 -1.06 0.25 0.00 0.10 0.00 0.00 66.02 65.27 2hiy s SER 78 CO -0.02 -0.88 1.80 0.25 0.98 0.00 0.00 173.24 175.36 2hiy h LEU 79 N 0.34 0.51 -0.66 2.42 5.85 -1.47 -0.86 115.31 121.45 2hiy h LEU 79 Ca -0.43 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.33 2hiy h LEU 79 Cb 1.28 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.21 2hiy h LEU 79 CO 0.52 0.32 0.43 -0.08 -0.34 0.00 0.00 178.44 179.30 2hiy h GLU 80 N 0.65 0.87 -0.34 1.25 4.81 -1.94 0.11 114.58 119.99 2hiy h GLU 80 Ca 0.30 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.52 2hiy h GLU 80 Cb 0.22 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.37 2hiy h GLU 80 CO -0.20 0.58 0.11 -0.44 -0.73 0.00 0.00 179.01 178.33 2hiy h ASP 81 N 0.89 0.12 -0.48 1.04 3.32 -1.76 -1.70 116.42 117.85 2hiy h ASP 81 Ca 0.24 0.04 -0.07 0.00 0.02 0.00 0.00 57.03 57.26 2hiy h ASP 81 Cb -0.09 0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 2hiy h ASP 81 CO -0.05 0.10 0.02 0.15 -1.72 0.00 0.00 179.24 177.75 2hiy h PHE 82 N 0.25 0.89 -0.64 4.55 3.57 -0.46 -1.93 116.94 123.18 2hiy h PHE 82 Ca 0.15 -0.15 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 2hiy h PHE 82 Cb 0.13 -0.24 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 2hiy h PHE 82 CO -0.14 0.84 0.38 0.93 -2.23 0.00 0.00 178.31 178.09 2hiy h GLU 83 N 0.68 0.86 -0.55 1.11 5.08 -0.68 -0.75 114.58 120.33 2hiy h GLU 83 Ca 0.14 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 2hiy h GLU 83 Cb 0.47 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 2hiy h GLU 83 CO 0.02 0.61 0.20 0.00 -1.00 0.00 0.00 179.01 178.83 2hiy h ALA 84 N 1.54 0.71 -0.64 3.43 0.00 -1.03 -2.51 119.26 120.77 2hiy h ALA 84 Ca 0.23 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2hiy h ALA 84 Cb -0.03 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 2hiy h ALA 84 CO -0.04 0.35 0.35 1.49 0.00 0.00 0.00 179.25 181.39 2hiy h GLU 85 N 0.75 0.88 0.00 0.00 4.57 -0.55 -2.17 114.58 118.06 2hiy h GLU 85 Ca 0.18 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 2hiy h GLU 85 Cb 0.24 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 2hiy h GLU 85 CO -0.01 0.65 0.00 1.28 -1.18 0.00 0.00 179.01 179.74 2hiy n LEU 86 N -4.38 0.51 -0.16 1.64 4.77 -0.37 -1.51 117.00 117.51 2hiy n LEU 86 Ca 0.06 0.64 0.13 0.00 -0.03 0.00 0.00 56.01 56.82 2hiy n LEU 86 Cb 0.10 -0.59 0.48 0.00 -2.33 0.00 0.00 43.42 41.08 2hiy n LEU 86 CO 0.37 -0.55 0.75 -0.62 -1.33 0.00 0.00 177.39 176.01 2hiy n GLU 87 N -2.08 0.68 -2.75 3.23 -0.58 -0.82 -4.20 120.64 114.12 2hiy n GLU 87 Ca 0.02 -0.32 -0.13 0.00 -0.42 0.00 0.00 57.16 56.31 2hiy n GLU 87 Cb 0.19 -1.49 0.01 0.00 -0.57 0.00 0.00 31.44 29.58 2hiy n GLU 87 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2hiy n ASN 88 N -0.88 1.72 -4.74 1.62 5.15 -0.57 -5.09 115.26 112.48 2hiy n ASN 88 Ca 0.13 -2.89 -0.41 0.00 -0.60 0.00 0.00 54.58 50.81 2hiy n ASN 88 Cb 0.31 -0.54 -0.05 0.00 -0.53 0.00 0.00 39.78 38.97 2hiy n ASN 88 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2hiy s LEU 89 N -3.04 4.55 0.59 1.20 1.43 -1.24 -5.02 118.68 117.16 2hiy s LEU 89 Ca 0.32 1.83 -0.20 0.00 -1.03 0.00 0.00 54.13 55.05 2hiy s LEU 89 Cb 0.43 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 43.05 2hiy s LEU 89 CO -0.01 0.03 1.31 -2.65 0.23 0.00 0.00 176.35 175.26 2hiy n PRO 90 N 2.28 1.43 0.16 1.29 -0.02 -1.26 -4.88 135.00 134.00 2hiy n PRO 90 Ca 0.00 0.54 0.04 0.00 -2.02 0.00 0.00 63.50 62.05 2hiy n PRO 90 Cb 0.48 -2.54 0.44 0.00 -0.02 0.00 0.00 33.50 31.86 2hiy n PRO 90 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2hiy h ALA 91 N 1.03 1.59 0.00 3.55 0.00 -2.03 -1.41 119.26 121.99 2hiy h ALA 91 Ca -0.51 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.21 2hiy h ALA 91 Cb 1.32 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2hiy h ALA 91 CO 0.55 0.30 0.00 0.11 0.00 0.00 0.00 179.25 180.21 2hiy h TRP 92 N 0.13 0.00 0.00 0.00 5.08 -1.98 -3.14 115.95 116.04 2hiy h TRP 92 Ca 0.03 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.99 2hiy h TRP 92 Cb 0.35 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.51 2hiy h TRP 92 CO 0.00 0.00 -0.02 2.35 -1.28 0.00 0.00 178.44 179.50 2hiy h TRP 93 N 0.00 0.00 -0.02 0.12 2.91 -1.61 -2.20 115.95 115.16 2hiy h TRP 93 Ca 0.00 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.02 2hiy h TRP 93 Cb 0.62 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.27 2hiy h TRP 93 CO 0.00 0.02 -0.04 0.43 -1.03 0.00 0.00 178.44 177.82 2hiy n SER 94 N -3.34 2.03 -4.95 2.65 7.64 -1.18 -4.96 113.62 111.50 2hiy n SER 94 Ca -0.02 -1.64 -0.23 0.00 1.01 0.00 0.00 58.87 57.98 2hiy n SER 94 Cb 0.12 0.03 0.01 0.00 -1.01 0.00 0.00 64.21 63.35 2hiy n SER 94 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 2hiy s ARG 95 N -2.05 3.14 -0.94 1.43 0.52 -0.83 -4.99 118.95 115.23 2hiy s ARG 95 Ca 0.33 -0.46 -0.08 0.00 -0.52 0.00 0.00 55.73 55.00 2hiy s ARG 95 Cb 0.20 -2.57 -0.14 0.00 0.52 0.00 0.00 34.95 32.96 2hiy s ARG 95 CO 0.34 -0.20 3.18 -0.25 0.02 0.00 0.00 175.30 178.39 2hiy n ASP 96 N -2.03 7.28 -4.75 0.23 8.00 -1.26 -4.94 116.55 119.08 2hiy n ASP 96 Ca 0.00 -2.60 -0.33 0.00 0.71 0.00 0.00 54.79 52.58 2hiy n ASP 96 Cb 0.57 -1.48 0.07 0.00 -0.02 0.00 0.00 41.12 40.27 2hiy n ASP 96 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2hiy s LEU 97 N -0.13 3.28 0.20 0.64 1.02 -1.26 -4.91 118.68 117.52 2hiy s LEU 97 Ca 0.67 2.08 -0.11 0.00 0.02 0.00 0.00 54.13 56.80 2hiy s LEU 97 Cb 0.24 -4.56 0.19 0.00 0.02 0.00 0.00 46.19 42.09 2hiy s LEU 97 CO -0.05 -1.96 1.80 0.00 0.02 0.00 0.00 176.35 176.16 2hiy h ALA 98 N -0.35 0.79 -3.43 4.21 0.00 -1.31 -3.42 119.26 115.74 2hiy h ALA 98 Ca -0.46 0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.24 2hiy h ALA 98 Cb 1.26 -0.11 -0.29 0.00 0.00 0.00 0.00 17.79 18.65 2hiy h ALA 98 CO 0.52 0.00 -0.61 1.03 0.00 0.00 0.00 179.25 180.19 2hiy s ARG 99 N -6.11 0.10 -0.07 0.00 0.52 -0.78 -4.98 118.95 107.63 2hiy s ARG 99 Ca -0.13 0.20 0.00 0.00 -0.52 0.00 0.00 55.73 55.29 2hiy s ARG 99 Cb 0.15 -0.02 0.02 0.00 0.52 0.00 0.00 34.95 35.62 2hiy s ARG 99 CO 0.75 -0.06 -0.05 0.15 0.02 0.00 0.00 175.30 176.11 2hiy s LYS 100 N 0.41 1.00 0.07 3.54 1.02 -1.26 -0.63 119.74 123.89 2hiy s LYS 100 Ca -0.03 -0.11 0.05 0.00 0.02 0.00 0.00 55.97 55.90 2hiy s LYS 100 Cb -0.04 -1.08 -0.03 0.00 -0.52 0.00 0.00 37.83 36.16 2hiy s LYS 100 CO -0.02 -0.16 -0.15 -0.51 -0.92 0.00 0.00 175.35 173.60 2hiy s ASP 101 N 1.31 1.75 -0.15 2.83 1.01 -0.55 -1.48 116.67 121.40 2hiy s ASP 101 Ca -0.04 -0.62 0.01 0.00 0.71 0.00 0.00 52.55 52.60 2hiy s ASP 101 Cb -0.14 -0.06 -0.00 0.00 1.01 0.00 0.00 42.92 43.73 2hiy s ASP 101 CO -0.02 -0.06 -0.16 0.12 0.21 0.00 0.00 175.17 175.26 2hiy s PHE 102 N -1.25 2.76 -0.54 4.23 5.36 0.72 -0.80 117.98 128.46 2hiy s PHE 102 Ca -0.01 -1.00 -0.16 0.00 -0.96 0.00 0.00 56.93 54.80 2hiy s PHE 102 Cb -0.10 -1.87 0.12 0.00 -0.34 0.00 0.00 43.02 40.84 2hiy s PHE 102 CO 0.02 -0.44 0.52 -0.51 -1.46 0.00 0.00 175.22 173.36 2hiy s LEU 103 N 0.72 6.06 0.09 6.12 1.02 0.09 -1.14 118.68 131.65 2hiy s LEU 103 Ca -0.07 -1.72 -0.30 0.00 0.02 0.00 0.00 54.13 52.05 2hiy s LEU 103 Cb -0.16 -2.22 -0.06 0.00 0.02 0.00 0.00 46.19 43.77 2hiy s LEU 103 CO 0.01 -0.88 1.12 -0.36 0.02 0.00 0.00 176.35 176.26 2hiy s PHE 104 N 1.74 3.55 0.75 0.29 0.08 0.11 -1.10 117.98 123.40 2hiy s PHE 104 Ca 0.04 1.50 -0.13 0.00 0.12 0.00 0.00 56.93 58.46 2hiy s PHE 104 Cb -0.29 -3.30 0.05 0.00 -0.57 0.00 0.00 43.02 38.91 2hiy s PHE 104 CO 0.04 -0.76 1.14 0.71 -0.10 0.00 0.00 175.22 176.25 2hiy s TYR 105 N 0.55 2.26 0.35 0.36 2.02 -0.12 -0.99 117.35 121.77 2hiy s TYR 105 Ca 0.54 1.61 0.09 0.00 -0.37 0.00 0.00 57.07 58.94 2hiy s TYR 105 Cb -0.28 -3.26 -0.05 0.00 -0.40 0.00 0.00 41.96 37.97 2hiy s TYR 105 CO 0.31 -2.19 0.05 0.95 -1.57 0.00 0.00 175.55 173.10 2hiy s THR 106 N -2.41 2.63 0.21 -0.71 -4.23 -1.24 -4.45 115.64 105.44 2hiy s THR 106 Ca 0.68 -1.91 -0.31 0.00 -1.18 0.00 0.00 61.69 58.97 2hiy s THR 106 Cb -0.23 -2.85 -0.11 0.00 1.34 0.00 0.00 72.50 70.66 2hiy s THR 106 CO 0.49 -0.17 1.58 -1.61 -0.54 0.00 0.00 174.62 174.36 2hiy s GLU 107 N -3.75 4.19 0.00 3.99 0.41 -0.17 -2.03 118.70 121.34 2hiy s GLU 107 Ca 0.36 2.43 0.00 0.00 -0.41 0.00 0.00 54.97 57.35 2hiy s GLU 107 Cb 0.00 -3.11 0.00 0.00 -1.78 0.00 0.00 34.13 29.24 2hiy s GLU 107 CO 0.20 -0.60 0.00 0.41 -0.49 0.00 0.00 175.26 174.78 2hiy n GLY 108 N 3.26 1.21 3.76 -1.39 0.00 -1.26 -4.81 105.19 105.96 2hiy n GLY 108 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 2hiy n GLY 108 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2hiy s LEU 109 N 0.00 4.44 -1.15 0.99 2.96 -0.86 -4.91 118.68 120.14 2hiy s LEU 109 Ca 0.00 2.58 -0.20 0.00 -0.22 0.00 0.00 54.13 56.29 2hiy s LEU 109 Cb 0.00 -3.64 0.07 0.00 0.50 0.00 0.00 46.19 43.12 2hiy s LEU 109 CO 0.00 -0.50 1.57 -0.62 -1.32 0.00 0.00 176.35 175.48 2hiy s ASP 110 N -0.28 6.69 0.29 3.68 -1.08 -1.26 -4.83 116.67 119.88 2hiy s ASP 110 Ca 0.51 -2.00 -0.02 0.00 -0.52 0.00 0.00 52.55 50.52 2hiy s ASP 110 Cb -0.38 -2.56 0.42 0.00 -1.46 0.00 0.00 42.92 38.94 2hiy s ASP 110 CO 0.48 -1.30 1.92 0.58 0.52 0.00 0.00 175.17 177.36 2hiy h VAL 111 N 6.11 1.22 -0.45 1.11 2.07 -1.97 -1.82 116.25 122.51 2hiy h VAL 111 Ca 0.32 -0.52 -0.05 0.00 0.82 0.00 0.00 66.70 67.27 2hiy h VAL 111 Cb 0.94 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 2hiy h VAL 111 CO 1.42 0.24 0.09 0.44 0.02 0.00 0.00 177.57 179.78 2hiy h ASP 112 N 1.02 0.64 0.06 0.57 3.32 -2.00 -0.08 116.42 119.94 2hiy h ASP 112 Ca 0.26 -0.11 -0.17 0.00 0.02 0.00 0.00 57.03 57.03 2hiy h ASP 112 Cb 0.01 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.39 2hiy h ASP 112 CO -0.04 0.64 -0.62 -0.61 -1.72 0.00 0.00 179.24 176.89 2hiy h GLN 113 N 0.66 0.55 -0.50 3.56 5.75 -1.80 -1.45 115.11 121.89 2hiy h GLN 113 Ca 0.15 -0.38 0.04 0.00 -0.15 0.00 0.00 58.65 58.30 2hiy h GLN 113 Cb 0.28 0.06 -0.04 0.00 1.07 0.00 0.00 27.48 28.84 2hiy h GLN 113 CO 0.00 1.00 0.27 0.28 -2.65 0.00 0.00 178.83 177.72 2hiy h VAL 114 N 0.41 0.99 -0.53 2.39 2.07 -0.79 0.19 116.25 120.99 2hiy h VAL 114 Ca -0.01 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 2hiy h VAL 114 Cb 1.18 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 2hiy h VAL 114 CO 0.12 0.10 0.25 0.40 0.02 0.00 0.00 177.57 178.45 2hiy h ILE 115 N 0.53 1.20 -0.74 4.57 2.04 -0.88 0.58 117.51 124.80 2hiy h ILE 115 Ca 0.21 -0.57 -0.02 0.00 1.00 0.00 0.00 64.86 65.48 2hiy h ILE 115 Cb 0.09 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 2hiy h ILE 115 CO -0.13 0.23 0.41 0.00 0.00 0.00 0.00 178.15 178.65 2hiy h ALA 116 N 1.09 0.95 -0.24 1.87 0.00 -0.86 0.81 119.26 122.89 2hiy h ALA 116 Ca 0.18 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2hiy h ALA 116 Cb 0.13 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2hiy h ALA 116 CO -0.02 0.47 0.11 1.15 0.00 0.00 0.00 179.25 180.96 2hiy h THR 117 N 1.03 1.15 -0.66 0.00 2.02 -0.45 -2.38 112.91 113.61 2hiy h THR 117 Ca 0.26 -0.43 -0.06 0.00 0.77 0.00 0.00 66.41 66.96 2hiy h THR 117 Cb 0.04 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.42 2hiy h THR 117 CO -0.04 0.15 0.20 0.58 0.37 0.00 0.00 175.52 176.77 2hiy h VAL 118 N 0.24 1.25 0.00 3.16 2.07 -0.58 -2.27 116.25 120.14 2hiy h VAL 118 Ca 0.08 -0.88 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 2hiy h VAL 118 Cb 0.13 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 2hiy h VAL 118 CO -0.01 0.34 -0.03 -0.33 0.02 0.00 0.00 177.57 177.56 2hiy h GLU 119 N 0.97 0.00 0.00 1.57 5.08 -0.68 -1.66 114.58 119.86 2hiy h GLU 119 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 2hiy h GLU 119 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2hiy h GLU 119 CO -0.00 0.03 0.00 0.66 -1.00 0.00 0.00 179.01 178.70 2hiy h SER 120 N 0.00 0.00 -3.71 1.42 4.64 -0.87 -3.46 113.55 111.57 2hiy h SER 120 Ca -0.00 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.82 2hiy h SER 120 Cb 0.21 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.28 2hiy h SER 120 CO 0.00 0.00 0.34 -0.76 -0.87 0.00 0.00 176.83 175.54 2hiy s LEU 121 N -4.73 4.63 -0.54 5.97 1.43 -0.63 -5.00 118.68 119.82 2hiy s LEU 121 Ca 0.07 1.91 -0.25 0.00 -1.03 0.00 0.00 54.13 54.83 2hiy s LEU 121 Cb 0.10 -3.58 0.04 0.00 0.03 0.00 0.00 46.19 42.78 2hiy s LEU 121 CO 0.52 0.14 0.96 -0.70 0.23 0.00 0.00 176.35 177.51 2hiy s GLU 122 N -1.06 3.38 0.46 1.70 2.12 -1.26 -5.01 118.70 119.03 2hiy s GLU 122 Ca 0.41 -0.14 -0.22 0.00 0.36 0.00 0.00 54.97 55.39 2hiy s GLU 122 Cb -0.25 -4.03 -0.09 0.00 0.26 0.00 0.00 34.13 30.02 2hiy s GLU 122 CO 0.31 -1.46 1.05 -0.51 -0.54 0.00 0.00 175.26 174.11 2hiy s LEU 123 N 4.01 3.95 0.00 2.70 1.43 -1.26 -4.41 118.68 125.10 2hiy s LEU 123 Ca 0.33 1.98 0.00 0.00 -1.03 0.00 0.00 54.13 55.41 2hiy s LEU 123 Cb -0.12 -4.42 0.00 0.00 0.03 0.00 0.00 46.19 41.68 2hiy s LEU 123 CO 0.21 -0.69 0.00 0.29 0.23 0.00 0.00 176.35 176.39 2hiy n LYS 124 N -0.65 0.00 -2.30 1.70 4.76 -1.26 -4.96 118.16 115.45 2hiy n LYS 124 Ca 0.08 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.10 2hiy n LYS 124 Cb 0.51 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.71 2hiy n LYS 124 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2hiy n ASP 125 N 0.00 5.82 -3.70 4.39 2.03 -1.26 -4.81 116.55 119.03 2hiy n ASP 125 Ca 0.00 -3.14 -0.08 0.00 0.52 0.00 0.00 54.79 52.09 2hiy n ASP 125 Cb 0.00 -1.44 -0.02 0.00 -0.72 0.00 0.00 41.12 38.94 2hiy n ASP 125 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 2hiy s GLU 126 N -0.18 1.46 -0.03 -0.67 -1.05 -1.26 -2.10 118.70 114.86 2hiy s GLU 126 Ca 0.42 -0.74 -0.06 0.00 -0.15 0.00 0.00 54.97 54.44 2hiy s GLU 126 Cb 0.11 0.54 0.01 0.00 -0.44 0.00 0.00 34.13 34.36 2hiy s GLU 126 CO -0.01 -0.66 0.15 0.54 0.95 0.00 0.00 175.26 176.23 2hiy s VAL 127 N -3.68 0.04 0.04 1.83 0.11 -0.04 -5.00 120.40 113.70 2hiy s VAL 127 Ca 0.08 -0.31 -0.03 0.00 -2.93 0.00 0.00 61.98 58.79 2hiy s VAL 127 Cb -0.03 -0.32 -0.02 0.00 -1.53 0.00 0.00 36.38 34.47 2hiy s VAL 127 CO -0.00 -0.17 0.02 -1.48 -3.33 0.00 0.00 175.10 170.14 2hiy s LEU 128 N -0.57 2.15 -0.03 2.54 0.05 -1.26 -0.38 118.68 121.18 2hiy s LEU 128 Ca -0.07 -0.71 -0.01 0.00 0.05 0.00 0.00 54.13 53.40 2hiy s LEU 128 Cb -0.04 0.35 0.03 0.00 -2.05 0.00 0.00 46.19 44.47 2hiy s LEU 128 CO 0.01 -0.50 0.05 -0.47 -0.55 0.00 0.00 176.35 174.89 2hiy s TYR 129 N -2.87 -0.02 -0.50 3.48 5.04 -0.16 -4.99 117.35 117.33 2hiy s TYR 129 Ca -0.03 0.19 -0.26 0.00 -2.44 0.00 0.00 57.07 54.53 2hiy s TYR 129 Cb 0.00 -0.17 0.03 0.00 0.35 0.00 0.00 41.96 42.18 2hiy s TYR 129 CO -0.06 -0.09 0.98 -0.06 -1.34 0.00 0.00 175.55 174.98 2hiy s PHE 130 N 0.92 2.84 0.04 4.97 0.08 -1.26 -1.11 117.98 124.46 2hiy s PHE 130 Ca -0.08 0.31 -0.00 0.00 0.12 0.00 0.00 56.93 57.28 2hiy s PHE 130 Cb -0.11 -4.10 0.01 0.00 -0.57 0.00 0.00 43.02 38.25 2hiy s PHE 130 CO -0.03 -1.24 0.06 0.41 -0.10 0.00 0.00 175.22 174.32 2hiy n GLY 131 N 4.99 0.57 0.11 4.36 0.00 0.55 -5.00 105.19 110.76 2hiy n GLY 131 Ca 0.06 -1.93 -0.17 0.00 0.00 0.00 0.00 46.02 43.98 2hiy n GLY 131 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2hiy h LYS 132 N 0.00 0.31 -0.01 1.61 3.64 -1.95 -3.34 116.57 116.83 2hiy h LYS 132 Ca -0.02 -0.51 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 2hiy h LYS 132 Cb 0.07 0.19 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 2hiy h LYS 132 CO 0.02 1.24 -0.48 1.28 -2.27 0.00 0.00 179.45 179.24 2hiy n LEU 133 N -3.57 1.65 0.00 5.20 4.77 -1.26 -4.99 117.00 118.81 2hiy n LEU 133 Ca -0.09 -0.60 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 2hiy n LEU 133 Cb 1.02 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 42.08 2hiy n LEU 133 CO 0.55 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.53 2hiy n GLY 134 N 1.41 -1.07 3.33 -0.72 0.00 -1.25 -0.95 105.19 105.94 2hiy n GLY 134 Ca 0.09 -1.14 -0.34 0.00 0.00 0.00 0.00 46.02 44.63 2hiy n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2hiy s ILE 135 N -3.00 3.20 -0.00 -0.61 1.01 -0.26 -0.33 121.20 121.20 2hiy s ILE 135 Ca 0.00 -0.58 -0.29 0.00 0.00 0.00 0.00 60.65 59.79 2hiy s ILE 135 Cb 0.00 -2.41 -0.03 0.00 0.01 0.00 0.00 42.46 40.03 2hiy s ILE 135 CO 0.00 0.47 0.92 -0.36 0.00 0.00 0.00 174.94 175.98 2hiy s PHE 136 N 0.97 3.66 -0.19 3.97 0.08 -0.27 -0.73 117.98 125.47 2hiy s PHE 136 Ca -0.01 1.62 -0.04 0.00 0.12 0.00 0.00 56.93 58.62 2hiy s PHE 136 Cb -0.15 -3.05 0.08 0.00 -0.57 0.00 0.00 43.02 39.33 2hiy s PHE 136 CO -0.00 0.03 0.16 -0.46 -0.10 0.00 0.00 175.22 174.85 2hiy s TRP 137 N 0.87 -0.05 -0.09 0.36 -0.11 0.02 -0.99 118.94 118.95 2hiy s TRP 137 Ca 0.49 -0.04 -0.02 0.00 1.22 0.00 0.00 56.10 57.74 2hiy s TRP 137 Cb -0.21 -0.52 -0.03 0.00 -1.50 0.00 0.00 33.47 31.21 2hiy s TRP 137 CO 0.26 -0.56 0.01 0.20 -4.62 0.00 0.00 176.95 172.24 2hiy s GLY 138 N 2.24 1.87 -0.13 5.86 0.00 0.48 -1.48 107.32 116.17 2hiy s GLY 138 Ca 0.05 -0.79 0.02 0.00 0.00 0.00 0.00 44.72 44.00 2hiy s GLY 138 CO -0.11 -0.54 -0.20 0.54 0.00 0.00 0.00 173.10 172.79 2hiy s LYS 139 N -0.86 3.11 0.16 2.90 3.01 0.19 -0.86 119.74 127.40 2hiy s LYS 139 Ca 0.13 -0.82 0.05 0.00 -1.01 0.00 0.00 55.97 54.31 2hiy s LYS 139 Cb -0.11 -2.44 -0.04 0.00 -1.01 0.00 0.00 37.83 34.23 2hiy s LYS 139 CO 0.02 0.10 1.36 0.74 0.51 0.00 0.00 175.35 178.08 2hiy h PHE 140 N 7.00 0.16 -3.13 3.18 0.04 -1.71 -2.00 116.94 120.48 2hiy h PHE 140 Ca -0.26 -0.10 -0.17 0.00 2.80 0.00 0.00 57.97 60.24 2hiy h PHE 140 Cb 1.21 -0.01 -0.26 0.00 2.20 0.00 0.00 35.95 39.08 2hiy h PHE 140 CO 0.48 0.95 -0.45 0.45 -0.60 0.00 0.00 178.31 179.14 2hiy s SER 141 N -6.86 -0.25 0.39 2.17 0.15 -1.26 -2.82 113.70 105.22 2hiy s SER 141 Ca -0.01 0.49 0.06 0.00 0.70 0.00 0.00 55.95 57.19 2hiy s SER 141 Cb 0.10 0.47 0.79 0.00 -1.71 0.00 0.00 66.02 65.67 2hiy s SER 141 CO 0.82 -0.10 2.01 -0.33 1.20 0.00 0.00 173.24 176.84 2hiy h GLU 142 N 6.03 0.54 -0.60 5.44 4.39 -1.93 -1.14 114.58 127.31 2hiy h GLU 142 Ca -0.28 -0.05 -0.02 0.00 0.34 0.00 0.00 59.36 59.34 2hiy h GLU 142 Cb 1.19 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.70 2hiy h GLU 142 CO 0.36 0.41 0.28 1.49 -1.16 0.00 0.00 179.01 180.39 2hiy h GLU 143 N 0.55 0.85 -0.02 2.33 4.81 -2.02 -3.06 114.58 118.02 2hiy h GLU 143 Ca 0.14 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 2hiy h GLU 143 Cb 0.04 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.26 2hiy h GLU 143 CO -0.02 0.67 -0.21 -1.13 -0.73 0.00 0.00 179.01 177.59 2hiy n SER 144 N -4.35 2.22 -0.30 1.04 3.41 -1.06 -4.63 113.62 109.96 2hiy n SER 144 Ca 0.05 -1.61 0.03 0.00 -0.26 0.00 0.00 58.87 57.08 2hiy n SER 144 Cb 0.14 0.25 0.16 0.00 -0.26 0.00 0.00 64.21 64.50 2hiy n SER 144 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 2hiy h TYR 145 N 2.97 0.89 0.00 7.33 3.20 -1.10 -0.98 116.97 129.27 2hiy h TYR 145 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2hiy h TYR 145 Cb 0.73 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.73 2hiy h TYR 145 CO 0.00 0.38 0.00 -1.13 -1.64 0.00 0.00 178.16 175.77 2hiy n SER 146 N -4.71 0.05 -0.79 -2.11 3.41 -1.26 -1.48 113.62 106.72 2hiy n SER 146 Ca 0.13 0.51 0.13 0.00 -0.26 0.00 0.00 58.87 59.38 2hiy n SER 146 Cb 0.26 -0.52 0.25 0.00 -0.26 0.00 0.00 64.21 63.94 2hiy n SER 146 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2hiy n LYS 147 N -1.55 2.10 -2.32 4.33 5.02 -0.38 -4.64 118.16 120.71 2hiy n LYS 147 Ca 0.03 -1.59 -0.33 0.00 -2.02 0.00 0.00 58.31 54.40 2hiy n LYS 147 Cb 0.18 -1.47 -0.02 0.00 -0.02 0.00 0.00 35.03 33.70 2hiy n LYS 147 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2hiy s THR 148 N -1.99 4.08 0.31 -0.18 -4.23 -0.55 -4.71 115.64 108.37 2hiy s THR 148 Ca 0.32 1.08 0.00 0.00 -1.18 0.00 0.00 61.69 61.91 2hiy s THR 148 Cb 0.20 -3.52 0.19 0.00 1.34 0.00 0.00 72.50 70.71 2hiy s THR 148 CO 0.31 -0.49 1.89 0.00 -0.54 0.00 0.00 174.62 175.79 2hiy h ALA 149 N 0.94 1.33 -0.34 3.99 0.00 -1.89 -0.58 119.26 122.71 2hiy h ALA 149 Ca -0.48 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 54.35 2hiy h ALA 149 Cb 1.21 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.71 2hiy h ALA 149 CO 0.59 0.50 -0.03 -0.92 0.00 0.00 0.00 179.25 179.39 2hiy h TYR 150 N 0.79 -0.08 -0.13 0.00 3.20 -1.92 0.12 116.97 118.95 2hiy h TYR 150 Ca 0.19 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 62.00 2hiy h TYR 150 Cb 0.17 0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.53 2hiy h TYR 150 CO 0.01 -0.10 -0.24 1.25 -1.64 0.00 0.00 178.16 177.44 2hiy h HIS 151 N 0.06 0.49 0.00 -3.82 2.76 -1.74 -3.10 115.15 109.79 2hiy h HIS 151 Ca 0.17 -0.17 -0.18 0.00 -2.20 0.00 0.00 60.37 57.98 2hiy h HIS 151 Cb 0.24 -0.09 -0.03 0.00 1.55 0.00 0.00 27.41 29.08 2hiy h HIS 151 CO -0.27 0.86 -0.87 0.87 -1.30 0.00 0.00 177.93 177.22 2hiy h LYS 152 N -0.02 0.00 0.00 5.26 1.57 -0.93 -3.39 116.57 119.06 2hiy h LYS 152 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2hiy h LYS 152 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.14 2hiy h LYS 152 CO 0.05 0.87 -0.53 0.66 -0.57 0.00 0.00 179.45 179.93 2hiy n TYR 153 N -3.43 0.00 -0.18 -1.35 4.01 0.39 -4.73 117.16 111.87 2hiy n TYR 153 Ca -0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 57.90 57.73 2hiy n TYR 153 Cb 0.85 -0.02 0.21 0.00 -0.31 0.00 0.00 39.34 40.06 2hiy n TYR 153 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 2hiy h LEU 154 N 0.00 0.84 -0.36 7.72 3.38 -1.58 0.40 115.31 125.72 2hiy h LEU 154 Ca 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2hiy h LEU 154 Cb 0.07 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.61 2hiy h LEU 154 CO 0.00 0.71 0.00 0.18 0.09 0.00 0.00 178.44 179.42 2hiy n LEU 155 N -4.34 0.32 -0.16 1.67 4.77 -1.26 -2.52 117.00 115.47 2hiy n LEU 155 Ca 0.06 0.58 0.13 0.00 -0.03 0.00 0.00 56.01 56.75 2hiy n LEU 155 Cb 0.13 -0.54 0.41 0.00 -2.33 0.00 0.00 43.42 41.09 2hiy n LEU 155 CO 0.38 -0.42 0.67 0.29 -1.33 0.00 0.00 177.39 176.99 2hiy n LYS 156 N -1.85 0.60 -3.50 3.23 5.02 0.12 -4.93 118.16 116.85 2hiy n LYS 156 Ca 0.03 -0.32 -0.34 0.00 -2.02 0.00 0.00 58.31 55.65 2hiy n LYS 156 Cb 0.19 -1.49 -0.05 0.00 -0.02 0.00 0.00 35.03 33.65 2hiy n LYS 156 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2hiy s VAL 157 N -2.61 5.01 0.43 -0.18 -7.23 -1.05 -4.98 120.40 109.80 2hiy s VAL 157 Ca 0.22 0.54 0.33 0.00 -1.81 0.00 0.00 61.98 61.27 2hiy s VAL 157 Cb 0.19 -3.67 0.36 0.00 0.56 0.00 0.00 36.38 33.82 2hiy s VAL 157 CO 0.55 0.23 2.15 -0.65 -0.31 0.00 0.00 175.10 177.06 2hiy h PRO 158 N 3.52 0.00 -0.01 4.82 0.11 -1.91 -3.04 132.00 135.48 2hiy h PRO 158 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2hiy h PRO 158 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2hiy h PRO 158 CO 0.67 0.06 -0.03 1.97 -0.21 0.00 0.00 178.00 180.46 2hiy n PHE 159 N -3.40 0.00 -0.32 0.65 1.16 -1.26 -4.49 117.46 109.81 2hiy n PHE 159 Ca -0.02 0.00 0.03 0.00 -1.87 0.00 0.00 57.45 55.59 2hiy n PHE 159 Cb 0.20 -0.01 0.17 0.00 -1.61 0.00 0.00 39.48 38.22 2hiy n PHE 159 CO 0.00 0.00 0.00 -0.92 -1.87 0.00 0.00 176.76 173.97 2hiy h TYR 160 N 2.19 0.99 -0.01 2.97 3.20 -1.81 0.12 116.97 124.61 2hiy h TYR 160 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2hiy h TYR 160 Cb 0.49 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.45 2hiy h TYR 160 CO 0.00 0.45 0.00 0.54 -1.64 0.00 0.00 178.16 177.51 2hiy n ARG 161 N -4.65 1.07 -0.29 1.82 1.74 -1.26 -3.15 116.66 111.94 2hiy n ARG 161 Ca 0.14 -0.10 0.08 0.00 -0.77 0.00 0.00 57.85 57.20 2hiy n ARG 161 Cb 0.24 -1.33 0.15 0.00 -1.02 0.00 0.00 32.46 30.51 2hiy n ARG 161 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2hiy n HIS 162 N -0.72 0.00 -4.22 -1.55 8.25 0.40 -4.62 115.22 112.76 2hiy n HIS 162 Ca 0.16 -1.11 -0.13 0.00 -0.26 0.00 0.00 57.72 56.37 2hiy n HIS 162 Cb 0.10 -0.18 -0.10 0.00 1.12 0.00 0.00 29.99 30.93 2hiy n HIS 162 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 2hiy s ILE 163 N -2.83 1.00 -0.23 1.59 -4.36 -1.16 -3.62 121.20 111.58 2hiy s ILE 163 Ca 0.33 -1.98 0.02 0.00 -0.26 0.00 0.00 60.65 58.76 2hiy s ILE 163 Cb 0.30 -1.75 0.05 0.00 1.25 0.00 0.00 42.46 42.31 2hiy s ILE 163 CO -0.01 -0.77 -0.13 -0.89 0.24 0.00 0.00 174.94 173.38 2hiy s THR 164 N -3.33 2.07 -0.14 8.37 2.01 -0.16 -4.79 115.64 119.66 2hiy s THR 164 Ca 0.14 -1.39 -0.14 0.00 0.31 0.00 0.00 61.69 60.60 2hiy s THR 164 Cb 0.03 -2.11 -0.05 0.00 0.01 0.00 0.00 72.50 70.39 2hiy s THR 164 CO -0.01 0.13 0.33 -0.63 -0.69 0.00 0.00 174.62 173.74 2hiy s ILE 165 N 1.19 5.27 0.03 1.82 1.01 -1.26 -0.71 121.20 128.54 2hiy s ILE 165 Ca -0.05 0.63 0.02 0.00 0.00 0.00 0.00 60.65 61.25 2hiy s ILE 165 Cb -0.18 -3.66 -0.02 0.00 0.01 0.00 0.00 42.46 38.61 2hiy s ILE 165 CO -0.07 0.40 -0.07 -0.13 0.00 0.00 0.00 174.94 175.07 2hiy s ARG 166 N 0.35 0.49 0.90 2.79 1.81 -0.29 -4.99 118.95 120.00 2hiy s ARG 166 Ca 0.19 -0.55 -0.12 0.00 -1.72 0.00 0.00 55.73 53.52 2hiy s ARG 166 Cb -0.14 -0.33 0.13 0.00 -0.45 0.00 0.00 34.95 34.16 2hiy s ARG 166 CO 0.06 0.07 1.11 0.54 -0.68 0.00 0.00 175.30 176.40 2hiy s ASN 167 N -1.06 3.57 0.36 0.23 2.20 -1.26 -0.20 114.94 118.78 2hiy s ASN 167 Ca -0.06 1.18 0.05 0.00 -0.94 0.00 0.00 52.86 53.09 2hiy s ASN 167 Cb -0.07 -1.83 0.68 0.00 -2.00 0.00 0.00 41.25 38.03 2hiy s ASN 167 CO 0.00 -2.54 1.96 0.00 -2.94 0.00 0.00 177.10 173.58 2hiy h ALA 168 N -1.48 1.50 -0.77 3.54 0.00 -1.61 0.26 119.26 120.69 2hiy h ALA 168 Ca -0.50 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.24 2hiy h ALA 168 Cb 1.31 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 2hiy h ALA 168 CO 0.59 0.39 0.29 0.87 0.00 0.00 0.00 179.25 181.39 2hiy h LYS 169 N 0.60 1.17 -0.07 0.00 1.79 -1.92 -1.43 116.57 116.71 2hiy h LYS 169 Ca 0.15 -0.23 -0.21 0.00 -2.18 0.00 0.00 60.65 58.18 2hiy h LYS 169 Cb 0.12 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.59 2hiy h LYS 169 CO -0.01 0.96 -0.83 1.15 -1.08 0.00 0.00 179.45 179.64 2hiy h THR 170 N 1.13 1.35 -0.49 -0.16 2.02 -1.75 -1.92 112.91 113.09 2hiy h THR 170 Ca 0.26 -2.20 0.10 0.00 0.77 0.00 0.00 66.41 65.33 2hiy h THR 170 Cb 0.25 2.20 -0.08 0.00 -1.74 0.00 0.00 68.15 68.77 2hiy h THR 170 CO -0.02 0.67 -0.03 0.15 0.37 0.00 0.00 175.52 176.66 2hiy h PHE 171 N 0.34 -0.09 -0.57 3.16 3.57 -0.82 0.60 116.94 123.13 2hiy h PHE 171 Ca -0.06 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.50 2hiy h PHE 171 Cb 1.45 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 40.27 2hiy h PHE 171 CO 0.06 -0.14 0.35 0.22 -2.23 0.00 0.00 178.31 176.58 2hiy h ASP 172 N 0.08 0.58 -0.56 0.41 1.82 -1.03 -2.57 116.42 115.16 2hiy h ASP 172 Ca 0.24 -0.00 -0.10 0.00 -0.39 0.00 0.00 57.03 56.79 2hiy h ASP 172 Cb 0.37 -0.13 -0.02 0.00 0.68 0.00 0.00 39.33 40.23 2hiy h ASP 172 CO -0.43 0.41 -0.02 0.50 -1.61 0.00 0.00 179.24 178.09 2hiy h LYS 173 N 0.70 1.03 -0.60 0.28 1.63 -0.84 -2.07 116.57 116.70 2hiy h LYS 173 Ca 0.22 -0.33 0.10 0.00 -0.85 0.00 0.00 60.65 59.80 2hiy h LYS 173 Cb -0.01 -0.09 -0.08 0.00 -0.60 0.00 0.00 32.23 31.45 2hiy h LYS 173 CO -0.08 1.02 0.17 0.82 -3.45 0.00 0.00 179.45 177.92 2hiy h ILE 174 N 0.94 0.70 -0.64 2.00 2.04 -0.53 -1.14 117.51 120.88 2hiy h ILE 174 Ca 0.16 -0.11 0.01 0.00 1.00 0.00 0.00 64.86 65.92 2hiy h ILE 174 Cb 0.57 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 36.96 2hiy h ILE 174 CO 0.03 0.06 0.42 1.23 0.00 0.00 0.00 178.15 179.89 2hiy h GLY 175 N 0.33 0.90 -1.66 5.37 0.00 -1.16 -1.34 103.07 105.52 2hiy h GLY 175 Ca 0.31 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.31 2hiy h GLY 175 CO -0.35 0.31 0.00 -1.06 0.00 0.00 0.00 176.54 175.44 2hiy n GLN 176 N -4.65 0.10 0.00 4.80 6.02 -0.43 -1.88 117.38 121.33 2hiy n GLN 176 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 2hiy n GLN 176 Cb 0.03 -1.31 0.00 0.00 1.02 0.00 0.00 30.24 29.98 2hiy n GLN 176 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2hiy n LEU 178 N 0.78 0.00 0.14 1.08 4.77 -0.51 -2.01 117.00 121.25 2hiy n LEU 178 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 2hiy n LEU 178 Cb 0.04 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.22 2hiy n LEU 178 CO 0.00 0.00 0.37 0.11 -1.33 0.00 0.00 177.39 176.54 2hiy h LYS 179 N 0.00 0.00 0.00 3.23 1.57 -1.65 -3.46 116.57 116.26 2hiy h LYS 179 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2hiy h LYS 179 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2hiy h LYS 179 CO 0.00 0.00 0.00 1.63 -0.57 0.00 0.00 179.45 180.51